A0A077ZII7_TRITR Loading...

Uncharacterized sensor-like histidine kinase ycf26

AlphaFold DB , UniProt , Accession A0A077ZII7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 560 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	73.3	Confident	82.3	Confident	78 Å²	78	68.5 Å²	68.5	38%	0.384	36%	0.358	S	S	.	.				0	-59.9	0	-163.4	178	147.4	0	0	111.6	Q3 R4 V5 Y92 N94 V113 S115	M1-Q3 VanDerWaalsContact C-N 3.35Å; M1-Q3 PolarHBondContact O-N 2.87Å; M1-R4 WeakPolarHBondContact O-CA 3.39Å; M1-R4 WeakPolarHBondContact O-CB 3.3Å; M1-R4 PolarHBondContact O-N 3.06Å; M1-V5 HydrophobicContact CG-CG2 4.41Å; M1-V5 PolarHBondContact O-N 3.42Å; M1-V5 VanDerWaalsContact O-N 3.09Å; M1-Y92 HydrophobicContact CE-CD1 3.6Å; M1-Y92 HydrophobicContact CE-CE1 4.21Å; M1-Y92 HydrophobicContact SD-CD1 3.64Å; M1-Y92 HydrophobicContact SD-CE1 4.25Å; M1-N94 HydrophobicContact CE-CB 4.49Å; M1-V113 HydrophobicContact CE-CG1 3.77Å; M1-S115 WeakPolarHBondContact CE-OG 3.4Å; M1-S115 WeakPolarHBondContact SD-CB 3.48Å; M1-S115 PolarHBondContact SD-OG 3.22Å
2	N	79.5	Confident	82.5	Confident	59 Å²	59	62.8 Å²	62.8	32%	0.316	33%	0.328	S	S	.	.	H	α-helix	trans	-52.7	-43.3	-177.7	-64.2	-3.8	0	0	0	115.2	R4 V5 A6 Q80 Y92 N94	N2-R4 VanDerWaalsContact C-N 3.26Å; N2-R4 PolarHBondContact O-N 3.46Å; N2-V5 PolarHBondContact O-N 2.95Å; N2-A6 WeakPolarHBondContact O-CB 3.48Å; N2-A6 PolarHBondContact O-N 3.28Å; N2-Q80 PolarHBondContact ND2-OE1 3.04Å; N2-Q80 VanDerWaalsContact ND2-OE1 3.11Å; N2-Y92 PolarHBondContact ND2-OH 3.05Å; N2-Y92 WeakPolarHBondContact OD1-CE1 3.12Å; N2-Y92 PolarHBondContact OD1-OH 3.25Å; N2-Y92 VanDerWaalsContact OD1-OH 3.08Å; N2-N94 PolarHBondContact OD1-ND2 3.09Å
3	Q	79.7	Confident	82.5	Confident	168 Å²	168	58.1 Å²	58.1	79%	0.785	30%	0.303	S	S	*	.	H	α-helix	trans	-61.4	-34.3	175	-75.1	178.3	-27.1	0	0	113.1	M1 L7	M1-Q3 VanDerWaalsContact C-N 3.35Å; M1-Q3 PolarHBondContact O-N 2.87Å; Q3-L7 WeakPolarHBondContact O-CD1 3.24Å; Q3-L7 WeakPolarHBondContact O-CG 3.28Å; Q3-L7 PolarHBondContact O-N 3.47Å; Q3-L7 VanDerWaalsContact O-N 3.14Å
4	R	81.6	Confident	82.4	Confident	112 Å²	112	57.7 Å²	57.7	42%	0.423	31%	0.308	S	S	.	.	H	α-helix	trans	-73	-42.5	-179.9	-167	177	179	179.8	-3	111.1	M1 N2 A6 L7 L8 N34	M1-R4 WeakPolarHBondContact O-CA 3.39Å; M1-R4 WeakPolarHBondContact O-CB 3.3Å; M1-R4 PolarHBondContact O-N 3.06Å; N2-R4 VanDerWaalsContact C-N 3.26Å; N2-R4 PolarHBondContact O-N 3.46Å; R4-A6 VanDerWaalsContact C-N 3.28Å; R4-A6 PolarHBondContact O-N 3.38Å; R4-L7 PolarHBondContact O-N 3.28Å; R4-L8 WeakPolarHBondContact O-CB 3.23Å; R4-L8 PolarHBondContact O-N 3.04Å; R4-N34 PolarHBondContact NH2-O 3.06Å
5	V	83.5	Confident	82.4	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.03	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-39.5	174.2	-175.5	0	0	0	0	110.4	M1 N2 L8 S9 N94 Q96 L111 V113	M1-V5 HydrophobicContact CG-CG2 4.41Å; M1-V5 PolarHBondContact O-N 3.42Å; M1-V5 VanDerWaalsContact O-N 3.09Å; N2-V5 PolarHBondContact O-N 2.95Å; V5-L8 PolarHBondContact O-N 3.3Å; V5-S9 PolarHBondContact O-N 2.97Å; V5-N94 HydrophobicContact CG1-CB 4.49Å; V5-N94 HydrophobicContact CG2-CB 4.43Å; V5-Q96 HydrophobicContact CG1-CB 4.28Å; V5-Q96 PolarHBondContact O-OE1 3.47Å; V5-L111 HydrophobicContact CG1-CD2 3.72Å; V5-L111 HydrophobicContact CG1-CG 4.35Å; V5-V113 HydrophobicContact CB-CG2 4.47Å; V5-V113 HydrophobicContact CG1-CB 4.42Å; V5-V113 HydrophobicContact CG1-CG2 3.73Å; V5-V113 HydrophobicContact CG2-CB 4.12Å; V5-V113 HydrophobicContact CG2-CG1 4.16Å; V5-V113 HydrophobicContact CG2-CG2 3.94Å
6	A	83.8	Confident	82.2	Confident	33 Å²	33	52.7 Å²	52.7	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-66.6	-41.2	178.3	0	0	0	0	0	115.2	N2 R4 L8 S9 T10 Q96	N2-A6 WeakPolarHBondContact O-CB 3.48Å; N2-A6 PolarHBondContact O-N 3.28Å; R4-A6 VanDerWaalsContact C-N 3.28Å; R4-A6 PolarHBondContact O-N 3.38Å; A6-L8 VanDerWaalsContact C-N 3.3Å; A6-S9 PolarHBondContact O-OG 3.08Å; A6-S9 VanDerWaalsContact O-OG 3.1Å; A6-T10 PolarHBondContact O-N 2.95Å; A6-T10 PolarHBondContact O-OG1 2.88Å; A6-T10 VanDerWaalsContact O-OG1 3.08Å; A6-Q96 VanDerWaalsContact CA-CD 3.48Å; A6-Q96 VanDerWaalsContact CA-NE2 3.26Å; A6-Q96 VanDerWaalsContact CB-NE2 3.28Å
7	L	83.7	Confident	81.9	Confident	121 Å²	121	52.2 Å²	52.2	63%	0.634	29%	0.286	S	S	*	.	H	α-helix	trans	-65.9	-37.4	173.5	-73	161.6	0	0	0	111.5	Q3 R4 T10 T11	Q3-L7 WeakPolarHBondContact O-CD1 3.24Å; Q3-L7 WeakPolarHBondContact O-CG 3.28Å; Q3-L7 PolarHBondContact O-N 3.47Å; Q3-L7 VanDerWaalsContact O-N 3.14Å; R4-L7 PolarHBondContact O-N 3.28Å; L7-T10 PolarHBondContact O-N 3.11Å; L7-T11 PolarHBondContact O-N 3.35Å; L7-T11 VanDerWaalsContact O-N 3.14Å; L7-T11 PolarHBondContact O-OG1 3.34Å
8	L	86.2	Confident	81.3	Confident	7 Å²	7	56.6 Å²	56.6	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-66.7	-43.8	178.1	-169.4	60.4	0	0	0	111.2	R4 V5 A6 T10 T11 L12 L31 N34 M42 L111	R4-L8 WeakPolarHBondContact O-CB 3.23Å; R4-L8 PolarHBondContact O-N 3.04Å; V5-L8 PolarHBondContact O-N 3.3Å; A6-L8 VanDerWaalsContact C-N 3.3Å; L8-T10 VanDerWaalsContact C-N 3.29Å; L8-T10 PolarHBondContact O-N 3.2Å; L8-T11 PolarHBondContact O-N 3.05Å; L8-T11 VanDerWaalsContact O-N 3.14Å; L8-L12 HydrophobicContact CG-CD1 3.94Å; L8-L12 HydrophobicContact CG-CG 4.36Å; L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 VanDerWaalsContact O-CG 3.23Å; L8-L12 WeakPolarHBondContact O-CG 3.34Å; L8-L12 PolarHBondContact O-N 3.36Å; L8-L31 HydrophobicContact CD2-CD2 4.24Å; L8-N34 HydrophobicContact CD1-CB 3.92Å; L8-N34 VanDerWaalsContact CD1-ND2 3.35Å; L8-N34 WeakPolarHBondContact CD1-ND2 3.32Å; L8-N34 HydrophobicContact CD2-CB 3.84Å; L8-M42 HydrophobicContact CD2-SD 3.94Å; L8-L111 HydrophobicContact CB-CD2 3.98Å; L8-L111 HydrophobicContact CD2-CD1 4.48Å; L8-L111 HydrophobicContact CD2-CD2 3.98Å; L8-L111 HydrophobicContact CG-CD2 4Å
9	S	84.6	Confident	80.3	Confident	6 Å²	6	61.3 Å²	61.3	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-61.2	-36.8	178.1	82.7	0	0	0	0	112.3	V5 A6 G13 Q96	V5-S9 PolarHBondContact O-N 2.97Å; A6-S9 PolarHBondContact O-OG 3.08Å; A6-S9 VanDerWaalsContact O-OG 3.1Å; S9-G13 PolarHBondContact O-N 2.91Å; S9-Q96 PolarHBondContact OG-NE2 2.92Å
10	T	83.9	Confident	79.4	Confident	102 Å²	102	60.4 Å²	60.4	63%	0.626	33%	0.328	S	S	*	.	H	α-helix	trans	-66.6	-41.1	174.4	-50.5	0	0	0	0	112.3	A6 L7 L8 G13 S14	A6-T10 PolarHBondContact O-N 2.95Å; A6-T10 PolarHBondContact O-OG1 2.88Å; A6-T10 VanDerWaalsContact O-OG1 3.08Å; L7-T10 PolarHBondContact O-N 3.11Å; L8-T10 VanDerWaalsContact C-N 3.29Å; L8-T10 PolarHBondContact O-N 3.2Å; T10-G13 PolarHBondContact O-N 3.3Å; T10-S14 PolarHBondContact O-N 3.18Å
11	T	85.1	Confident	78.8	Confident	63 Å²	63	67.3 Å²	67.3	39%	0.387	36%	0.358	S	S	.	.	H	α-helix	trans	-70.6	-35	179.5	-49.4	0	0	0	0	112	L7 L8 G13 S14 T15 L30	L7-T11 PolarHBondContact O-N 3.35Å; L7-T11 VanDerWaalsContact O-N 3.14Å; L7-T11 PolarHBondContact O-OG1 3.34Å; L8-T11 PolarHBondContact O-N 3.05Å; L8-T11 VanDerWaalsContact O-N 3.14Å; T11-G13 VanDerWaalsContact C-N 3.33Å; T11-S14 PolarHBondContact O-OG 2.79Å; T11-T15 PolarHBondContact O-N 2.73Å; T11-T15 PolarHBondContact O-OG1 3.24Å; T11-L30 HydrophobicContact CG2-CD1 4.15Å; T11-L30 HydrophobicContact CG2-CD2 4.01Å
12	L	85	Confident	78.8	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-66.7	-38.2	172.9	-68.1	165.2	0	0	0	110.8	L8 S14 T15 M16 L27 L30 L31 V44 I98 L111	L8-L12 HydrophobicContact CG-CD1 3.94Å; L8-L12 HydrophobicContact CG-CG 4.36Å; L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 VanDerWaalsContact O-CG 3.23Å; L8-L12 WeakPolarHBondContact O-CG 3.34Å; L8-L12 PolarHBondContact O-N 3.36Å; L12-S14 VanDerWaalsContact C-N 3.34Å; L12-S14 PolarHBondContact O-N 3.34Å; L12-T15 WeakPolarHBondContact O-CB 3.5Å; L12-T15 PolarHBondContact O-N 3.1Å; L12-M16 WeakPolarHBondContact O-CG 3.34Å; L12-M16 PolarHBondContact O-N 3.23Å; L12-L27 HydrophobicContact CB-CD2 4.34Å; L12-L27 HydrophobicContact CD2-CD2 3.5Å; L12-L30 HydrophobicContact CD2-CB 4.05Å; L12-L30 HydrophobicContact CD2-CD1 4.01Å; L12-L31 HydrophobicContact CD1-CD2 4.5Å; L12-V44 HydrophobicContact CD1-CG2 3.65Å; L12-V44 HydrophobicContact CD2-CG2 3.96Å; L12-V44 HydrophobicContact CG-CG2 4.4Å; L12-I98 HydrophobicContact CB-CD1 4.12Å; L12-I98 HydrophobicContact CD1-CD1 4.36Å; L12-L111 HydrophobicContact CD1-CB 4.25Å; L12-L111 HydrophobicContact CD1-CD1 3.75Å; L12-L111 HydrophobicContact CD1-CD2 3.96Å; L12-L111 HydrophobicContact CD1-CG 4.18Å
13	G	82.9	Confident	78.8	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-60.5	-38.7	176.5	0	0	0	0	0	113.8	S9 T10 T11 T15 A17 P101	S9-G13 PolarHBondContact O-N 2.91Å; T10-G13 PolarHBondContact O-N 3.3Å; T11-G13 VanDerWaalsContact C-N 3.33Å; G13-T15 VanDerWaalsContact C-N 3.32Å; G13-A17 WeakPolarHBondContact O-CB 3.46Å; G13-A17 PolarHBondContact O-N 3.1Å; G13-P101 WeakPolarHBondContact O-CD 3.43Å
14	S	81.3	Confident	78.7	Confident	53 Å²	53	61.9 Å²	61.9	37%	0.371	34%	0.343	S	S	.	.	H	α-helix	trans	-66.8	-33.5	172.9	49.6	0	0	0	0	113.2	T10 T11 L12	T10-S14 PolarHBondContact O-N 3.18Å; T11-S14 PolarHBondContact O-OG 2.79Å; L12-S14 VanDerWaalsContact C-N 3.34Å; L12-S14 PolarHBondContact O-N 3.34Å
15	T	82	Confident	78.6	Confident	14 Å²	14	60.6 Å²	60.6	9%	0.086	34%	0.344	C	S	.	.	H	α-helix	trans	-75.8	-40.7	-178.1	-48.1	0	0	0	0	111.4	T11 L12 G13 A17 E18 Q26 L27 L30	T11-T15 PolarHBondContact O-N 2.73Å; T11-T15 PolarHBondContact O-OG1 3.24Å; L12-T15 WeakPolarHBondContact O-CB 3.5Å; L12-T15 PolarHBondContact O-N 3.1Å; G13-T15 VanDerWaalsContact C-N 3.32Å; T15-A17 PolarHBondContact O-N 3.05Å; T15-E18 PolarHBondContact O-N 3.26Å; T15-Q26 HydrophobicContact CG2-CB 3.49Å; T15-Q26 VanDerWaalsContact CG2-CB 3.49Å; T15-Q26 HydrophobicContact CG2-CG 4.48Å; T15-L27 HydrophobicContact CG2-CD2 3.91Å; T15-L27 HydrophobicContact CG2-CG 4.2Å; T15-L30 HydrophobicContact CG2-CD1 4.31Å; T15-L30 VanDerWaalsContact OG1-CD1 3.23Å; T15-L30 WeakPolarHBondContact OG1-CD1 3.45Å
16	M	79.6	Confident	78.6	Confident	21 Å²	21	63.6 Å²	63.6	10%	0.103	36%	0.358	C	S	.	.	H	α-helix	trans	-67.9	-22.4	177	-69.3	-175	65.5	0	0	113.3	L12 E23 L27 V44 D46 L52 I98 I108	L12-M16 WeakPolarHBondContact O-CG 3.34Å; L12-M16 PolarHBondContact O-N 3.23Å; M16-E23 WeakPolarHBondContact CA-OE1 3.38Å; M16-L27 HydrophobicContact CG-CD1 4Å; M16-L27 HydrophobicContact CG-CD2 3.82Å; M16-V44 HydrophobicContact SD-CG1 4.01Å; M16-D46 HydrophobicContact CE-CB 4.45Å; M16-L52 HydrophobicContact CE-CD1 3.48Å; M16-L52 VanDerWaalsContact CE-CD1 3.48Å; M16-L52 HydrophobicContact CG-CD1 4.49Å; M16-L52 HydrophobicContact SD-CD1 4.19Å; M16-I98 HydrophobicContact SD-CB 4.47Å; M16-I98 HydrophobicContact SD-CD1 3.82Å; M16-I98 HydrophobicContact SD-CG2 3.92Å; M16-I108 HydrophobicContact CB-CD1 3.71Å; M16-I108 WeakPolarHBondContact CE-O 3.41Å
17	A	76	Confident	78.7	Confident	44 Å²	44	62 Å²	62	36%	0.364	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-11.7	179.9	0	0	0	0	0	114.2	G13 T15 D19 P101	G13-A17 WeakPolarHBondContact O-CB 3.46Å; G13-A17 PolarHBondContact O-N 3.1Å; T15-A17 PolarHBondContact O-N 3.05Å; A17-D19 VanDerWaalsContact C-N 3.29Å; A17-D19 PolarHBondContact O-N 3.36Å; A17-P101 HydrophobicContact CB-CG 3.7Å
18	E	71	Confident	78.7	Confident	131 Å²	131	56.6 Å²	56.6	61%	0.612	32%	0.316	S	S	*	.	S	Bend	trans	-79.3	-6	-178.2	-81.8	-175.7	176.1	0	0	113.9	T15 S20	T15-E18 PolarHBondContact O-N 3.26Å; E18-S20 PolarHBondContact O-N 2.86Å
19	D	62.2	Low	78.6	Confident	147 Å²	147	64 Å²	64	79%	0.786	34%	0.344	S	S	*	.			trans	38.1	50.7	174.4	-150.9	14.3	0	0	0	112.7	A17	A17-D19 VanDerWaalsContact C-N 3.29Å; A17-D19 PolarHBondContact O-N 3.36Å
20	S	64	Low	78.6	Confident	42 Å²	42	65.5 Å²	65.5	29%	0.294	35%	0.351	S	S	.	.			trans	-102.3	150.3	-175.9	91.1	0	0	0	0	111.1	E18 N22 E23	E18-S20 PolarHBondContact O-N 2.86Å; S20-N22 PolarHBondContact O-N 3.12Å; S20-N22 PolarHBondContact OG-N 2.75Å; S20-E23 PolarHBondContact O-N 2.97Å; S20-E23 PolarHBondContact OG-N 3.09Å
21	E	66.3	Low	78.7	Confident	206 Å²	206	60.7 Å²	60.7	96%	0.963	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-15.7	173.7	-80.9	-174.6	154.3	0	0	113.6
22	N	73.1	Confident	78.6	Confident	101 Å²	101	61.1 Å²	61.1	54%	0.54	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	13.3	-178.3	-70.8	-31.4	0	0	0	114.5	S20 A24 D25 Q26	S20-N22 PolarHBondContact O-N 3.12Å; S20-N22 PolarHBondContact OG-N 2.75Å; N22-A24 PolarHBondContact O-N 3.4Å; N22-D25 PolarHBondContact O-N 2.83Å; N22-Q26 WeakPolarHBondContact O-CG 3.4Å; N22-Q26 PolarHBondContact O-N 3.17Å
23	E	78.9	Confident	78.5	Confident	38 Å²	38	67.3 Å²	67.3	18%	0.178	35%	0.352	C	S	.	.	H	α-helix	trans	-52.2	-51.6	-177.3	-174.6	-168.1	161.1	0	0	112.6	M16 S20 D25 Q26 L27	M16-E23 WeakPolarHBondContact CA-OE1 3.38Å; S20-E23 PolarHBondContact O-N 2.97Å; S20-E23 PolarHBondContact OG-N 3.09Å; E23-D25 VanDerWaalsContact C-N 3.3Å; E23-D25 PolarHBondContact O-N 3.3Å; E23-Q26 PolarHBondContact O-N 3.19Å; E23-Q26 VanDerWaalsContact O-N 3.11Å; E23-L27 HydrophobicContact CG-CD1 3.99Å; E23-L27 HydrophobicContact CG-CG 4.35Å; E23-L27 WeakPolarHBondContact O-CG 3.42Å; E23-L27 PolarHBondContact O-N 3.48Å
24	A	77.7	Confident	78.5	Confident	53 Å²	53	69.3 Å²	69.3	44%	0.438	36%	0.363	S	S	.	.	H	α-helix	trans	-59.4	-39.3	-178.6	0	0	0	0	0	112.7	N22 Q28	N22-A24 PolarHBondContact O-N 3.4Å; A24-Q28 VanDerWaalsContact O-CB 3.24Å; A24-Q28 WeakPolarHBondContact O-CB 3.33Å; A24-Q28 PolarHBondContact O-N 3.24Å
25	D	80.7	Confident	78.3	Confident	84 Å²	84	69.8 Å²	69.8	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-70.4	-34.4	177.7	-95.1	-1.4	0	0	0	112.2	N22 E23 R29	N22-D25 PolarHBondContact O-N 2.83Å; E23-D25 VanDerWaalsContact C-N 3.3Å; E23-D25 PolarHBondContact O-N 3.3Å; D25-R29 VanDerWaalsContact O-CG 3.3Å; D25-R29 WeakPolarHBondContact O-CG 3.01Å; D25-R29 PolarHBondContact O-N 3.3Å; D25-R29 VanDerWaalsContact O-N 3.08Å
26	Q	83.5	Confident	78.2	Confident	69 Å²	69	70.1 Å²	70.1	32%	0.322	37%	0.37	S	S	.	.	H	α-helix	trans	-69.7	-44.9	174.6	-70.2	179.4	-17.1	0	0	111.6	T15 N22 E23 Q28 R29 L30	T15-Q26 HydrophobicContact CG2-CB 3.49Å; T15-Q26 VanDerWaalsContact CG2-CB 3.49Å; T15-Q26 HydrophobicContact CG2-CG 4.48Å; N22-Q26 WeakPolarHBondContact O-CG 3.4Å; N22-Q26 PolarHBondContact O-N 3.17Å; E23-Q26 PolarHBondContact O-N 3.19Å; E23-Q26 VanDerWaalsContact O-N 3.11Å; Q26-Q28 VanDerWaalsContact C-N 3.33Å; Q26-Q28 PolarHBondContact O-N 2.94Å; Q26-R29 PolarHBondContact O-N 3.03Å; Q26-L30 WeakPolarHBondContact O-CG 3.31Å; Q26-L30 PolarHBondContact O-N 2.74Å
27	L	84.8	Confident	77.9	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-60.4	-43.9	175.7	-65.8	172.9	0	0	0	111.2	L12 T15 M16 E23 R29 L30 L31 V44 L52 A53	L12-L27 HydrophobicContact CB-CD2 4.34Å; L12-L27 HydrophobicContact CD2-CD2 3.5Å; T15-L27 HydrophobicContact CG2-CD2 3.91Å; T15-L27 HydrophobicContact CG2-CG 4.2Å; M16-L27 HydrophobicContact CG-CD1 4Å; M16-L27 HydrophobicContact CG-CD2 3.82Å; E23-L27 HydrophobicContact CG-CD1 3.99Å; E23-L27 HydrophobicContact CG-CG 4.35Å; E23-L27 WeakPolarHBondContact O-CG 3.42Å; E23-L27 PolarHBondContact O-N 3.48Å; L27-R29 PolarHBondContact O-N 3.4Å; L27-L30 PolarHBondContact O-N 2.65Å; L27-L31 PolarHBondContact O-N 3.35Å; L27-V44 HydrophobicContact CD1-CG1 4.3Å; L27-L52 HydrophobicContact CD1-CB 3.85Å; L27-L52 HydrophobicContact CD1-CD1 3.75Å; L27-L52 HydrophobicContact CD1-CG 4.46Å; L27-A53 HydrophobicContact CB-CB 3.73Å
28	Q	84.4	Confident	78.2	Confident	6 Å²	6	75.3 Å²	75.3	3%	0.028	41%	0.408	C	S	.	.	H	α-helix	trans	-58.1	-48	175.8	-174.3	67.5	28.4	0	0	111.6	A24 Q26 L30 L31 E32 A53 T54	A24-Q28 VanDerWaalsContact O-CB 3.24Å; A24-Q28 WeakPolarHBondContact O-CB 3.33Å; A24-Q28 PolarHBondContact O-N 3.24Å; Q26-Q28 VanDerWaalsContact C-N 3.33Å; Q26-Q28 PolarHBondContact O-N 2.94Å; Q28-L30 VanDerWaalsContact C-N 3.32Å; Q28-L30 PolarHBondContact O-N 3.02Å; Q28-L31 PolarHBondContact O-N 2.89Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.46Å; Q28-E32 PolarHBondContact NE2-OE1 2.86Å; Q28-E32 WeakPolarHBondContact O-CG 3.38Å; Q28-E32 PolarHBondContact O-N 2.98Å; Q28-A53 HydrophobicContact CB-CB 4.43Å; Q28-T54 VanDerWaalsContact CD-O 3.25Å; Q28-T54 PolarHBondContact NE2-O 2.94Å; Q28-T54 PolarHBondContact OE1-O 2.78Å; Q28-T54 VanDerWaalsContact OE1-O 3.12Å
29	R	83.6	Confident	78.8	Confident	164 Å²	164	70.1 Å²	70.1	62%	0.619	38%	0.384	S	S	*	.	H	α-helix	trans	-62.3	-37	176.5	-75.4	176.3	-176.5	179	5.4	112.8	D25 Q26 L27 N33	D25-R29 VanDerWaalsContact O-CG 3.3Å; D25-R29 WeakPolarHBondContact O-CG 3.01Å; D25-R29 PolarHBondContact O-N 3.3Å; D25-R29 VanDerWaalsContact O-N 3.08Å; Q26-R29 PolarHBondContact O-N 3.03Å; L27-R29 PolarHBondContact O-N 3.4Å; R29-N33 VanDerWaalsContact O-CB 3.28Å; R29-N33 WeakPolarHBondContact O-CB 3.38Å; R29-N33 VanDerWaalsContact O-CG 3.24Å; R29-N33 PolarHBondContact O-N 3.2Å; R29-N33 PolarHBondContact O-ND2 3.14Å
30	L	85.1	Confident	79.8	Confident	37 Å²	37	66.3 Å²	66.3	19%	0.194	36%	0.361	C	S	.	.	H	α-helix	trans	-66.4	-40.2	177.7	-76.2	173.4	0	0	0	112.2	T11 L12 T15 Q26 L27 Q28 N34	T11-L30 HydrophobicContact CG2-CD1 4.15Å; T11-L30 HydrophobicContact CG2-CD2 4.01Å; L12-L30 HydrophobicContact CD2-CB 4.05Å; L12-L30 HydrophobicContact CD2-CD1 4.01Å; T15-L30 HydrophobicContact CG2-CD1 4.31Å; T15-L30 VanDerWaalsContact OG1-CD1 3.23Å; T15-L30 WeakPolarHBondContact OG1-CD1 3.45Å; Q26-L30 WeakPolarHBondContact O-CG 3.31Å; Q26-L30 PolarHBondContact O-N 2.74Å; L27-L30 PolarHBondContact O-N 2.65Å; Q28-L30 VanDerWaalsContact C-N 3.32Å; Q28-L30 PolarHBondContact O-N 3.02Å; L30-N34 WeakPolarHBondContact O-CB 3.45Å; L30-N34 PolarHBondContact O-N 3.34Å; L30-N34 VanDerWaalsContact O-N 3.17Å; L30-N34 PolarHBondContact O-ND2 3.3Å
31	L	85.3	Confident	80.9	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-67.9	-44.9	174.5	-69.6	-176.7	0	0	0	111.9	L8 L12 L27 Q28 N33 N34 S35 M42 V44 A53 N55 L111	L8-L31 HydrophobicContact CD2-CD2 4.24Å; L12-L31 HydrophobicContact CD1-CD2 4.5Å; L27-L31 PolarHBondContact O-N 3.35Å; Q28-L31 PolarHBondContact O-N 2.89Å; L31-N33 PolarHBondContact O-N 3.14Å; L31-N34 CarbonylContact O-C 3.55Å; L31-N34 PolarHBondContact O-N 2.88Å; L31-S35 PolarHBondContact O-N 2.94Å; L31-M42 HydrophobicContact CB-CE 4.24Å; L31-M42 HydrophobicContact CD2-CB 3.87Å; L31-M42 HydrophobicContact CD2-CE 4.11Å; L31-M42 HydrophobicContact CD2-SD 4.29Å; L31-M42 WeakPolarHBondContact O-CE 3.46Å; L31-V44 HydrophobicContact CD1-CG2 3.85Å; L31-V44 HydrophobicContact CD2-CG2 3.92Å; L31-V44 HydrophobicContact CG-CG2 4.1Å; L31-A53 VanDerWaalsContact CD1-C 3.42Å; L31-A53 HydrophobicContact CD1-CB 3.57Å; L31-A53 WeakPolarHBondContact CD1-O 3.5Å; L31-A53 HydrophobicContact CG-CB 4.44Å; L31-N55 HydrophobicContact CB-CB 4.21Å; L31-L111 HydrophobicContact CD2-CD1 3.97Å
32	E	82.7	Confident	82	Confident	72 Å²	72	56 Å²	56	34%	0.336	31%	0.308	S	S	.	.	H	α-helix	trans	-60.7	-45.8	177.7	-74.6	172.8	-169.5	0	0	111.4	Q28 N34 S35	Q28-E32 WeakPolarHBondContact CG-OE1 3.46Å; Q28-E32 PolarHBondContact NE2-OE1 2.86Å; Q28-E32 WeakPolarHBondContact O-CG 3.38Å; Q28-E32 PolarHBondContact O-N 2.98Å; E32-N34 VanDerWaalsContact C-N 3.25Å; E32-N34 PolarHBondContact O-N 3.47Å; E32-S35 WeakPolarHBondContact O-CB 3.35Å; E32-S35 PolarHBondContact O-N 2.91Å; E32-S35 PolarHBondContact O-OG 3.15Å
33	N	83.6	Confident	82.7	Confident	130 Å²	130	52 Å²	52	70%	0.695	29%	0.285	S	S	*	.	H	α-helix	trans	-67.7	-22.6	177.8	-74.7	-23	0	0	0	113.8	R29 L31	R29-N33 VanDerWaalsContact O-CB 3.28Å; R29-N33 WeakPolarHBondContact O-CB 3.38Å; R29-N33 VanDerWaalsContact O-CG 3.24Å; R29-N33 PolarHBondContact O-N 3.2Å; R29-N33 PolarHBondContact O-ND2 3.14Å; L31-N33 PolarHBondContact O-N 3.14Å
34	N	81.9	Confident	83.1	Confident	44 Å²	44	50.2 Å²	50.2	24%	0.235	28%	0.277	C	S	.	.	H	α-helix	trans	-99.7	3.3	177.7	-79.5	-83.4	0	0	0	114	R4 L8 L30 L31 E32 A36 M42	R4-N34 PolarHBondContact NH2-O 3.06Å; L8-N34 HydrophobicContact CD1-CB 3.92Å; L8-N34 VanDerWaalsContact CD1-ND2 3.35Å; L8-N34 WeakPolarHBondContact CD1-ND2 3.32Å; L8-N34 HydrophobicContact CD2-CB 3.84Å; L30-N34 WeakPolarHBondContact O-CB 3.45Å; L30-N34 PolarHBondContact O-N 3.34Å; L30-N34 VanDerWaalsContact O-N 3.17Å; L30-N34 PolarHBondContact O-ND2 3.3Å; L31-N34 CarbonylContact O-C 3.55Å; L31-N34 PolarHBondContact O-N 2.88Å; E32-N34 VanDerWaalsContact C-N 3.25Å; E32-N34 PolarHBondContact O-N 3.47Å; N34-A36 PolarHBondContact O-N 3.39Å; N34-M42 HydrophobicContact CB-CE 4.37Å
35	S	77.3	Confident	83.6	Confident	63 Å²	63	47.7 Å²	47.7	44%	0.441	26%	0.256	S	S	.	.			trans	-58.9	137.2	169.6	65.1	0	0	0	0	110.3	L31 E32	L31-S35 PolarHBondContact O-N 2.94Å; E32-S35 WeakPolarHBondContact O-CB 3.35Å; E32-S35 PolarHBondContact O-N 2.91Å; E32-S35 PolarHBondContact O-OG 3.15Å
36	A	79.7	Confident	83.9	Confident	21 Å²	21	44.7 Å²	44.7	17%	0.174	24%	0.24	C	C	.	.			trans	-134.8	157	177.1	0	0	0	0	0	108.2	N34 D38 I39	N34-A36 PolarHBondContact O-N 3.39Å; A36-D38 WeakPolarHBondContact CB-OD1 3.49Å; A36-D38 PolarHBondContact O-N 3.14Å; A36-I39 HydrophobicContact CB-CD1 3.87Å; A36-I39 HydrophobicContact CB-CG1 4.1Å; A36-I39 PolarHBondContact O-N 2.87Å
37	A	74.8	Confident	83.9	Confident	117 Å²	117	46 Å²	46	97%	0.967	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-24.6	-175.2	0	0	0	0	0	113.5
38	D	80.8	Confident	83.6	Confident	57 Å²	57	53 Å²	53	31%	0.305	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.8	176.2	59.6	-25.8	0	0	0	113.7	A36 S115 D116	A36-D38 WeakPolarHBondContact CB-OD1 3.49Å; A36-D38 PolarHBondContact O-N 3.14Å; D38-S115 CarbonylContact O-C 3.59Å; D38-S115 VanDerWaalsContact O-C 3.31Å; D38-S115 WeakPolarHBondContact O-CA 3.37Å; D38-S115 WeakPolarHBondContact O-CB 3.23Å; D38-S115 PolarHBondContact O-OG 2.95Å; D38-S115 VanDerWaalsContact O-OG 3.05Å; D38-D116 PolarHBondContact O-N 3.38Å
39	I	84	Confident	83.5	Confident	21 Å²	21	53.2 Å²	53.2	11%	0.108	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	113.5	179.3	-59.1	172	0	0	0	109.6	A36 M42 V113 S115	A36-I39 HydrophobicContact CB-CD1 3.87Å; A36-I39 HydrophobicContact CB-CG1 4.1Å; A36-I39 PolarHBondContact O-N 2.87Å; I39-M42 HydrophobicContact CD1-SD 4.1Å; I39-M42 HydrophobicContact CG2-CE 4.44Å; I39-M42 HydrophobicContact CG2-CG 3.37Å; I39-M42 HydrophobicContact CG2-SD 3.89Å; I39-V113 HydrophobicContact CG1-CG1 4.38Å; I39-V113 HydrophobicContact CG2-CG1 3.93Å; I39-S115 WeakPolarHBondContact CG1-OG 3.42Å
40	K	83.5	Confident	83.6	Confident	68 Å²	68	48 Å²	48	30%	0.296	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-52.6	177.2	-85.3	180	160.4	160.8	0	111.8	D85 V91 K114 D116	K40-D85 IonicContact NZ-OD2 2.97Å; K40-D85 PolarHBondContact NZ-OD2 3.3Å; K40-V91 HydrophobicContact CD-CG1 4.18Å; K40-K114 PolarHBondContact N-O 2.88Å; K40-D116 HydrophobicContact CD-CB 4.2Å; K40-D116 WeakPolarHBondContact CE-OD2 3.37Å; K40-D116 HydrophobicContact CG-CB 4.3Å; K40-D116 IonicContact NZ-OD2 3.14Å; K40-D116 PolarHBondContact NZ-OD2 2.86Å
41	E	86.8	Confident	83.7	Confident	29 Å²	29	46.3 Å²	46.3	14%	0.136	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	139.3	-173.3	-70.2	152.3	-141.7	0	0	109.4	N55 Y112 V113 K114	E41-N55 VanDerWaalsContact CA-OD1 3.32Å; E41-N55 WeakPolarHBondContact CA-OD1 3.2Å; E41-Y112 HydrophobicContact CB-CE1 4.5Å; E41-V113 WeakPolarHBondContact O-CA 3.2Å; E41-K114 HydrophobicContact CB-CB 4.2Å; E41-K114 HydrophobicContact CB-CD 4.29Å; E41-K114 VanDerWaalsContact CD-NZ 3.29Å; E41-K114 HydrophobicContact CG-CD 4.46Å; E41-K114 PolarHBondContact N-O 3.45Å; E41-K114 PolarHBondContact O-N 3.17Å; E41-K114 IonicContact OE1-NZ 3.82Å; E41-K114 PolarHBondContact OE1-NZ 3.15Å; E41-K114 VanDerWaalsContact OE2-CD 3.22Å; E41-K114 WeakPolarHBondContact OE2-CD 3.36Å; E41-K114 IonicContact OE2-NZ 3.25Å; E41-K114 PolarHBondContact OE2-NZ 2.91Å
42	M	89	Confident	83.7	Confident	2 Å²	2	48 Å²	48	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	125	169.4	-61	-168.3	-71.2	0	0	109.5	L8 L31 N34 I39 T54 N55 Y112 V113	L8-M42 HydrophobicContact CD2-SD 3.94Å; L31-M42 HydrophobicContact CB-CE 4.24Å; L31-M42 HydrophobicContact CD2-CB 3.87Å; L31-M42 HydrophobicContact CD2-CE 4.11Å; L31-M42 HydrophobicContact CD2-SD 4.29Å; L31-M42 WeakPolarHBondContact O-CE 3.46Å; N34-M42 HydrophobicContact CB-CE 4.37Å; I39-M42 HydrophobicContact CD1-SD 4.1Å; I39-M42 HydrophobicContact CG2-CE 4.44Å; I39-M42 HydrophobicContact CG2-CG 3.37Å; I39-M42 HydrophobicContact CG2-SD 3.89Å; M42-T54 CarbonylContact O-C 3.58Å; M42-T54 WeakPolarHBondContact O-CA 3.29Å; M42-N55 HydrophobicContact CB-CB 4.1Å; M42-N55 HydrophobicContact CE-CB 3.7Å; M42-N55 HydrophobicContact CG-CB 4.46Å; M42-N55 VanDerWaalsContact N-CG 3.33Å; M42-N55 PolarHBondContact N-OD1 2.75Å; M42-N55 PolarHBondContact O-N 3.01Å; M42-Y112 CarbonylContact C-O 3.59Å; M42-Y112 WeakPolarHBondContact CA-O 3.32Å; M42-V113 HydrophobicContact CG-CB 4.37Å; M42-V113 HydrophobicContact CG-CG1 4.04Å; M42-V113 HydrophobicContact CG-CG2 3.97Å; M42-V113 HydrophobicContact SD-CG1 4.43Å; M42-V113 HydrophobicContact SD-CG2 4.15Å
43	W	88.5	Confident	83.9	Confident	17 Å²	17	44.6 Å²	44.6	6%	0.064	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	141.2	177.4	-57.6	-10.9	0	0	0	110.4	V45 V51 A53 I63 N68 Y70 I73 L111 Y112	W43-V45 HydrophobicContact CB-CG2 4.46Å; W43-V51 HydrophobicContact CB-CG1 4.22Å; W43-V51 HydrophobicContact CE3-CG2 4.22Å; W43-V51 HydrophobicContact CG-CG1 4.49Å; W43-A53 WeakPolarHBondContact CA-O 3.29Å; W43-I63 HydrophobicContact CD2-CG2 4.46Å; W43-I63 HydrophobicContact CH2-CD1 4.27Å; W43-I63 HydrophobicContact CH2-CG2 4.1Å; W43-I63 HydrophobicContact CZ2-CD1 3.58Å; W43-I63 HydrophobicContact CZ2-CG1 4.45Å; W43-I63 HydrophobicContact CZ2-CG2 4.16Å; W43-I63 HydrophobicContact CZ3-CG2 4.32Å; W43-N68 WeakPolarHBondContact CZ3-OD1 3.49Å; W43-Y70 HydrophobicContact CE3-CD2 4.07Å; W43-Y70 HydrophobicContact CE3-CE2 4.39Å; W43-Y70 AromaticContact CH2-CD2 3.57Å; W43-Y70 HydrophobicContact CH2-CD2 3.57Å; W43-Y70 AromaticContact CH2-CE2 3.21Å; W43-Y70 HydrophobicContact CH2-CE2 3.21Å; W43-Y70 AromaticContact CZ2-CE2 3.9Å; W43-Y70 HydrophobicContact CZ2-CE2 3.9Å; W43-Y70 AromaticContact CZ3-CD2 3.28Å; W43-Y70 HydrophobicContact CZ3-CD2 3.28Å; W43-Y70 AromaticContact CZ3-CE2 3.49Å; W43-Y70 HydrophobicContact CZ3-CE2 3.49Å; W43-Y70 VanDerWaalsContact CZ3-CE2 3.49Å; W43-I73 HydrophobicContact CE3-CD1 4.3Å; W43-L111 WeakPolarHBondContact O-CA 3.27Å; W43-Y112 HydrophobicContact CB-CD1 4.46Å; W43-Y112 HydrophobicContact CD2-CD1 4.43Å; W43-Y112 HydrophobicContact CG-CD1 4.29Å; W43-Y112 PolarHBondContact N-O 3.22Å; W43-Y112 PolarHBondContact O-N 3.4Å
44	V	88.5	Confident	84.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.2	168.9	175.5	0	0	0	0	107.3	L12 M16 L27 L31 V51 L52 A53 I98 L111	L12-V44 HydrophobicContact CD1-CG2 3.65Å; L12-V44 HydrophobicContact CD2-CG2 3.96Å; L12-V44 HydrophobicContact CG-CG2 4.4Å; M16-V44 HydrophobicContact SD-CG1 4.01Å; L27-V44 HydrophobicContact CD1-CG1 4.3Å; L31-V44 HydrophobicContact CD1-CG2 3.85Å; L31-V44 HydrophobicContact CD2-CG2 3.92Å; L31-V44 HydrophobicContact CG-CG2 4.1Å; V44-V51 CarbonylContact O-C 3.52Å; V44-V51 WeakPolarHBondContact O-CA 3.41Å; V44-L52 HydrophobicContact CG1-CB 4.28Å; V44-L52 HydrophobicContact CG1-CD1 4.33Å; V44-L52 PolarHBondContact O-N 3.49Å; V44-A53 HydrophobicContact CB-CB 4.34Å; V44-A53 PolarHBondContact N-O 2.89Å; V44-I98 HydrophobicContact CG1-CD1 3.78Å; V44-L111 HydrophobicContact CG2-CD1 4.05Å
45	V	88.1	Confident	84.5	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.2	-176.5	-172.8	0	0	0	0	108.8	W43 G49 I50 V51 N68 I73 G109 A110	W43-V45 HydrophobicContact CB-CG2 4.46Å; V45-G49 VanDerWaalsContact CG1-CA 3.42Å; V45-I50 CarbonylContact C-O 3.51Å; V45-I50 VanDerWaalsContact CA-O 3.31Å; V45-I50 WeakPolarHBondContact CA-O 3.45Å; V45-V51 HydrophobicContact CG2-CG2 4.18Å; V45-N68 HydrophobicContact CG1-CB 4.2Å; V45-N68 HydrophobicContact CG2-CB 4.41Å; V45-I73 HydrophobicContact CB-CG2 4.03Å; V45-I73 HydrophobicContact CG1-CG2 4.4Å; V45-I73 HydrophobicContact CG2-CD1 4.18Å; V45-I73 HydrophobicContact CG2-CG2 3.92Å; V45-G109 CarbonylContact O-C 3.56Å; V45-G109 WeakPolarHBondContact O-CA 3.2Å; V45-A110 PolarHBondContact N-O 2.62Å; V45-A110 PolarHBondContact O-N 2.79Å
46	D	85.8	Confident	84.7	Confident	20 Å²	20	36.2 Å²	36.2	11%	0.107	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	176.4	176.5	75.8	0.9	0	0	0	112.9	M16 K48 G49 I50 L52 F76	M16-D46 HydrophobicContact CE-CB 4.45Å; D46-K48 PolarHBondContact O-N 2.8Å; D46-K48 VanDerWaalsContact O-N 3.15Å; D46-K48 VanDerWaalsContact OD1-CA 3.32Å; D46-K48 WeakPolarHBondContact OD1-CA 3.5Å; D46-K48 WeakPolarHBondContact OD1-CB 3.21Å; D46-K48 PolarHBondContact OD1-N 3.37Å; D46-G49 PolarHBondContact O-N 3.03Å; D46-G49 PolarHBondContact OD1-N 2.75Å; D46-I50 PolarHBondContact N-O 3.2Å; D46-I50 WeakPolarHBondContact OD1-CA 3.42Å; D46-I50 WeakPolarHBondContact OD1-CB 3.36Å; D46-I50 PolarHBondContact OD1-N 2.7Å; D46-L52 HydrophobicContact CB-CD1 3.91Å; D46-L52 HydrophobicContact CB-CD2 4.18Å; D46-L52 HydrophobicContact CB-CG 4.01Å; D46-F76 WeakPolarHBondContact O-CE1 3.25Å; D46-F76 VanDerWaalsContact O-CZ 3.29Å; D46-F76 WeakPolarHBondContact O-CZ 3.32Å
47	D	83.2	Confident	84.4	Confident	97 Å²	97	40.2 Å²	40.2	52%	0.519	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-13.7	177	70.8	-22.6	0	0	0	114.6	I108	D47-I108 PolarHBondContact N-O 2.71Å; D47-I108 VanDerWaalsContact N-O 3.14Å
48	K	80	Confident	84.4	Confident	148 Å²	148	38.1 Å²	38.1	64%	0.643	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	-1.9	175.2	-65.2	167.2	-168.3	162	0	112.7	D46 I50	D46-K48 PolarHBondContact O-N 2.8Å; D46-K48 VanDerWaalsContact O-N 3.15Å; D46-K48 VanDerWaalsContact OD1-CA 3.32Å; D46-K48 WeakPolarHBondContact OD1-CA 3.5Å; D46-K48 WeakPolarHBondContact OD1-CB 3.21Å; D46-K48 PolarHBondContact OD1-N 3.37Å; K48-I50 HydrophobicContact CB-CD1 4.21Å; K48-I50 HydrophobicContact CB-CG1 4.17Å
49	G	81.4	Confident	84.2	Confident	9 Å²	9	39.1 Å²	39.1	9%	0.093	22%	0.216	C	C	.	.	S	Bend	trans	79	21.6	-176.5	0	0	0	0	0	113.3	V45 D46 R67 N68	V45-G49 VanDerWaalsContact CG1-CA 3.42Å; D46-G49 PolarHBondContact O-N 3.03Å; D46-G49 PolarHBondContact OD1-N 2.75Å; G49-R67 CarbonylContact O-C 3.56Å; G49-R67 WeakPolarHBondContact O-CA 3.43Å; G49-N68 WeakPolarHBondContact O-CB 3.13Å; G49-N68 PolarHBondContact O-N 3.23Å
50	I	85.6	Confident	83.8	Confident	56 Å²	56	41.1 Å²	41.1	29%	0.287	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-96.1	133	177.5	-56	175.5	0	0	0	109.3	V45 D46 K48 L52 K66	V45-I50 CarbonylContact C-O 3.51Å; V45-I50 VanDerWaalsContact CA-O 3.31Å; V45-I50 WeakPolarHBondContact CA-O 3.45Å; D46-I50 PolarHBondContact N-O 3.2Å; D46-I50 WeakPolarHBondContact OD1-CA 3.42Å; D46-I50 WeakPolarHBondContact OD1-CB 3.36Å; D46-I50 PolarHBondContact OD1-N 2.7Å; K48-I50 HydrophobicContact CB-CD1 4.21Å; K48-I50 HydrophobicContact CB-CG1 4.17Å; I50-L52 PolarHBondContact O-N 3.03Å; I50-K66 WeakPolarHBondContact CA-O 3.47Å
51	V	88	Confident	83.5	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	117.4	178.4	-173.3	0	0	0	0	110.2	W43 V44 V45 I63 V64 G65 K66 N68	W43-V51 HydrophobicContact CB-CG1 4.22Å; W43-V51 HydrophobicContact CE3-CG2 4.22Å; W43-V51 HydrophobicContact CG-CG1 4.49Å; V44-V51 CarbonylContact O-C 3.52Å; V44-V51 WeakPolarHBondContact O-CA 3.41Å; V45-V51 HydrophobicContact CG2-CG2 4.18Å; V51-I63 HydrophobicContact CB-CG2 3.94Å; V51-I63 HydrophobicContact CG1-CG2 3.83Å; V51-I63 HydrophobicContact CG2-CG2 3.77Å; V51-V64 WeakPolarHBondContact O-CA 3.49Å; V51-G65 PolarHBondContact O-N 3.14Å; V51-K66 PolarHBondContact N-O 3.28Å; V51-N68 HydrophobicContact CG2-CB 4.21Å
52	L	85.5	Confident	83	Confident	35 Å²	35	46.8 Å²	46.8	18%	0.183	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-36.3	179.4	-62.8	-179.7	0	0	0	113	M16 L27 V44 D46 I50 V64	M16-L52 HydrophobicContact CE-CD1 3.48Å; M16-L52 VanDerWaalsContact CE-CD1 3.48Å; M16-L52 HydrophobicContact CG-CD1 4.49Å; M16-L52 HydrophobicContact SD-CD1 4.19Å; L27-L52 HydrophobicContact CD1-CB 3.85Å; L27-L52 HydrophobicContact CD1-CD1 3.75Å; L27-L52 HydrophobicContact CD1-CG 4.46Å; V44-L52 HydrophobicContact CG1-CB 4.28Å; V44-L52 HydrophobicContact CG1-CD1 4.33Å; V44-L52 PolarHBondContact O-N 3.49Å; D46-L52 HydrophobicContact CB-CD1 3.91Å; D46-L52 HydrophobicContact CB-CD2 4.18Å; D46-L52 HydrophobicContact CB-CG 4.01Å; I50-L52 PolarHBondContact O-N 3.03Å; L52-V64 WeakPolarHBondContact O-CG1 3.45Å
53	A	86.9	Confident	82.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	153	-177.5	0	0	0	0	0	111.4	L27 Q28 L31 W43 V44	L27-A53 HydrophobicContact CB-CB 3.73Å; Q28-A53 HydrophobicContact CB-CB 4.43Å; L31-A53 VanDerWaalsContact CD1-C 3.42Å; L31-A53 HydrophobicContact CD1-CB 3.57Å; L31-A53 WeakPolarHBondContact CD1-O 3.5Å; L31-A53 HydrophobicContact CG-CB 4.44Å; W43-A53 WeakPolarHBondContact CA-O 3.29Å; V44-A53 HydrophobicContact CB-CB 4.34Å; V44-A53 PolarHBondContact N-O 2.89Å
54	T	89	Confident	82.3	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	147.1	174.4	179.9	0	0	0	0	111	Q28 M42 D56 K60 V64	Q28-T54 VanDerWaalsContact CD-O 3.25Å; Q28-T54 PolarHBondContact NE2-O 2.94Å; Q28-T54 PolarHBondContact OE1-O 2.78Å; Q28-T54 VanDerWaalsContact OE1-O 3.12Å; M42-T54 CarbonylContact O-C 3.58Å; M42-T54 WeakPolarHBondContact O-CA 3.29Å; T54-D56 VanDerWaalsContact C-N 3.26Å; T54-D56 PolarHBondContact OG1-N 3.44Å; T54-K60 HydrophobicContact CG2-CB 4.2Å; T54-K60 HydrophobicContact CG2-CG 4.37Å; T54-V64 HydrophobicContact CG2-CG2 3.88Å
55	N	87.5	Confident	81.8	Confident	19 Å²	19	51.7 Å²	51.7	10%	0.102	31%	0.305	C	S	.	.	S	Bend	trans	-77.6	-10.5	170.9	75	-30.9	0	0	0	113.4	L31 E41 M42 V57	L31-N55 HydrophobicContact CB-CB 4.21Å; E41-N55 VanDerWaalsContact CA-OD1 3.32Å; E41-N55 WeakPolarHBondContact CA-OD1 3.2Å; M42-N55 HydrophobicContact CB-CB 4.1Å; M42-N55 HydrophobicContact CE-CB 3.7Å; M42-N55 HydrophobicContact CG-CB 4.46Å; M42-N55 VanDerWaalsContact N-CG 3.33Å; M42-N55 PolarHBondContact N-OD1 2.75Å; M42-N55 PolarHBondContact O-N 3.01Å; N55-V57 PolarHBondContact O-N 2.85Å
56	D	81.7	Confident	81.6	Confident	42 Å²	42	57.4 Å²	57.4	23%	0.225	33%	0.33	C	S	.	.			trans	-89.2	98.3	179.2	-171.8	-11	0	0	0	110.7	T54 G58 Q59 K60	T54-D56 VanDerWaalsContact C-N 3.26Å; T54-D56 PolarHBondContact OG1-N 3.44Å; D56-G58 PolarHBondContact O-N 3.02Å; D56-G58 WeakPolarHBondContact OD1-CA 2.91Å; D56-G58 PolarHBondContact OD1-N 2.86Å; D56-Q59 HydrophobicContact CB-CB 4.34Å; D56-Q59 PolarHBondContact O-N 2.88Å; D56-Q59 VanDerWaalsContact O-N 3.15Å; D56-Q59 PolarHBondContact OD1-N 3.25Å; D56-Q59 WeakPolarHBondContact OD2-CG 3.29Å; D56-Q59 PolarHBondContact OD2-NE2 2.92Å; D56-K60 PolarHBondContact O-N 3.07Å; D56-K60 VanDerWaalsContact O-N 3.1Å
57	V	73	Confident	81.5	Confident	106 Å²	106	66 Å²	66	64%	0.642	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.8	178.5	-174.5	0	0	0	0	111.7	N55	N55-V57 PolarHBondContact O-N 2.85Å
58	G	74.8	Confident	81.4	Confident	72 Å²	72	62 Å²	62	74%	0.742	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-25.2	-179.3	0	0	0	0	0	113.7	D56	D56-G58 PolarHBondContact O-N 3.02Å; D56-G58 WeakPolarHBondContact OD1-CA 2.91Å; D56-G58 PolarHBondContact OD1-N 2.86Å
59	Q	76.8	Confident	81.3	Confident	79 Å²	79	63.8 Å²	63.8	37%	0.369	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	3.1	-179.2	-63.2	-174.3	55	0	0	113.7	D56 D61 S62 I63	D56-Q59 HydrophobicContact CB-CB 4.34Å; D56-Q59 PolarHBondContact O-N 2.88Å; D56-Q59 VanDerWaalsContact O-N 3.15Å; D56-Q59 PolarHBondContact OD1-N 3.25Å; D56-Q59 WeakPolarHBondContact OD2-CG 3.29Å; D56-Q59 PolarHBondContact OD2-NE2 2.92Å; Q59-D61 PolarHBondContact O-N 3.22Å; Q59-S62 VanDerWaalsContact CA-OG 3.29Å; Q59-S62 WeakPolarHBondContact CA-OG 3.44Å; Q59-S62 PolarHBondContact O-N 3.45Å; Q59-S62 PolarHBondContact O-OG 2.8Å; Q59-I63 HydrophobicContact CB-CD1 3.45Å; Q59-I63 VanDerWaalsContact CB-CD1 3.45Å; Q59-I63 HydrophobicContact CB-CG1 4.1Å; Q59-I63 HydrophobicContact CG-CD1 4.37Å; Q59-I63 WeakPolarHBondContact O-CG1 3.41Å; Q59-I63 PolarHBondContact O-N 2.8Å
60	K	77.2	Confident	81.1	Confident	62 Å²	62	66.8 Å²	66.8	27%	0.27	36%	0.359	S	S	.	.	H	α-helix	trans	-50.8	-54.4	-178.6	-169.3	-178	-180	-177.2	0	112.1	T54 D56 S62 I63 V64	T54-K60 HydrophobicContact CG2-CB 4.2Å; T54-K60 HydrophobicContact CG2-CG 4.37Å; D56-K60 PolarHBondContact O-N 3.07Å; D56-K60 VanDerWaalsContact O-N 3.1Å; K60-S62 PolarHBondContact O-N 3.45Å; K60-I63 PolarHBondContact O-N 3.47Å; K60-V64 HydrophobicContact CG-CG2 3.92Å; K60-V64 WeakPolarHBondContact O-CB 3.42Å; K60-V64 WeakPolarHBondContact O-CG2 3.22Å; K60-V64 PolarHBondContact O-N 3.08Å
61	D	75.9	Confident	80.6	Confident	160 Å²	160	68 Å²	68	86%	0.856	37%	0.372	S	S	*	.	H	α-helix	trans	-68.3	-21.4	-178.1	-64.2	-24.3	0	0	0	113.4	Q59	Q59-D61 PolarHBondContact O-N 3.22Å
62	S	77.2	Confident	80	Confident	56 Å²	56	70 Å²	70	39%	0.392	38%	0.383	S	S	.	.	H	α-helix	trans	-89	-23	-179.6	51.2	0	0	0	0	114.1	Q59 K60 K66	Q59-S62 VanDerWaalsContact CA-OG 3.29Å; Q59-S62 WeakPolarHBondContact CA-OG 3.44Å; Q59-S62 PolarHBondContact O-N 3.45Å; Q59-S62 PolarHBondContact O-OG 2.8Å; K60-S62 PolarHBondContact O-N 3.45Å; S62-K66 VanDerWaalsContact O-CD 3.25Å; S62-K66 WeakPolarHBondContact O-CD 3.21Å; S62-K66 WeakPolarHBondContact O-CE 3.48Å; S62-K66 PolarHBondContact O-NZ 3.31Å
63	I	80.3	Confident	79.8	Confident	21 Å²	21	68.3 Å²	68.3	11%	0.108	37%	0.374	C	S	.	.	H	α-helix	trans	-115.2	-44.3	-171.4	-57.2	169.5	0	0	0	111.8	W43 V51 Q59 K60 G65 K66	W43-I63 HydrophobicContact CD2-CG2 4.46Å; W43-I63 HydrophobicContact CH2-CD1 4.27Å; W43-I63 HydrophobicContact CH2-CG2 4.1Å; W43-I63 HydrophobicContact CZ2-CD1 3.58Å; W43-I63 HydrophobicContact CZ2-CG1 4.45Å; W43-I63 HydrophobicContact CZ2-CG2 4.16Å; W43-I63 HydrophobicContact CZ3-CG2 4.32Å; V51-I63 HydrophobicContact CB-CG2 3.94Å; V51-I63 HydrophobicContact CG1-CG2 3.83Å; V51-I63 HydrophobicContact CG2-CG2 3.77Å; Q59-I63 HydrophobicContact CB-CD1 3.45Å; Q59-I63 VanDerWaalsContact CB-CD1 3.45Å; Q59-I63 HydrophobicContact CB-CG1 4.1Å; Q59-I63 HydrophobicContact CG-CD1 4.37Å; Q59-I63 WeakPolarHBondContact O-CG1 3.41Å; Q59-I63 PolarHBondContact O-N 2.8Å; K60-I63 PolarHBondContact O-N 3.47Å; I63-G65 PolarHBondContact O-N 3.29Å; I63-K66 WeakPolarHBondContact O-CB 3.5Å; I63-K66 PolarHBondContact O-N 3.1Å; I63-K66 VanDerWaalsContact O-N 3.09Å
64	V	82.1	Confident	79.4	Confident	45 Å²	45	72.7 Å²	72.7	27%	0.273	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	131.9	-175.4	178.7	0	0	0	0	110.1	V51 L52 T54 K60 K66	V51-V64 WeakPolarHBondContact O-CA 3.49Å; L52-V64 WeakPolarHBondContact O-CG1 3.45Å; T54-V64 HydrophobicContact CG2-CG2 3.88Å; K60-V64 HydrophobicContact CG-CG2 3.92Å; K60-V64 WeakPolarHBondContact O-CB 3.42Å; K60-V64 WeakPolarHBondContact O-CG2 3.22Å; K60-V64 PolarHBondContact O-N 3.08Å; V64-K66 VanDerWaalsContact C-N 3.31Å
65	G	78.6	Confident	79	Confident	56 Å²	56	77 Å²	77	58%	0.577	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-1.3	-176.2	0	0	0	0	0	115.1	V51 I63	V51-G65 PolarHBondContact O-N 3.14Å; I63-G65 PolarHBondContact O-N 3.29Å
66	K	83.4	Confident	78.7	Confident	122 Å²	122	78.2 Å²	78.2	53%	0.53	43%	0.425	S	S	.	.	S	Bend	trans	-99.6	159.2	171.8	-62.3	-171.1	-169.2	161.4	0	111.4	I50 V51 S62 I63 V64	I50-K66 WeakPolarHBondContact CA-O 3.47Å; V51-K66 PolarHBondContact N-O 3.28Å; S62-K66 VanDerWaalsContact O-CD 3.25Å; S62-K66 WeakPolarHBondContact O-CD 3.21Å; S62-K66 WeakPolarHBondContact O-CE 3.48Å; S62-K66 PolarHBondContact O-NZ 3.31Å; I63-K66 WeakPolarHBondContact O-CB 3.5Å; I63-K66 PolarHBondContact O-N 3.1Å; I63-K66 VanDerWaalsContact O-N 3.09Å; V64-K66 VanDerWaalsContact C-N 3.31Å
67	R	82.6	Confident	78.7	Confident	200 Å²	200	78.3 Å²	78.3	76%	0.755	43%	0.429	S	S	*	.	B	Isolated β-bridge	trans	-67.6	131.8	172.8	-167	173.7	-174.3	162.4	3	109.4	G49	G49-R67 CarbonylContact O-C 3.56Å; G49-R67 WeakPolarHBondContact O-CA 3.43Å
68	N	82.5	Confident	79.4	Confident	12 Å²	12	78.8 Å²	78.8	6%	0.064	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-56.4	138.3	174	167.2	54.3	0	0	0	111	W43 V45 G49 V51 Y70 D74	W43-N68 WeakPolarHBondContact CZ3-OD1 3.49Å; V45-N68 HydrophobicContact CG1-CB 4.2Å; V45-N68 HydrophobicContact CG2-CB 4.41Å; G49-N68 WeakPolarHBondContact O-CB 3.13Å; G49-N68 PolarHBondContact O-N 3.23Å; V51-N68 HydrophobicContact CG2-CB 4.21Å; N68-Y70 PolarHBondContact ND2-N 2.87Å; N68-Y70 PolarHBondContact ND2-O 2.97Å; N68-Y70 WeakPolarHBondContact OD1-CB 3.45Å; N68-Y70 PolarHBondContact OD1-N 3.06Å; N68-D74 PolarHBondContact ND2-OD1 2.87Å
69	E	77.8	Confident	80	Confident	186 Å²	186	77.5 Å²	77.5	87%	0.869	40%	0.399	S	S	*	.			trans	-100.6	-6.7	177.3	-63.2	-175.1	172.1	0	0	112.9	S71	E69-S71 PolarHBondContact O-N 2.97Å
70	Y	76.4	Confident	80.5	Confident	72 Å²	72	77.8 Å²	77.8	28%	0.282	40%	0.401	S	S	.	.			trans	-88	109.2	-179.9	-72.9	-89.9	0	0	0	112.3	W43 N68 D72 I73	W43-Y70 HydrophobicContact CE3-CD2 4.07Å; W43-Y70 HydrophobicContact CE3-CE2 4.39Å; W43-Y70 AromaticContact CH2-CD2 3.57Å; W43-Y70 HydrophobicContact CH2-CD2 3.57Å; W43-Y70 AromaticContact CH2-CE2 3.21Å; W43-Y70 HydrophobicContact CH2-CE2 3.21Å; W43-Y70 AromaticContact CZ2-CE2 3.9Å; W43-Y70 HydrophobicContact CZ2-CE2 3.9Å; W43-Y70 AromaticContact CZ3-CD2 3.28Å; W43-Y70 HydrophobicContact CZ3-CD2 3.28Å; W43-Y70 AromaticContact CZ3-CE2 3.49Å; W43-Y70 HydrophobicContact CZ3-CE2 3.49Å; W43-Y70 VanDerWaalsContact CZ3-CE2 3.49Å; N68-Y70 PolarHBondContact ND2-N 2.87Å; N68-Y70 PolarHBondContact ND2-O 2.97Å; N68-Y70 WeakPolarHBondContact OD1-CB 3.45Å; N68-Y70 PolarHBondContact OD1-N 3.06Å; Y70-D72 PolarHBondContact O-N 2.8Å; Y70-I73 PolarHBondContact O-N 2.82Å; Y70-I73 VanDerWaalsContact O-N 3.09Å
71	S	76.2	Confident	81.1	Confident	82 Å²	82	78 Å²	78	57%	0.573	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-20.1	177.3	58.9	0	0	0	0	114.7	E69 I73	E69-S71 PolarHBondContact O-N 2.97Å; S71-I73 VanDerWaalsContact C-N 3.3Å; S71-I73 PolarHBondContact O-N 2.79Å
72	D	74.8	Confident	81.6	Confident	42 Å²	42	74 Å²	74	23%	0.225	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-18.5	-178.5	-70.5	-37.2	0	0	0	114.3	Y70 K79 Y81	Y70-D72 PolarHBondContact O-N 2.8Å; D72-K79 HydrophobicContact CB-CD 4.14Å; D72-K79 WeakPolarHBondContact O-CD 3.45Å; D72-K79 PolarHBondContact O-NZ 3.39Å; D72-K79 IonicContact OD1-NZ 3.43Å; D72-Y81 PolarHBondContact OD2-OH 3.09Å
73	I	80.4	Confident	82.1	Confident	1 Å²	1	74 Å²	74	1%	0.005	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-22.5	179.4	-49.4	175.7	0	0	0	111	W43 V45 Y70 S71 D75 F76 A110 Y112	W43-I73 HydrophobicContact CE3-CD1 4.3Å; V45-I73 HydrophobicContact CB-CG2 4.03Å; V45-I73 HydrophobicContact CG1-CG2 4.4Å; V45-I73 HydrophobicContact CG2-CD1 4.18Å; V45-I73 HydrophobicContact CG2-CG2 3.92Å; Y70-I73 PolarHBondContact O-N 2.82Å; Y70-I73 VanDerWaalsContact O-N 3.09Å; S71-I73 VanDerWaalsContact C-N 3.3Å; S71-I73 PolarHBondContact O-N 2.79Å; I73-D75 VanDerWaalsContact C-N 3.3Å; I73-D75 PolarHBondContact O-N 3.3Å; I73-F76 PolarHBondContact O-N 2.84Å; I73-A110 HydrophobicContact CG2-CB 3.66Å; I73-Y112 HydrophobicContact CD1-CD2 3.77Å; I73-Y112 HydrophobicContact CD1-CG 3.75Å; I73-Y112 HydrophobicContact CG1-CD2 3.9Å; I73-Y112 HydrophobicContact CG1-CG 4.31Å
74	D	78.6	Confident	82.3	Confident	92 Å²	92	77.1 Å²	77.1	49%	0.492	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.8	-167.6	-68.1	-11.4	0	0	0	115.2	N68 F76	N68-D74 PolarHBondContact ND2-OD1 2.87Å; D74-F76 VanDerWaalsContact C-N 3.34Å
75	D	80.7	Confident	82.3	Confident	89 Å²	89	75.9 Å²	75.9	48%	0.476	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	0.2	177.7	63.5	18.4	0	0	0	113.4	I73 S77 K79	I73-D75 VanDerWaalsContact C-N 3.3Å; I73-D75 PolarHBondContact O-N 3.3Å; D75-S77 PolarHBondContact O-N 2.84Å; D75-S77 VanDerWaalsContact OD1-CB 3.27Å; D75-S77 WeakPolarHBondContact OD1-CB 3.33Å; D75-S77 PolarHBondContact OD1-N 2.97Å; D75-S77 PolarHBondContact OD1-OG 3.19Å; D75-S77 PolarHBondContact OD2-OG 2.87Å; D75-K79 WeakPolarHBondContact OD1-CE 3.33Å; D75-K79 IonicContact OD1-NZ 2.89Å; D75-K79 PolarHBondContact OD1-NZ 3.22Å; D75-K79 VanDerWaalsContact OD1-NZ 3.16Å; D75-K79 WeakPolarHBondContact OD2-CE 3.43Å; D75-K79 IonicContact OD2-NZ 2.87Å; D75-K79 PolarHBondContact OD2-NZ 3.09Å
76	F	81.3	Confident	82.4	Confident	46 Å²	46	80.4 Å²	80.4	20%	0.202	40%	0.398	C	S	.	.			trans	46.9	26.9	-175	-53.8	-84.5	0	0	0	113.9	D46 I73 D74 P97 V107 A110	D46-F76 WeakPolarHBondContact O-CE1 3.25Å; D46-F76 VanDerWaalsContact O-CZ 3.29Å; D46-F76 WeakPolarHBondContact O-CZ 3.32Å; I73-F76 PolarHBondContact O-N 2.84Å; D74-F76 VanDerWaalsContact C-N 3.34Å; F76-P97 WeakPolarHBondContact O-CB 3.4Å; F76-V107 HydrophobicContact CB-CG1 3.66Å; F76-V107 HydrophobicContact CD1-CG1 4.31Å; F76-V107 HydrophobicContact CG-CG1 4.1Å; F76-A110 HydrophobicContact CD1-CB 3.7Å; F76-A110 HydrophobicContact CE1-CB 4.39Å
77	S	82.8	Confident	82.3	Confident	43 Å²	43	80.6 Å²	80.6	30%	0.301	41%	0.405	S	S	.	.			trans	-90.3	156.2	-179.4	72.8	0	0	0	0	111	D75 K79	D75-S77 PolarHBondContact O-N 2.84Å; D75-S77 VanDerWaalsContact OD1-CB 3.27Å; D75-S77 WeakPolarHBondContact OD1-CB 3.33Å; D75-S77 PolarHBondContact OD1-N 2.97Å; D75-S77 PolarHBondContact OD1-OG 3.19Å; D75-S77 PolarHBondContact OD2-OG 2.87Å; S77-K79 PolarHBondContact O-N 3.35Å; S77-K79 WeakPolarHBondContact OG-CE 3.49Å
78	M	86.5	Confident	82.3	Confident	117 Å²	117	77 Å²	77	58%	0.576	40%	0.401	S	S	*	.			trans	-69.1	116.9	172.3	-176.5	-179	-71.4	0	0	109.4	V95	M78-V95 WeakPolarHBondContact CA-O 3.4Å
79	K	87.2	Confident	82.4	Confident	44 Å²	44	80.8 Å²	80.8	19%	0.191	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133	175.1	-68.8	178.9	-175.4	155.1	0	110.7	D72 D75 S77 Y81 N94 V95	D72-K79 HydrophobicContact CB-CD 4.14Å; D72-K79 WeakPolarHBondContact O-CD 3.45Å; D72-K79 PolarHBondContact O-NZ 3.39Å; D72-K79 IonicContact OD1-NZ 3.43Å; D75-K79 WeakPolarHBondContact OD1-CE 3.33Å; D75-K79 IonicContact OD1-NZ 2.89Å; D75-K79 PolarHBondContact OD1-NZ 3.22Å; D75-K79 VanDerWaalsContact OD1-NZ 3.16Å; D75-K79 WeakPolarHBondContact OD2-CE 3.43Å; D75-K79 IonicContact OD2-NZ 2.87Å; D75-K79 PolarHBondContact OD2-NZ 3.09Å; S77-K79 PolarHBondContact O-N 3.35Å; S77-K79 WeakPolarHBondContact OG-CE 3.49Å; K79-Y81 HydrophobicContact CB-CD1 4.43Å; K79-Y81 HydrophobicContact CB-CE1 4.43Å; K79-N94 CarbonylContact O-C 3.47Å; K79-N94 WeakPolarHBondContact O-CA 3.21Å; K79-V95 HydrophobicContact CB-CB 4.16Å; K79-V95 HydrophobicContact CB-CG2 4.27Å; K79-V95 PolarHBondContact N-O 3.09Å; K79-V95 VanDerWaalsContact N-O 3.09Å; K79-V95 PolarHBondContact O-N 2.82Å
80	Q	88.8	Confident	82.8	Confident	85 Å²	85	76.8 Å²	76.8	40%	0.397	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	116.1	177.7	-70.5	177.8	6.7	0	0	109.4	N2 Y92 I93 N94	N2-Q80 PolarHBondContact ND2-OE1 3.04Å; N2-Q80 VanDerWaalsContact ND2-OE1 3.11Å; Q80-Y92 PolarHBondContact OE1-OH 3.39Å; Q80-I93 WeakPolarHBondContact CA-O 3.39Å; Q80-N94 HydrophobicContact CG-CB 4.41Å; Q80-N94 PolarHBondContact NE2-ND2 2.94Å
81	Y	88.3	Confident	83.4	Confident	67 Å²	67	73.4 Å²	73.4	26%	0.263	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	158	179.6	62.2	-89.5	0	0	0	111.7	D72 K79 T83 I93	D72-Y81 PolarHBondContact OD2-OH 3.09Å; K79-Y81 HydrophobicContact CB-CD1 4.43Å; K79-Y81 HydrophobicContact CB-CE1 4.43Å; Y81-T83 HydrophobicContact CD2-CG2 4.32Å; Y81-T83 HydrophobicContact CE2-CG2 3.75Å; Y81-I93 HydrophobicContact CE1-CB 4.18Å; Y81-I93 HydrophobicContact CE1-CG2 3.95Å; Y81-I93 HydrophobicContact CE2-CB 4.12Å; Y81-I93 HydrophobicContact CE2-CD1 3.8Å; Y81-I93 HydrophobicContact CE2-CG1 4.37Å; Y81-I93 PolarHBondContact N-O 3.49Å; Y81-I93 VanDerWaalsContact N-O 3.09Å; Y81-I93 PolarHBondContact O-N 2.87Å; Y81-I93 VanDerWaalsContact OH-CD1 3.24Å; Y81-I93 WeakPolarHBondContact OH-CD1 3.24Å
82	V	87.3	Confident	84	Confident	77 Å²	77	71.5 Å²	71.5	47%	0.467	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.3	170.6	177.1	0	0	0	0	107.6	R90 V91 Y92 I117	V82-R90 HydrophobicContact CG1-CB 4.49Å; V82-V91 CarbonylContact C-O 3.31Å; V82-V91 WeakPolarHBondContact CA-O 3.4Å; V82-Y92 HydrophobicContact CG2-CD2 3.77Å; V82-Y92 HydrophobicContact CG2-CE2 4.49Å; V82-I117 HydrophobicContact CB-CD1 4.32Å; V82-I117 HydrophobicContact CG1-CD1 3.59Å; V82-I117 HydrophobicContact CG2-CD1 3.77Å
83	T	87.6	Confident	84.7	Confident	55 Å²	55	69.8 Å²	69.8	34%	0.337	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	-179.7	173.4	-167.6	0	0	0	0	110.2	Y81 R90 V91 I93	Y81-T83 HydrophobicContact CD2-CG2 4.32Å; Y81-T83 HydrophobicContact CE2-CG2 3.75Å; T83-R90 WeakPolarHBondContact O-CA 3.33Å; T83-V91 HydrophobicContact CG2-CG2 3.64Å; T83-V91 PolarHBondContact N-O 3.48Å; T83-V91 PolarHBondContact O-N 2.79Å; T83-V91 VanDerWaalsContact O-O 3.13Å; T83-I93 HydrophobicContact CG2-CD1 3.43Å; T83-I93 VanDerWaalsContact CG2-CD1 3.43Å; T83-I93 HydrophobicContact CG2-CG1 4.1Å
84	L	85	Confident	85.1	Confident	87 Å²	87	69.8 Å²	69.8	46%	0.455	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	134.9	170.9	-62	170.9	0	0	0	108.4	K89 R90	L84-K89 CarbonylContact C-O 3.55Å; L84-K89 WeakPolarHBondContact CA-O 2.93Å; L84-R90 HydrophobicContact CD2-CG 3.95Å
85	D	82.1	Confident	85.6	Confident	18 Å²	18	65.4 Å²	65.4	10%	0.096	33%	0.328	C	S	.	.			trans	-75.4	178.3	167.7	70.8	7.7	0	0	0	111.3	K40 N87 N88 K89 V91	K40-D85 IonicContact NZ-OD2 2.97Å; K40-D85 PolarHBondContact NZ-OD2 3.3Å; D85-N87 PolarHBondContact O-N 2.95Å; D85-N87 VanDerWaalsContact OD1-C 3.31Å; D85-N87 WeakPolarHBondContact OD1-CA 3.39Å; D85-N87 WeakPolarHBondContact OD1-CB 3.21Å; D85-N87 PolarHBondContact OD1-N 3.42Å; D85-N88 WeakPolarHBondContact O-CA 2.97Å; D85-N88 PolarHBondContact O-N 2.67Å; D85-N88 PolarHBondContact OD1-N 2.8Å; D85-K89 PolarHBondContact N-O 3.05Å; D85-K89 WeakPolarHBondContact OD1-CB 2.97Å; D85-K89 PolarHBondContact OD1-N 2.95Å; D85-V91 HydrophobicContact CB-CG1 3.79Å; D85-V91 HydrophobicContact CB-CG2 4.09Å
86	D	80.5	Confident	86	Confident	151 Å²	151	62.2 Å²	62.2	81%	0.807	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.9	-179.7	-54.1	-39.8	0	0	0	113.5	N88	D86-N88 VanDerWaalsContact C-N 3.33Å
87	N	81.9	Confident	86.4	Confident	127 Å²	127	61.1 Å²	61.1	68%	0.679	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	13.9	176.1	-67	-40.1	0	0	0	112.6	D85 K89	D85-N87 PolarHBondContact O-N 2.95Å; D85-N87 VanDerWaalsContact OD1-C 3.31Å; D85-N87 WeakPolarHBondContact OD1-CA 3.39Å; D85-N87 WeakPolarHBondContact OD1-CB 3.21Å; D85-N87 PolarHBondContact OD1-N 3.42Å; N87-K89 HydrophobicContact CB-CG 4.43Å; N87-K89 PolarHBondContact O-N 2.89Å
88	N	81.3	Confident	86.6	Confident	124 Å²	124	59 Å²	59	66%	0.663	29%	0.294	S	S	*	.	S	Bend	trans	59.9	25.9	180	-141.9	61.1	0	0	0	113.2	D85 D86	D85-N88 WeakPolarHBondContact O-CA 2.97Å; D85-N88 PolarHBondContact O-N 2.67Å; D85-N88 PolarHBondContact OD1-N 2.8Å; D86-N88 VanDerWaalsContact C-N 3.33Å
89	K	84.7	Confident	86.5	Confident	92 Å²	92	58.8 Å²	58.8	40%	0.4	29%	0.291	S	S	.	.			trans	-95.2	142.7	174.7	-64.7	-174.5	174.9	-175	0	110.2	L84 D85 N87 V91 E118	L84-K89 CarbonylContact C-O 3.55Å; L84-K89 WeakPolarHBondContact CA-O 2.93Å; D85-K89 PolarHBondContact N-O 3.05Å; D85-K89 WeakPolarHBondContact OD1-CB 2.97Å; D85-K89 PolarHBondContact OD1-N 2.95Å; N87-K89 HydrophobicContact CB-CG 4.43Å; N87-K89 PolarHBondContact O-N 2.89Å; K89-V91 PolarHBondContact O-N 3.19Å; K89-E118 HydrophobicContact CB-CB 4.2Å; K89-E118 HydrophobicContact CB-CG 4.29Å; K89-E118 HydrophobicContact CG-CG 4.32Å
90	R	86.1	Confident	86.1	Confident	102 Å²	102	57.6 Å²	57.6	39%	0.385	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	120.6	177.7	-63.9	171.3	-169.9	-169.7	2.1	109.8	V82 T83 L84 I117 E118 Y121	V82-R90 HydrophobicContact CG1-CB 4.49Å; T83-R90 WeakPolarHBondContact O-CA 3.33Å; L84-R90 HydrophobicContact CD2-CG 3.95Å; R90-I117 HydrophobicContact CB-CD1 4.08Å; R90-I117 HydrophobicContact CB-CG1 3.65Å; R90-I117 WeakPolarHBondContact O-CG1 3.36Å; R90-I117 PolarHBondContact O-N 3.24Å; R90-E118 WeakPolarHBondContact CB-OE2 3.46Å; R90-E118 VanDerWaalsContact CG-OE2 3.31Å; R90-E118 WeakPolarHBondContact CG-OE2 3.31Å; R90-E118 PolarHBondContact N-OE2 2.83Å; R90-E118 PolarHBondContact O-N 3.27Å; R90-Y121 VanDerWaalsContact NH1-CE1 3.34Å
91	V	88.2	Confident	85.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.6	172.4	-65.4	0	0	0	0	110.4	K40 V82 T83 D85 K89 I93 K114 S115	K40-V91 HydrophobicContact CD-CG1 4.18Å; V82-V91 CarbonylContact C-O 3.31Å; V82-V91 WeakPolarHBondContact CA-O 3.4Å; T83-V91 HydrophobicContact CG2-CG2 3.64Å; T83-V91 PolarHBondContact N-O 3.48Å; T83-V91 PolarHBondContact O-N 2.79Å; T83-V91 VanDerWaalsContact O-O 3.13Å; D85-V91 HydrophobicContact CB-CG1 3.79Å; D85-V91 HydrophobicContact CB-CG2 4.09Å; K89-V91 PolarHBondContact O-N 3.19Å; V91-I93 HydrophobicContact CG2-CG1 4.47Å; V91-K114 HydrophobicContact CB-CG 4.04Å; V91-K114 HydrophobicContact CG1-CG 4.31Å; V91-K114 HydrophobicContact CG2-CG 4.2Å; V91-S115 CarbonylContact C-O 3.36Å; V91-S115 WeakPolarHBondContact CA-O 3.21Å; V91-S115 WeakPolarHBondContact CB-O 3.35Å
92	Y	90.1	Very high	84.1	Confident	42 Å²	42	59.4 Å²	59.4	17%	0.165	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.5	173.9	-176.6	-110.4	0	0	0	109	M1 N2 Q80 V82 N94 S115	M1-Y92 HydrophobicContact CE-CD1 3.6Å; M1-Y92 HydrophobicContact CE-CE1 4.21Å; M1-Y92 HydrophobicContact SD-CD1 3.64Å; M1-Y92 HydrophobicContact SD-CE1 4.25Å; N2-Y92 PolarHBondContact ND2-OH 3.05Å; N2-Y92 WeakPolarHBondContact OD1-CE1 3.12Å; N2-Y92 PolarHBondContact OD1-OH 3.25Å; N2-Y92 VanDerWaalsContact OD1-OH 3.08Å; Q80-Y92 PolarHBondContact OE1-OH 3.39Å; V82-Y92 HydrophobicContact CG2-CD2 3.77Å; V82-Y92 HydrophobicContact CG2-CE2 4.49Å; Y92-N94 HydrophobicContact CE1-CB 4.3Å; Y92-S115 PolarHBondContact N-O 3.38Å; Y92-S115 PolarHBondContact O-N 3.4Å
93	I	88.5	Confident	82.8	Confident	7 Å²	7	58.7 Å²	58.7	4%	0.036	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.4	179.9	-65.9	179	0	0	0	108.6	Q80 Y81 T83 V91 V95 Y112 V113 K114	Q80-I93 WeakPolarHBondContact CA-O 3.39Å; Y81-I93 HydrophobicContact CE1-CB 4.18Å; Y81-I93 HydrophobicContact CE1-CG2 3.95Å; Y81-I93 HydrophobicContact CE2-CB 4.12Å; Y81-I93 HydrophobicContact CE2-CD1 3.8Å; Y81-I93 HydrophobicContact CE2-CG1 4.37Å; Y81-I93 PolarHBondContact N-O 3.49Å; Y81-I93 VanDerWaalsContact N-O 3.09Å; Y81-I93 PolarHBondContact O-N 2.87Å; Y81-I93 VanDerWaalsContact OH-CD1 3.24Å; Y81-I93 WeakPolarHBondContact OH-CD1 3.24Å; T83-I93 HydrophobicContact CG2-CD1 3.43Å; T83-I93 VanDerWaalsContact CG2-CD1 3.43Å; T83-I93 HydrophobicContact CG2-CG1 4.1Å; V91-I93 HydrophobicContact CG2-CG1 4.47Å; I93-V95 HydrophobicContact CG2-CG2 4.09Å; I93-Y112 HydrophobicContact CD1-CE2 4.34Å; I93-Y112 HydrophobicContact CG1-CE2 4.49Å; I93-Y112 HydrophobicContact CG2-CD2 4.12Å; I93-Y112 HydrophobicContact CG2-CE2 3.54Å; I93-V113 CarbonylContact C-O 3.59Å; I93-V113 WeakPolarHBondContact CA-O 3.37Å; I93-K114 HydrophobicContact CG1-CG 4.31Å
94	N	90	Very high	81.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	111.5	175.7	-170.5	-23.3	0	0	0	109	M1 N2 V5 K79 Q80 Y92 V113	M1-N94 HydrophobicContact CE-CB 4.49Å; N2-N94 PolarHBondContact OD1-ND2 3.09Å; V5-N94 HydrophobicContact CG1-CB 4.49Å; V5-N94 HydrophobicContact CG2-CB 4.43Å; K79-N94 CarbonylContact O-C 3.47Å; K79-N94 WeakPolarHBondContact O-CA 3.21Å; Q80-N94 HydrophobicContact CG-CB 4.41Å; Q80-N94 PolarHBondContact NE2-ND2 2.94Å; Y92-N94 HydrophobicContact CE1-CB 4.3Å; N94-V113 PolarHBondContact N-O 2.71Å; N94-V113 PolarHBondContact O-N 3.02Å
95	V	89.1	Confident	80.6	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130	174.3	-172.3	0	0	0	0	108.2	M78 K79 I93 A110 L111 Y112	M78-V95 WeakPolarHBondContact CA-O 3.4Å; K79-V95 HydrophobicContact CB-CB 4.16Å; K79-V95 HydrophobicContact CB-CG2 4.27Å; K79-V95 PolarHBondContact N-O 3.09Å; K79-V95 VanDerWaalsContact N-O 3.09Å; K79-V95 PolarHBondContact O-N 2.82Å; I93-V95 HydrophobicContact CG2-CG2 4.09Å; V95-A110 HydrophobicContact CG1-CB 4.26Å; V95-L111 CarbonylContact C-O 3.54Å; V95-L111 WeakPolarHBondContact CA-O 3.46Å; V95-Y112 HydrophobicContact CG2-CD2 3.86Å
96	Q	89.3	Confident	80.3	Confident	22 Å²	22	64.2 Å²	64.2	10%	0.103	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	128.3	-178.5	-169.4	161.8	5.4	0	0	111.8	V5 A6 S9 A110 L111	V5-Q96 HydrophobicContact CG1-CB 4.28Å; V5-Q96 PolarHBondContact O-OE1 3.47Å; A6-Q96 VanDerWaalsContact CA-CD 3.48Å; A6-Q96 VanDerWaalsContact CA-NE2 3.26Å; A6-Q96 VanDerWaalsContact CB-NE2 3.28Å; S9-Q96 PolarHBondContact OG-NE2 2.92Å; Q96-A110 CarbonylContact O-C 3.52Å; Q96-A110 WeakPolarHBondContact O-CA 3.46Å; Q96-L111 PolarHBondContact N-O 3.05Å; Q96-L111 PolarHBondContact O-N 2.99Å
97	P	88.4	Confident	80.4	Confident	23 Å²	23	59.9 Å²	59.9	15%	0.149	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	140.1	174.7	21.1	-30.2	0	0	0	111.5	F76 V107	F76-P97 WeakPolarHBondContact O-CB 3.4Å; P97-V107 HydrophobicContact CB-CG1 3.95Å; P97-V107 HydrophobicContact CB-CG2 4.34Å
98	I	86.7	Confident	80.4	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118.2	170	-57.3	173.5	0	0	0	106.6	L12 M16 V44 V107 I108 G109 L111	L12-I98 HydrophobicContact CB-CD1 4.12Å; L12-I98 HydrophobicContact CD1-CD1 4.36Å; M16-I98 HydrophobicContact SD-CB 4.47Å; M16-I98 HydrophobicContact SD-CD1 3.82Å; M16-I98 HydrophobicContact SD-CG2 3.92Å; V44-I98 HydrophobicContact CG1-CD1 3.78Å; I98-V107 CarbonylContact O-C 3.46Å; I98-V107 WeakPolarHBondContact O-CA 3.34Å; I98-I108 HydrophobicContact CB-CG1 4.35Å; I98-I108 HydrophobicContact CG2-CD1 4.09Å; I98-I108 HydrophobicContact CG2-CG1 3.85Å; I98-I108 WeakPolarHBondContact O-CG1 3.38Å; I98-I108 PolarHBondContact O-N 2.81Å; I98-G109 PolarHBondContact N-O 3.23Å; I98-G109 PolarHBondContact O-N 3.16Å; I98-L111 HydrophobicContact CD1-CB 4.29Å; I98-L111 HydrophobicContact CG1-CB 4.28Å
99	Q	85.1	Confident	80.7	Confident	111 Å²	111	49.6 Å²	49.6	52%	0.519	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	144.1	-178	-66	178.1	1.8	0	0	110.2
100	S	78.1	Confident	80.9	Confident	20 Å²	20	45.2 Å²	45.2	14%	0.14	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-64	139.1	173.4	-178	0	0	0	0	111.6	T102 A106	S100-T102 PolarHBondContact O-N 2.95Å; S100-T102 PolarHBondContact OG-N 3.48Å; S100-T102 PolarHBondContact OG-OG1 3.02Å; S100-A106 PolarHBondContact N-O 2.88Å
101	P	72.9	Confident	81.1	Confident	80 Å²	80	40.4 Å²	40.4	52%	0.519	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17	170	-15.6	28.7	0	0	0	113.7	G13 A17 G103	G13-P101 WeakPolarHBondContact O-CD 3.43Å; A17-P101 HydrophobicContact CB-CG 3.7Å; P101-G103 PolarHBondContact O-N 3.11Å; P101-G103 VanDerWaalsContact O-N 3.1Å
102	T	63.1	Low	81.2	Confident	109 Å²	109	40.4 Å²	40.4	67%	0.669	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	17.6	-170.5	57.3	0	0	0	0	115.6	S100 D104	S100-T102 PolarHBondContact O-N 2.95Å; S100-T102 PolarHBondContact OG-N 3.48Å; S100-T102 PolarHBondContact OG-OG1 3.02Å; T102-D104 VanDerWaalsContact C-N 3.3Å; T102-D104 PolarHBondContact O-N 3.43Å
103	G	60.6	Low	81.2	Confident	62 Å²	62	38.5 Å²	38.5	64%	0.639	24%	0.243	S	C	*	.	S	Bend	trans	82.8	-13.1	166	0	0	0	0	0	116.7	P101 S105	P101-G103 PolarHBondContact O-N 3.11Å; P101-G103 VanDerWaalsContact O-N 3.1Å; G103-S105 VanDerWaalsContact C-N 3.28Å; G103-S105 PolarHBondContact O-N 3.38Å
104	D	60.5	Low	81.2	Confident	140 Å²	140	38.7 Å²	38.7	75%	0.749	24%	0.243	S	C	*	.	S	Bend	trans	-83.5	9.7	-178.5	-83.8	-18.3	0	0	0	114.9	T102 A106	T102-D104 VanDerWaalsContact C-N 3.3Å; T102-D104 PolarHBondContact O-N 3.43Å; D104-A106 PolarHBondContact O-N 3.08Å
105	S	64.6	Low	81.1	Confident	89 Å²	89	38.7 Å²	38.7	62%	0.622	24%	0.243	S	C	*	.			trans	50.2	19	-175.8	-58.4	0	0	0	0	114.1	G103 V107	G103-S105 VanDerWaalsContact C-N 3.28Å; G103-S105 PolarHBondContact O-N 3.38Å; S105-V107 PolarHBondContact O-N 3.03Å
106	A	77	Confident	81	Confident	47 Å²	47	40.5 Å²	40.5	39%	0.388	25%	0.253	S	S	.	.			trans	-67.6	124	179.1	0	0	0	0	0	108.6	S100 D104 I108	S100-A106 PolarHBondContact N-O 2.88Å; D104-A106 PolarHBondContact O-N 3.08Å; A106-I108 PolarHBondContact O-N 3.21Å
107	V	82.2	Confident	80.9	Confident	61 Å²	61	40.7 Å²	40.7	37%	0.37	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	113.9	173.4	-177.8	0	0	0	0	107.1	F76 P97 I98 S105 G109	F76-V107 HydrophobicContact CB-CG1 3.66Å; F76-V107 HydrophobicContact CD1-CG1 4.31Å; F76-V107 HydrophobicContact CG-CG1 4.1Å; P97-V107 HydrophobicContact CB-CG1 3.95Å; P97-V107 HydrophobicContact CB-CG2 4.34Å; I98-V107 CarbonylContact O-C 3.46Å; I98-V107 WeakPolarHBondContact O-CA 3.34Å; S105-V107 PolarHBondContact O-N 3.03Å; V107-G109 VanDerWaalsContact CG1-O 3.29Å; V107-G109 WeakPolarHBondContact CG1-O 3.07Å
108	I	82.9	Confident	80.7	Confident	35 Å²	35	42.6 Å²	42.6	18%	0.179	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-4.2	-177.6	55	173.4	0	0	0	112.2	M16 D47 I98 A106	M16-I108 HydrophobicContact CB-CD1 3.71Å; M16-I108 WeakPolarHBondContact CE-O 3.41Å; D47-I108 PolarHBondContact N-O 2.71Å; D47-I108 VanDerWaalsContact N-O 3.14Å; I98-I108 HydrophobicContact CB-CG1 4.35Å; I98-I108 HydrophobicContact CG2-CD1 4.09Å; I98-I108 HydrophobicContact CG2-CG1 3.85Å; I98-I108 WeakPolarHBondContact O-CG1 3.38Å; I98-I108 PolarHBondContact O-N 2.81Å; A106-I108 PolarHBondContact O-N 3.21Å
109	G	86.1	Confident	80.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.8	-170.3	179.2	0	0	0	0	0	113	V45 I98 V107	V45-G109 CarbonylContact O-C 3.56Å; V45-G109 WeakPolarHBondContact O-CA 3.2Å; I98-G109 PolarHBondContact N-O 3.23Å; I98-G109 PolarHBondContact O-N 3.16Å; V107-G109 VanDerWaalsContact CG1-O 3.29Å; V107-G109 WeakPolarHBondContact CG1-O 3.07Å
110	A	89.9	Confident	79.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.8	172.6	0	0	0	0	0	111.8	V45 I73 F76 V95 Q96	V45-A110 PolarHBondContact N-O 2.62Å; V45-A110 PolarHBondContact O-N 2.79Å; I73-A110 HydrophobicContact CG2-CB 3.66Å; F76-A110 HydrophobicContact CD1-CB 3.7Å; F76-A110 HydrophobicContact CE1-CB 4.39Å; V95-A110 HydrophobicContact CG1-CB 4.26Å; Q96-A110 CarbonylContact O-C 3.52Å; Q96-A110 WeakPolarHBondContact O-CA 3.46Å
111	L	89.7	Confident	79.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.2	169.4	173.1	64.3	0	0	0	108.5	V5 L8 L12 L31 W43 V44 V95 Q96 I98 V113	V5-L111 HydrophobicContact CG1-CD2 3.72Å; V5-L111 HydrophobicContact CG1-CG 4.35Å; L8-L111 HydrophobicContact CB-CD2 3.98Å; L8-L111 HydrophobicContact CD2-CD1 4.48Å; L8-L111 HydrophobicContact CD2-CD2 3.98Å; L8-L111 HydrophobicContact CG-CD2 4Å; L12-L111 HydrophobicContact CD1-CB 4.25Å; L12-L111 HydrophobicContact CD1-CD1 3.75Å; L12-L111 HydrophobicContact CD1-CD2 3.96Å; L12-L111 HydrophobicContact CD1-CG 4.18Å; L31-L111 HydrophobicContact CD2-CD1 3.97Å; W43-L111 WeakPolarHBondContact O-CA 3.27Å; V44-L111 HydrophobicContact CG2-CD1 4.05Å; V95-L111 CarbonylContact C-O 3.54Å; V95-L111 WeakPolarHBondContact CA-O 3.46Å; Q96-L111 PolarHBondContact N-O 3.05Å; Q96-L111 PolarHBondContact O-N 2.99Å; I98-L111 HydrophobicContact CD1-CB 4.29Å; I98-L111 HydrophobicContact CG1-CB 4.28Å; L111-V113 HydrophobicContact CD1-CG2 4.08Å; L111-V113 HydrophobicContact CD2-CG2 4.13Å; L111-V113 HydrophobicContact CG-CG2 3.88Å
112	Y	90.2	Very high	80.1	Confident	1 Å²	1	53.1 Å²	53.1	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.1	170.3	171.7	-92.6	0	0	0	109.3	E41 M42 W43 I73 I93 V95 K114	E41-Y112 HydrophobicContact CB-CE1 4.5Å; M42-Y112 CarbonylContact C-O 3.59Å; M42-Y112 WeakPolarHBondContact CA-O 3.32Å; W43-Y112 HydrophobicContact CB-CD1 4.46Å; W43-Y112 HydrophobicContact CD2-CD1 4.43Å; W43-Y112 HydrophobicContact CG-CD1 4.29Å; W43-Y112 PolarHBondContact N-O 3.22Å; W43-Y112 PolarHBondContact O-N 3.4Å; I73-Y112 HydrophobicContact CD1-CD2 3.77Å; I73-Y112 HydrophobicContact CD1-CG 3.75Å; I73-Y112 HydrophobicContact CG1-CD2 3.9Å; I73-Y112 HydrophobicContact CG1-CG 4.31Å; I93-Y112 HydrophobicContact CD1-CE2 4.34Å; I93-Y112 HydrophobicContact CG1-CE2 4.49Å; I93-Y112 HydrophobicContact CG2-CD2 4.12Å; I93-Y112 HydrophobicContact CG2-CE2 3.54Å; V95-Y112 HydrophobicContact CG2-CD2 3.86Å; Y112-K114 HydrophobicContact CE1-CB 3.78Å
113	V	89.6	Confident	80.9	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.7	175	-177.7	0	0	0	0	109.5	M1 V5 I39 E41 M42 I93 N94 L111	M1-V113 HydrophobicContact CE-CG1 3.77Å; V5-V113 HydrophobicContact CB-CG2 4.47Å; V5-V113 HydrophobicContact CG1-CB 4.42Å; V5-V113 HydrophobicContact CG1-CG2 3.73Å; V5-V113 HydrophobicContact CG2-CB 4.12Å; V5-V113 HydrophobicContact CG2-CG1 4.16Å; V5-V113 HydrophobicContact CG2-CG2 3.94Å; I39-V113 HydrophobicContact CG1-CG1 4.38Å; I39-V113 HydrophobicContact CG2-CG1 3.93Å; E41-V113 WeakPolarHBondContact O-CA 3.2Å; M42-V113 HydrophobicContact CG-CB 4.37Å; M42-V113 HydrophobicContact CG-CG1 4.04Å; M42-V113 HydrophobicContact CG-CG2 3.97Å; M42-V113 HydrophobicContact SD-CG1 4.43Å; M42-V113 HydrophobicContact SD-CG2 4.15Å; I93-V113 CarbonylContact C-O 3.59Å; I93-V113 WeakPolarHBondContact CA-O 3.37Å; N94-V113 PolarHBondContact N-O 2.71Å; N94-V113 PolarHBondContact O-N 3.02Å; L111-V113 HydrophobicContact CD1-CG2 4.08Å; L111-V113 HydrophobicContact CD2-CG2 4.13Å; L111-V113 HydrophobicContact CG-CG2 3.88Å
114	K	89	Confident	82	Confident	11 Å²	11	54.9 Å²	54.9	5%	0.048	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.9	175.3	-178.6	-170	-174	-177.7	0	109	K40 E41 V91 I93 Y112	K40-K114 PolarHBondContact N-O 2.88Å; E41-K114 HydrophobicContact CB-CB 4.2Å; E41-K114 HydrophobicContact CB-CD 4.29Å; E41-K114 VanDerWaalsContact CD-NZ 3.29Å; E41-K114 HydrophobicContact CG-CD 4.46Å; E41-K114 PolarHBondContact N-O 3.45Å; E41-K114 PolarHBondContact O-N 3.17Å; E41-K114 IonicContact OE1-NZ 3.82Å; E41-K114 PolarHBondContact OE1-NZ 3.15Å; E41-K114 VanDerWaalsContact OE2-CD 3.22Å; E41-K114 WeakPolarHBondContact OE2-CD 3.36Å; E41-K114 IonicContact OE2-NZ 3.25Å; E41-K114 PolarHBondContact OE2-NZ 2.91Å; V91-K114 HydrophobicContact CB-CG 4.04Å; V91-K114 HydrophobicContact CG1-CG 4.31Å; V91-K114 HydrophobicContact CG2-CG 4.2Å; I93-K114 HydrophobicContact CG1-CG 4.31Å; Y112-K114 HydrophobicContact CE1-CB 3.78Å
115	S	88.2	Confident	82.9	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.1	-179.7	-77	0	0	0	0	113.7	M1 D38 I39 V91 Y92 I117	M1-S115 WeakPolarHBondContact CE-OG 3.4Å; M1-S115 WeakPolarHBondContact SD-CB 3.48Å; M1-S115 PolarHBondContact SD-OG 3.22Å; D38-S115 CarbonylContact O-C 3.59Å; D38-S115 VanDerWaalsContact O-C 3.31Å; D38-S115 WeakPolarHBondContact O-CA 3.37Å; D38-S115 WeakPolarHBondContact O-CB 3.23Å; D38-S115 PolarHBondContact O-OG 2.95Å; D38-S115 VanDerWaalsContact O-OG 3.05Å; I39-S115 WeakPolarHBondContact CG1-OG 3.42Å; V91-S115 CarbonylContact C-O 3.36Å; V91-S115 WeakPolarHBondContact CA-O 3.21Å; V91-S115 WeakPolarHBondContact CB-O 3.35Å; Y92-S115 PolarHBondContact N-O 3.38Å; Y92-S115 PolarHBondContact O-N 3.4Å; S115-I117 PolarHBondContact O-N 2.92Å
116	D	87.3	Confident	83.8	Confident	38 Å²	38	51.1 Å²	51.1	20%	0.203	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	119.1	173.7	-161.7	-38.3	0	0	0	110.2	D38 K40 E118	D38-D116 PolarHBondContact O-N 3.38Å; K40-D116 HydrophobicContact CD-CB 4.2Å; K40-D116 WeakPolarHBondContact CE-OD2 3.37Å; K40-D116 HydrophobicContact CG-CB 4.3Å; K40-D116 IonicContact NZ-OD2 3.14Å; K40-D116 PolarHBondContact NZ-OD2 2.86Å; D116-E118 WeakPolarHBondContact OD1-CB 3.46Å; D116-E118 PolarHBondContact OD1-N 2.91Å
117	I	86.4	Confident	84.2	Confident	25 Å²	25	52.2 Å²	52.2	13%	0.128	27%	0.274	C	S	.	.			trans	-113.2	-0.7	175.2	63.4	172.8	0	0	0	112.2	V82 R90 S115 Q119 K120 Y121	V82-I117 HydrophobicContact CB-CD1 4.32Å; V82-I117 HydrophobicContact CG1-CD1 3.59Å; V82-I117 HydrophobicContact CG2-CD1 3.77Å; R90-I117 HydrophobicContact CB-CD1 4.08Å; R90-I117 HydrophobicContact CB-CG1 3.65Å; R90-I117 WeakPolarHBondContact O-CG1 3.36Å; R90-I117 PolarHBondContact O-N 3.24Å; S115-I117 PolarHBondContact O-N 2.92Å; I117-Q119 VanDerWaalsContact C-N 3.28Å; I117-Q119 PolarHBondContact O-N 2.49Å; I117-K120 PolarHBondContact O-N 3.26Å; I117-Y121 HydrophobicContact CD1-CD2 4.46Å; I117-Y121 HydrophobicContact CD1-CE2 3.87Å; I117-Y121 HydrophobicContact CG1-CD2 4.4Å; I117-Y121 HydrophobicContact CG1-CE2 4.29Å; I117-Y121 WeakPolarHBondContact O-CD2 3.21Å; I117-Y121 PolarHBondContact O-N 3.31Å
118	E	83.9	Confident	84.5	Confident	63 Å²	63	52 Å²	52	29%	0.294	28%	0.278	S	S	.	.	H	α-helix	trans	-60.2	-41.9	-179.3	-170	61.3	-145.7	0	0	110.7	K89 R90 D116 K120 Y121 S122	K89-E118 HydrophobicContact CB-CB 4.2Å; K89-E118 HydrophobicContact CB-CG 4.29Å; K89-E118 HydrophobicContact CG-CG 4.32Å; R90-E118 WeakPolarHBondContact CB-OE2 3.46Å; R90-E118 VanDerWaalsContact CG-OE2 3.31Å; R90-E118 WeakPolarHBondContact CG-OE2 3.31Å; R90-E118 PolarHBondContact N-OE2 2.83Å; R90-E118 PolarHBondContact O-N 3.27Å; D116-E118 WeakPolarHBondContact OD1-CB 3.46Å; D116-E118 PolarHBondContact OD1-N 2.91Å; E118-K120 VanDerWaalsContact C-N 3.35Å; E118-K120 PolarHBondContact O-N 3.04Å; E118-Y121 PolarHBondContact O-N 2.89Å; E118-S122 PolarHBondContact O-N 3.18Å
119	Q	76.8	Confident	84.7	Confident	130 Å²	130	55.3 Å²	55.3	61%	0.607	30%	0.296	S	S	*	.	H	α-helix	trans	-58.4	-44.8	178.4	-173.4	175.4	-10.6	0	0	111.9	I117 Y121 S122 E123	I117-Q119 VanDerWaalsContact C-N 3.28Å; I117-Q119 PolarHBondContact O-N 2.49Å; Q119-Y121 VanDerWaalsContact C-N 3.34Å; Q119-Y121 PolarHBondContact O-N 3.21Å; Q119-S122 PolarHBondContact O-N 3.21Å; Q119-S122 PolarHBondContact O-OG 2.85Å; Q119-E123 PolarHBondContact NE2-OE1 3.26Å; Q119-E123 WeakPolarHBondContact O-CG 3.38Å; Q119-E123 PolarHBondContact O-N 3.45Å
120	K	79.1	Confident	85	Confident	129 Å²	129	60.8 Å²	60.8	56%	0.561	32%	0.324	S	S	*	.	H	α-helix	trans	-63.5	-37.8	178.3	-75.1	-177.1	177.1	170	0	112.5	I117 E118 E123 I124	I117-K120 PolarHBondContact O-N 3.26Å; E118-K120 VanDerWaalsContact C-N 3.35Å; E118-K120 PolarHBondContact O-N 3.04Å; K120-E123 PolarHBondContact O-N 2.79Å; K120-I124 WeakPolarHBondContact O-CG1 3.37Å; K120-I124 PolarHBondContact O-N 3.35Å
121	Y	78.6	Confident	85.1	Confident	110 Å²	110	67.7 Å²	67.7	43%	0.431	35%	0.354	S	S	.	.	H	α-helix	trans	-68.3	-36.8	175.1	-83.2	-79.4	0	0	0	112.2	R90 I117 E118 Q119 E123 I124 G125	R90-Y121 VanDerWaalsContact NH1-CE1 3.34Å; I117-Y121 HydrophobicContact CD1-CD2 4.46Å; I117-Y121 HydrophobicContact CD1-CE2 3.87Å; I117-Y121 HydrophobicContact CG1-CD2 4.4Å; I117-Y121 HydrophobicContact CG1-CE2 4.29Å; I117-Y121 WeakPolarHBondContact O-CD2 3.21Å; I117-Y121 PolarHBondContact O-N 3.31Å; E118-Y121 PolarHBondContact O-N 2.89Å; Q119-Y121 VanDerWaalsContact C-N 3.34Å; Q119-Y121 PolarHBondContact O-N 3.21Å; Y121-E123 VanDerWaalsContact C-N 3.34Å; Y121-I124 HydrophobicContact CD1-CD1 4.47Å; Y121-I124 PolarHBondContact O-N 3.2Å; Y121-G125 PolarHBondContact O-N 2.97Å
122	S	77.2	Confident	85.3	Confident	63 Å²	63	74.2 Å²	74.2	44%	0.441	38%	0.383	S	S	.	.	H	α-helix	trans	-65.9	-35.9	175.3	76.9	0	0	0	0	112.6	E118 Q119 G125 N126	E118-S122 PolarHBondContact O-N 3.18Å; Q119-S122 PolarHBondContact O-N 3.21Å; Q119-S122 PolarHBondContact O-OG 2.85Å; S122-G125 PolarHBondContact O-N 3.37Å; S122-N126 PolarHBondContact O-N 2.89Å
123	E	78.1	Confident	85.5	Confident	100 Å²	100	77.1 Å²	77.1	47%	0.467	40%	0.401	S	S	.	.	H	α-helix	trans	-67	-35.6	175.1	-73	174.9	-170.7	0	0	112.6	Q119 K120 Y121 G125 N126 T127	Q119-E123 PolarHBondContact NE2-OE1 3.26Å; Q119-E123 WeakPolarHBondContact O-CG 3.38Å; Q119-E123 PolarHBondContact O-N 3.45Å; K120-E123 PolarHBondContact O-N 2.79Å; Y121-E123 VanDerWaalsContact C-N 3.34Å; E123-G125 VanDerWaalsContact C-N 3.31Å; E123-G125 PolarHBondContact O-N 3Å; E123-N126 PolarHBondContact O-N 3.3Å; E123-T127 WeakPolarHBondContact O-CB 3.45Å; E123-T127 PolarHBondContact O-N 3.46Å; E123-T127 PolarHBondContact O-OG1 3.42Å
124	I	84	Confident	85.7	Confident	109 Å²	109	79.4 Å²	79.4	56%	0.559	42%	0.42	S	S	*	.	H	α-helix	trans	-61.1	-41.4	173.1	-68.7	167.8	0	0	0	110.7	K120 Y121 T127 A128	K120-I124 WeakPolarHBondContact O-CG1 3.37Å; K120-I124 PolarHBondContact O-N 3.35Å; Y121-I124 HydrophobicContact CD1-CD1 4.47Å; Y121-I124 PolarHBondContact O-N 3.2Å; I124-T127 PolarHBondContact O-N 3.4Å; I124-A128 WeakPolarHBondContact O-CB 3.38Å; I124-A128 PolarHBondContact O-N 2.92Å
125	G	80.3	Confident	86	Confident	42 Å²	42	82.6 Å²	82.6	43%	0.433	44%	0.444	S	S	.	.	H	α-helix	trans	-61.7	-46.1	177.9	0	0	0	0	0	113.1	Y121 S122 E123 A128 L129	Y121-G125 PolarHBondContact O-N 2.97Å; S122-G125 PolarHBondContact O-N 3.37Å; E123-G125 VanDerWaalsContact C-N 3.31Å; E123-G125 PolarHBondContact O-N 3Å; G125-A128 PolarHBondContact O-N 3.3Å; G125-L129 PolarHBondContact O-N 3.03Å
126	N	83.1	Confident	86.3	Confident	107 Å²	107	87.1 Å²	87.1	57%	0.572	47%	0.467	S	S	*	.	H	α-helix	trans	-65.7	-40.2	177.1	-74.5	-20.8	0	0	0	112.2	S122 E123 L129 I130	S122-N126 PolarHBondContact O-N 2.89Å; E123-N126 PolarHBondContact O-N 3.3Å; N126-L129 PolarHBondContact O-N 3.42Å; N126-I130 WeakPolarHBondContact O-CG1 3.38Å; N126-I130 PolarHBondContact O-N 3.03Å
127	T	86.5	Confident	86.7	Confident	71 Å²	71	90 Å²	90	44%	0.436	48%	0.481	S	S	.	.	H	α-helix	trans	-63.6	-44.3	176.8	-53.1	0	0	0	0	110.9	E123 I124 L129 I130 F131	E123-T127 WeakPolarHBondContact O-CB 3.45Å; E123-T127 PolarHBondContact O-N 3.46Å; E123-T127 PolarHBondContact O-OG1 3.42Å; I124-T127 PolarHBondContact O-N 3.4Å; T127-L129 VanDerWaalsContact C-N 3.33Å; T127-L129 PolarHBondContact O-N 3.25Å; T127-I130 PolarHBondContact O-N 3.04Å; T127-F131 HydrophobicContact CG2-CD2 3.91Å; T127-F131 HydrophobicContact CG2-CE2 3.82Å; T127-F131 WeakPolarHBondContact O-CD2 3.34Å; T127-F131 PolarHBondContact O-N 3.01Å
128	A	87.6	Confident	87.2	Confident	57 Å²	57	91.2 Å²	91.2	47%	0.471	50%	0.495	S	S	.	.	H	α-helix	trans	-61	-39.6	175.8	0	0	0	0	0	112.3	I124 G125 F131 F132	I124-A128 WeakPolarHBondContact O-CB 3.38Å; I124-A128 PolarHBondContact O-N 2.92Å; G125-A128 PolarHBondContact O-N 3.3Å; A128-F131 PolarHBondContact O-N 2.91Å; A128-F132 WeakPolarHBondContact O-CB 3.36Å; A128-F132 PolarHBondContact O-N 3.49Å
129	L	87	Confident	87.8	Confident	104 Å²	104	89.7 Å²	89.7	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-64.8	-40.5	176	-174.4	67	0	0	0	112.2	G125 N126 T127 F132 T133	G125-L129 PolarHBondContact O-N 3.03Å; N126-L129 PolarHBondContact O-N 3.42Å; T127-L129 VanDerWaalsContact C-N 3.33Å; T127-L129 PolarHBondContact O-N 3.25Å; L129-F132 PolarHBondContact O-N 3.4Å; L129-T133 HydrophobicContact CD1-CG2 4.38Å; L129-T133 WeakPolarHBondContact O-CB 3.46Å; L129-T133 WeakPolarHBondContact O-CG2 3.36Å; L129-T133 PolarHBondContact O-N 2.83Å; L129-T133 PolarHBondContact O-OG1 2.88Å
130	I	91.7	Very high	88.7	Confident	114 Å²	114	88.4 Å²	88.4	59%	0.585	49%	0.493	S	S	*	.	H	α-helix	trans	-62.9	-46.1	175.2	-67	165.7	0	0	0	110.5	N126 T127 F132 T133 A134	N126-I130 WeakPolarHBondContact O-CG1 3.38Å; N126-I130 PolarHBondContact O-N 3.03Å; T127-I130 PolarHBondContact O-N 3.04Å; I130-F132 PolarHBondContact O-N 3.36Å; I130-T133 WeakPolarHBondContact CA-OG1 3.22Å; I130-T133 PolarHBondContact O-N 2.95Å; I130-T133 PolarHBondContact O-OG1 2.97Å; I130-T133 VanDerWaalsContact O-OG1 3.04Å; I130-A134 WeakPolarHBondContact O-CB 3.4Å; I130-A134 PolarHBondContact O-N 3.26Å
131	F	93.2	Very high	89.5	Confident	146 Å²	146	87 Å²	87	64%	0.64	49%	0.491	S	S	*	.	H	α-helix	trans	-62	-41.5	176.3	-87.9	-75.1	0	0	0	112.5	T127 A128 S135	T127-F131 HydrophobicContact CG2-CD2 3.91Å; T127-F131 HydrophobicContact CG2-CE2 3.82Å; T127-F131 WeakPolarHBondContact O-CD2 3.34Å; T127-F131 PolarHBondContact O-N 3.01Å; A128-F131 PolarHBondContact O-N 2.91Å; F131-S135 VanDerWaalsContact O-CB 3.31Å; F131-S135 WeakPolarHBondContact O-CB 3.46Å; F131-S135 PolarHBondContact O-N 2.92Å; F131-S135 PolarHBondContact O-OG 3.39Å
132	F	93.2	Very high	90.4	Very high	136 Å²	136	85.4 Å²	85.4	60%	0.596	50%	0.496	S	S	*	.	H	α-helix	trans	-65.2	-46.8	178.4	-175.2	-98	0	0	0	111.9	A128 L129 I130 S135 L136	A128-F132 WeakPolarHBondContact O-CB 3.36Å; A128-F132 PolarHBondContact O-N 3.49Å; L129-F132 PolarHBondContact O-N 3.4Å; I130-F132 PolarHBondContact O-N 3.36Å; F132-S135 PolarHBondContact O-N 2.74Å; F132-L136 HydrophobicContact CE1-CD1 4.38Å; F132-L136 WeakPolarHBondContact O-CB 3.33Å; F132-L136 PolarHBondContact O-N 3.39Å
133	T	93.7	Very high	91.3	Very high	62 Å²	62	87.3 Å²	87.3	38%	0.38	50%	0.5	S	S	.	.	H	α-helix	trans	-66.8	-41	178.1	51	0	0	0	0	112.3	L129 I130 S135 L136 I137	L129-T133 HydrophobicContact CD1-CG2 4.38Å; L129-T133 WeakPolarHBondContact O-CB 3.46Å; L129-T133 WeakPolarHBondContact O-CG2 3.36Å; L129-T133 PolarHBondContact O-N 2.83Å; L129-T133 PolarHBondContact O-OG1 2.88Å; I130-T133 WeakPolarHBondContact CA-OG1 3.22Å; I130-T133 PolarHBondContact O-N 2.95Å; I130-T133 PolarHBondContact O-OG1 2.97Å; I130-T133 VanDerWaalsContact O-OG1 3.04Å; T133-S135 PolarHBondContact O-N 3.39Å; T133-L136 PolarHBondContact O-N 3.39Å; T133-I137 WeakPolarHBondContact O-CG1 3.35Å; T133-I137 PolarHBondContact O-N 2.9Å
134	A	94.4	Very high	92.2	Very high	50 Å²	50	86.5 Å²	86.5	41%	0.413	50%	0.502	S	S	.	.	H	α-helix	trans	-62.2	-41.8	173.8	0	0	0	0	0	112	I130 L136 I137 A138	I130-A134 WeakPolarHBondContact O-CB 3.4Å; I130-A134 PolarHBondContact O-N 3.26Å; A134-L136 VanDerWaalsContact C-N 3.35Å; A134-I137 PolarHBondContact O-N 3.46Å; A134-A138 WeakPolarHBondContact O-CB 3.31Å; A134-A138 PolarHBondContact O-N 3.46Å
135	S	95.7	Very high	92.8	Very high	78 Å²	78	85 Å²	85	55%	0.545	50%	0.498	S	S	.	.	H	α-helix	trans	-64.3	-38.6	175.3	-59.1	0	0	0	0	112	F131 F132 T133 A138 G139	F131-S135 VanDerWaalsContact O-CB 3.31Å; F131-S135 WeakPolarHBondContact O-CB 3.46Å; F131-S135 PolarHBondContact O-N 2.92Å; F131-S135 PolarHBondContact O-OG 3.39Å; F132-S135 PolarHBondContact O-N 2.74Å; T133-S135 PolarHBondContact O-N 3.39Å; S135-A138 PolarHBondContact O-N 3.49Å; S135-G139 PolarHBondContact O-N 3.23Å
136	L	95.3	Very high	93.5	Very high	96 Å²	96	85.9 Å²	85.9	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-65.7	-42.8	176.7	-166.3	121.4	0	0	0	111.7	F132 T133 A134 G139 L140	F132-L136 HydrophobicContact CE1-CD1 4.38Å; F132-L136 WeakPolarHBondContact O-CB 3.33Å; F132-L136 PolarHBondContact O-N 3.39Å; T133-L136 PolarHBondContact O-N 3.39Å; A134-L136 VanDerWaalsContact C-N 3.35Å; L136-G139 PolarHBondContact O-N 2.97Å; L136-L140 HydrophobicContact CD2-CD1 4.06Å; L136-L140 WeakPolarHBondContact O-CG 3.37Å; L136-L140 PolarHBondContact O-N 3.39Å
137	I	95.7	Very high	94.1	Very high	98 Å²	98	85.5 Å²	85.5	50%	0.503	50%	0.498	S	S	.	.	H	α-helix	trans	-64.6	-46.2	175.4	-66.5	166.1	0	0	0	110.9	T133 A134 G139 L140 I141	T133-I137 WeakPolarHBondContact O-CG1 3.35Å; T133-I137 PolarHBondContact O-N 2.9Å; A134-I137 PolarHBondContact O-N 3.46Å; I137-G139 VanDerWaalsContact C-N 3.29Å; I137-G139 PolarHBondContact O-N 2.94Å; I137-L140 PolarHBondContact O-N 2.89Å; I137-I141 HydrophobicContact CG2-CD1 3.84Å; I137-I141 HydrophobicContact CG2-CG1 4.44Å; I137-I141 WeakPolarHBondContact O-CG1 3.47Å; I137-I141 PolarHBondContact O-N 2.93Å
138	A	96.2	Very high	94.3	Very high	50 Å²	50	87.4 Å²	87.4	41%	0.413	51%	0.505	S	S	.	.	H	α-helix	trans	-61.2	-38.3	176.9	0	0	0	0	0	112	A134 S135 I141 S142	A134-A138 WeakPolarHBondContact O-CB 3.31Å; A134-A138 PolarHBondContact O-N 3.46Å; S135-A138 PolarHBondContact O-N 3.49Å; A138-I141 PolarHBondContact O-N 2.79Å; A138-S142 WeakPolarHBondContact O-CB 3.38Å; A138-S142 PolarHBondContact O-N 3.48Å; A138-S142 PolarHBondContact O-OG 2.92Å
139	G	96.6	Very high	94.4	Very high	32 Å²	32	88.2 Å²	88.2	33%	0.33	50%	0.504	S	S	.	.	H	α-helix	trans	-62.8	-46.4	173.7	0	0	0	0	0	112.4	S135 L136 I137 S142 I143	S135-G139 PolarHBondContact O-N 3.23Å; L136-G139 PolarHBondContact O-N 2.97Å; I137-G139 VanDerWaalsContact C-N 3.29Å; I137-G139 PolarHBondContact O-N 2.94Å; G139-S142 PolarHBondContact O-N 3.47Å; G139-I143 VanDerWaalsContact O-CG1 3.3Å; G139-I143 WeakPolarHBondContact O-CG1 3.47Å; G139-I143 PolarHBondContact O-N 3.4Å
140	L	96	Very high	94.7	Very high	102 Å²	102	85.6 Å²	85.6	53%	0.534	50%	0.497	S	S	.	.	H	α-helix	trans	-61.1	-46	175.8	-78.2	167.5	0	0	0	112	L136 I137 S142 I143 V144	L136-L140 HydrophobicContact CD2-CD1 4.06Å; L136-L140 WeakPolarHBondContact O-CG 3.37Å; L136-L140 PolarHBondContact O-N 3.39Å; I137-L140 PolarHBondContact O-N 2.89Å; L140-S142 VanDerWaalsContact C-N 3.34Å; L140-S142 PolarHBondContact O-N 3.18Å; L140-I143 PolarHBondContact O-N 3.29Å; L140-V144 WeakPolarHBondContact O-CG2 3.3Å; L140-V144 PolarHBondContact O-N 3.47Å
141	I	96.4	Very high	94.6	Very high	100 Å²	100	89 Å²	89	51%	0.513	50%	0.503	S	S	.	.	H	α-helix	trans	-60.8	-45	176.8	-67.5	169.1	0	0	0	110.6	I137 A138 I143 V144 V145	I137-I141 HydrophobicContact CG2-CD1 3.84Å; I137-I141 HydrophobicContact CG2-CG1 4.44Å; I137-I141 WeakPolarHBondContact O-CG1 3.47Å; I137-I141 PolarHBondContact O-N 2.93Å; A138-I141 PolarHBondContact O-N 2.79Å; I141-I143 VanDerWaalsContact C-N 3.32Å; I141-I143 PolarHBondContact O-N 2.91Å; I141-V144 PolarHBondContact O-N 3.33Å; I141-V145 HydrophobicContact CG2-CG2 4.34Å; I141-V145 WeakPolarHBondContact O-CG2 3.29Å; I141-V145 PolarHBondContact O-N 2.91Å
142	S	96.8	Very high	94.2	Very high	77 Å²	77	85.4 Å²	85.4	54%	0.538	50%	0.496	S	S	.	.	H	α-helix	trans	-60.6	-40.9	178.2	-59.4	0	0	0	0	112.1	A138 G139 L140 V145 A146	A138-S142 WeakPolarHBondContact O-CB 3.38Å; A138-S142 PolarHBondContact O-N 3.48Å; A138-S142 PolarHBondContact O-OG 2.92Å; G139-S142 PolarHBondContact O-N 3.47Å; L140-S142 VanDerWaalsContact C-N 3.34Å; L140-S142 PolarHBondContact O-N 3.18Å; S142-V145 PolarHBondContact O-N 3.34Å; S142-A146 VanDerWaalsContact O-CB 3.29Å; S142-A146 WeakPolarHBondContact O-CB 3.4Å; S142-A146 PolarHBondContact O-N 3.01Å
143	I	96.8	Very high	93.9	Very high	102 Å²	102	82.6 Å²	82.6	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-63.1	-44.8	175.2	-69	165.8	0	0	0	110.8	G139 L140 I141 A146 L147	G139-I143 VanDerWaalsContact O-CG1 3.3Å; G139-I143 WeakPolarHBondContact O-CG1 3.47Å; G139-I143 PolarHBondContact O-N 3.4Å; L140-I143 PolarHBondContact O-N 3.29Å; I141-I143 VanDerWaalsContact C-N 3.32Å; I141-I143 PolarHBondContact O-N 2.91Å; I143-A146 PolarHBondContact O-N 2.99Å; I143-L147 HydrophobicContact CG2-CD1 3.95Å; I143-L147 HydrophobicContact CG2-CG 4.44Å; I143-L147 WeakPolarHBondContact O-CB 3.44Å; I143-L147 VanDerWaalsContact O-CG 3.28Å; I143-L147 WeakPolarHBondContact O-CG 3.28Å; I143-L147 PolarHBondContact O-N 3.18Å
144	V	96.1	Very high	93.8	Very high	83 Å²	83	84 Å²	84	50%	0.503	50%	0.495	S	S	.	.	H	α-helix	trans	-61.9	-46.6	178.6	172.3	0	0	0	0	111	L140 I141 L147 L148	L140-V144 WeakPolarHBondContact O-CG2 3.3Å; L140-V144 PolarHBondContact O-N 3.47Å; I141-V144 PolarHBondContact O-N 3.33Å; V144-L147 PolarHBondContact O-N 3.01Å; V144-L148 HydrophobicContact CG1-CD1 4.27Å; V144-L148 WeakPolarHBondContact O-CG 3.43Å; V144-L148 PolarHBondContact O-N 2.97Å
145	V	95.9	Very high	93.4	Very high	79 Å²	79	87.6 Å²	87.6	48%	0.479	50%	0.501	S	S	.	.	H	α-helix	trans	-62.6	-45.1	177.6	173.6	0	0	0	0	111.2	I141 S142 L147 L148 V149	I141-V145 HydrophobicContact CG2-CG2 4.34Å; I141-V145 WeakPolarHBondContact O-CG2 3.29Å; I141-V145 PolarHBondContact O-N 2.91Å; S142-V145 PolarHBondContact O-N 3.34Å; V145-L147 VanDerWaalsContact C-N 3.31Å; V145-L147 PolarHBondContact O-N 3.07Å; V145-L148 PolarHBondContact O-N 3.38Å; V145-V149 HydrophobicContact CG1-CG2 4.41Å; V145-V149 WeakPolarHBondContact O-CG2 3.43Å; V145-V149 PolarHBondContact O-N 2.91Å
146	A	95.5	Very high	93	Very high	60 Å²	60	85.6 Å²	85.6	50%	0.496	49%	0.486	S	S	.	.	H	α-helix	trans	-59.5	-41.2	177.3	0	0	0	0	0	112.1	S142 I143 A150	S142-A146 VanDerWaalsContact O-CB 3.29Å; S142-A146 WeakPolarHBondContact O-CB 3.4Å; S142-A146 PolarHBondContact O-N 3.01Å; I143-A146 PolarHBondContact O-N 2.99Å; A146-A150 VanDerWaalsContact O-CB 3.24Å; A146-A150 WeakPolarHBondContact O-CB 3.39Å; A146-A150 PolarHBondContact O-N 2.91Å
147	L	95.1	Very high	92.8	Very high	98 Å²	98	85 Å²	85	51%	0.513	48%	0.482	S	S	.	.	H	α-helix	trans	-67.3	-36.8	176.4	-72.1	172.6	0	0	0	112.8	I143 V144 V145 R151	I143-L147 HydrophobicContact CG2-CD1 3.95Å; I143-L147 HydrophobicContact CG2-CG 4.44Å; I143-L147 WeakPolarHBondContact O-CB 3.44Å; I143-L147 VanDerWaalsContact O-CG 3.28Å; I143-L147 WeakPolarHBondContact O-CG 3.28Å; I143-L147 PolarHBondContact O-N 3.18Å; V144-L147 PolarHBondContact O-N 3.01Å; V145-L147 VanDerWaalsContact C-N 3.31Å; V145-L147 PolarHBondContact O-N 3.07Å; L147-R151 WeakPolarHBondContact O-CB 3.31Å; L147-R151 VanDerWaalsContact O-CG 3.31Å; L147-R151 WeakPolarHBondContact O-CG 3.4Å; L147-R151 PolarHBondContact O-N 3.32Å; L147-R151 VanDerWaalsContact O-N 3.07Å
148	L	91.9	Very high	92.5	Very high	111 Å²	111	86.2 Å²	86.2	58%	0.581	48%	0.484	S	S	*	.	H	α-helix	trans	-65.9	-47.3	175.5	-72	174.9	0	0	0	111.4	V144 V145 R151 S152	V144-L148 HydrophobicContact CG1-CD1 4.27Å; V144-L148 WeakPolarHBondContact O-CG 3.43Å; V144-L148 PolarHBondContact O-N 2.97Å; V145-L148 PolarHBondContact O-N 3.38Å; L148-R151 PolarHBondContact O-N 3.4Å; L148-S152 WeakPolarHBondContact O-CB 3.47Å; L148-S152 PolarHBondContact O-N 2.97Å
149	V	90	Very high	92.1	Very high	75 Å²	75	87.2 Å²	87.2	46%	0.455	48%	0.48	S	S	.	.	H	α-helix	trans	-63.9	-45.3	177.8	175.1	0	0	0	0	111.1	V145 R151 S152 I153	V145-V149 HydrophobicContact CG1-CG2 4.41Å; V145-V149 WeakPolarHBondContact O-CG2 3.43Å; V145-V149 PolarHBondContact O-N 2.91Å; V149-R151 VanDerWaalsContact C-N 3.29Å; V149-R151 PolarHBondContact O-N 3.2Å; V149-S152 WeakPolarHBondContact O-CB 3.45Å; V149-S152 PolarHBondContact O-N 3.24Å; V149-S152 VanDerWaalsContact O-N 3.14Å; V149-I153 HydrophobicContact CG1-CD1 3.79Å; V149-I153 WeakPolarHBondContact O-CG1 3.5Å; V149-I153 PolarHBondContact O-N 3.13Å
150	A	91.4	Very high	91.7	Very high	48 Å²	48	86.5 Å²	86.5	40%	0.397	47%	0.469	S	S	.	.	H	α-helix	trans	-58.4	-42.4	177.3	0	0	0	0	0	111.7	A146 T154	A146-A150 VanDerWaalsContact O-CB 3.24Å; A146-A150 WeakPolarHBondContact O-CB 3.39Å; A146-A150 PolarHBondContact O-N 2.91Å; A150-T154 WeakPolarHBondContact O-CB 3.24Å; A150-T154 PolarHBondContact O-N 2.97Å; A150-T154 PolarHBondContact O-OG1 2.63Å
151	R	89.5	Confident	91.5	Very high	186 Å²	186	87.6 Å²	87.6	70%	0.702	47%	0.471	S	S	*	.	H	α-helix	trans	-67	-40.3	175.5	-76.9	179.3	174.4	173.6	-0	112.6	L147 L148 V149 I153 K155	L147-R151 WeakPolarHBondContact O-CB 3.31Å; L147-R151 VanDerWaalsContact O-CG 3.31Å; L147-R151 WeakPolarHBondContact O-CG 3.4Å; L147-R151 PolarHBondContact O-N 3.32Å; L147-R151 VanDerWaalsContact O-N 3.07Å; L148-R151 PolarHBondContact O-N 3.4Å; V149-R151 VanDerWaalsContact C-N 3.29Å; V149-R151 PolarHBondContact O-N 3.2Å; R151-I153 VanDerWaalsContact C-N 3.27Å; R151-I153 PolarHBondContact O-N 3.36Å; R151-K155 WeakPolarHBondContact O-CB 3.46Å; R151-K155 PolarHBondContact O-N 3.18Å
152	S	84.9	Confident	91.2	Very high	71 Å²	71	88.8 Å²	88.8	50%	0.497	47%	0.473	S	S	.	.	H	α-helix	trans	-62.6	-32.8	178.8	-163.1	0	0	0	0	112.8	L148 V149 P156	L148-S152 WeakPolarHBondContact O-CB 3.47Å; L148-S152 PolarHBondContact O-N 2.97Å; V149-S152 WeakPolarHBondContact O-CB 3.45Å; V149-S152 PolarHBondContact O-N 3.24Å; V149-S152 VanDerWaalsContact O-N 3.14Å; S152-P156 WeakPolarHBondContact O-CD 3.19Å; S152-P156 WeakPolarHBondContact O-CG 3.5Å
153	I	88.4	Confident	90.7	Very high	77 Å²	77	85.3 Å²	85.3	40%	0.395	45%	0.448	S	S	.	.	H	α-helix	trans	-92.7	-45.6	-178.6	-61.5	171.8	0	0	0	111.7	V149 R151 K155 P156 I157 L184	V149-I153 HydrophobicContact CG1-CD1 3.79Å; V149-I153 WeakPolarHBondContact O-CG1 3.5Å; V149-I153 PolarHBondContact O-N 3.13Å; R151-I153 VanDerWaalsContact C-N 3.27Å; R151-I153 PolarHBondContact O-N 3.36Å; I153-K155 PolarHBondContact O-N 3.27Å; I153-P156 WeakPolarHBondContact O-CD 3.48Å; I153-I157 HydrophobicContact CG2-CD1 3.71Å; I153-I157 WeakPolarHBondContact O-CD1 3.35Å; I153-I157 VanDerWaalsContact O-CG1 3.3Å; I153-I157 WeakPolarHBondContact O-CG1 3.39Å; I153-L184 HydrophobicContact CB-CD1 4.49Å; I153-L184 HydrophobicContact CG1-CD1 4.39Å; I153-L184 HydrophobicContact CG2-CD1 4.48Å
154	T	90.8	Very high	90.4	Very high	91 Å²	91	82.4 Å²	82.4	56%	0.558	44%	0.439	S	S	*	.	H	α-helix	trans	-72.8	-31.8	-171.8	-59.6	0	0	0	0	112.9	A150 K158	A150-T154 WeakPolarHBondContact O-CB 3.24Å; A150-T154 PolarHBondContact O-N 2.97Å; A150-T154 PolarHBondContact O-OG1 2.63Å; T154-K158 WeakPolarHBondContact O-CB 3.39Å; T154-K158 PolarHBondContact O-N 2.7Å; T154-K158 VanDerWaalsContact O-N 3.16Å
155	K	87.3	Confident	90.1	Very high	126 Å²	126	82.1 Å²	82.1	55%	0.548	44%	0.438	S	S	.	.	H	α-helix	trans	-67.3	-52.7	-178.2	-174.3	-168.8	175.1	-152.9	0	112.2	R151 I153 I157 K158 E159	R151-K155 WeakPolarHBondContact O-CB 3.46Å; R151-K155 PolarHBondContact O-N 3.18Å; I153-K155 PolarHBondContact O-N 3.27Å; K155-I157 VanDerWaalsContact C-N 3.33Å; K155-I157 PolarHBondContact O-N 3.14Å; K155-K158 PolarHBondContact O-N 3.38Å; K155-E159 VanDerWaalsContact CE-OE1 3.22Å; K155-E159 WeakPolarHBondContact CE-OE1 3.49Å; K155-E159 IonicContact NZ-OE1 3.7Å; K155-E159 PolarHBondContact O-N 3.35Å; K155-E159 VanDerWaalsContact O-N 3.15Å
156	P	87.3	Confident	89.8	Confident	36 Å²	36	81.6 Å²	81.6	23%	0.234	43%	0.427	C	S	.	.	H	α-helix	trans	-61.3	-37.6	177.8	-24.6	35.5	0	0	0	113.4	S152 I153 K158 E159 M160	S152-P156 WeakPolarHBondContact O-CD 3.19Å; S152-P156 WeakPolarHBondContact O-CG 3.5Å; I153-P156 WeakPolarHBondContact O-CD 3.48Å; P156-K158 VanDerWaalsContact C-N 3.33Å; P156-K158 PolarHBondContact O-N 3.33Å; P156-E159 PolarHBondContact O-N 2.9Å; P156-M160 HydrophobicContact CB-CE 4.44Å; P156-M160 WeakPolarHBondContact O-CG 3.19Å; P156-M160 PolarHBondContact O-N 3.05Å
157	I	90	Very high	89.4	Confident	82 Å²	82	79.9 Å²	79.9	42%	0.421	41%	0.409	S	S	.	.	H	α-helix	trans	-62.2	-40.9	177.3	-66.5	173.5	0	0	0	111.5	I153 K155 E159 M160 Q161 L184	I153-I157 HydrophobicContact CG2-CD1 3.71Å; I153-I157 WeakPolarHBondContact O-CD1 3.35Å; I153-I157 VanDerWaalsContact O-CG1 3.3Å; I153-I157 WeakPolarHBondContact O-CG1 3.39Å; K155-I157 VanDerWaalsContact C-N 3.33Å; K155-I157 PolarHBondContact O-N 3.14Å; I157-E159 VanDerWaalsContact C-N 3.33Å; I157-M160 HydrophobicContact CG1-CE 4.19Å; I157-M160 PolarHBondContact O-N 2.91Å; I157-Q161 WeakPolarHBondContact O-CB 3.36Å; I157-Q161 PolarHBondContact O-N 3.34Å; I157-L184 HydrophobicContact CG1-CD2 4.26Å
158	K	89.5	Confident	89.1	Confident	124 Å²	124	79.5 Å²	79.5	54%	0.539	42%	0.42	S	S	.	.	H	α-helix	trans	-67.1	-34.6	176.9	-171.6	176.2	-176.1	176.2	0	112.2	T154 K155 P156 K162	T154-K158 WeakPolarHBondContact O-CB 3.39Å; T154-K158 PolarHBondContact O-N 2.7Å; T154-K158 VanDerWaalsContact O-N 3.16Å; K155-K158 PolarHBondContact O-N 3.38Å; P156-K158 VanDerWaalsContact C-N 3.33Å; P156-K158 PolarHBondContact O-N 3.33Å; K158-K162 WeakPolarHBondContact O-CG 3.22Å; K158-K162 PolarHBondContact O-N 2.99Å; K158-K162 VanDerWaalsContact O-N 3.1Å
159	E	88.1	Confident	89	Confident	71 Å²	71	81.7 Å²	81.7	33%	0.332	43%	0.427	S	S	.	.	H	α-helix	trans	-68.6	-46.4	175	-72.9	170.9	179.4	0	0	111.1	K155 P156 I157 Q161 K162 Q163	K155-E159 VanDerWaalsContact CE-OE1 3.22Å; K155-E159 WeakPolarHBondContact CE-OE1 3.49Å; K155-E159 IonicContact NZ-OE1 3.7Å; K155-E159 PolarHBondContact O-N 3.35Å; K155-E159 VanDerWaalsContact O-N 3.15Å; P156-E159 PolarHBondContact O-N 2.9Å; I157-E159 VanDerWaalsContact C-N 3.33Å; E159-Q161 VanDerWaalsContact C-N 3.34Å; E159-Q161 PolarHBondContact O-N 2.93Å; E159-K162 PolarHBondContact O-N 3.22Å; E159-Q163 PolarHBondContact O-N 3.41Å
160	M	88.8	Confident	88.8	Confident	17 Å²	17	80 Å²	80	8%	0.084	43%	0.425	C	S	.	.	H	α-helix	trans	-58.3	-42.8	172.6	-74	-173.5	-79.8	0	0	112.5	P156 I157 K162 Q163 A164 V176 L184 L187	P156-M160 HydrophobicContact CB-CE 4.44Å; P156-M160 WeakPolarHBondContact O-CG 3.19Å; P156-M160 PolarHBondContact O-N 3.05Å; I157-M160 HydrophobicContact CG1-CE 4.19Å; I157-M160 PolarHBondContact O-N 2.91Å; M160-K162 PolarHBondContact O-N 2.96Å; M160-Q163 PolarHBondContact O-N 3.45Å; M160-A164 WeakPolarHBondContact O-CB 3.47Å; M160-A164 PolarHBondContact O-N 3.31Å; M160-V176 HydrophobicContact CG-CB 4.36Å; M160-V176 HydrophobicContact CG-CG1 3.59Å; M160-V176 HydrophobicContact CG-CG2 3.96Å; M160-L184 HydrophobicContact CE-CD2 4.32Å; M160-L187 HydrophobicContact CE-CD2 3.98Å; M160-L187 HydrophobicContact CE-CG 4.46Å; M160-L187 HydrophobicContact SD-CD2 3.97Å; M160-L187 HydrophobicContact SD-CG 3.89Å
161	Q	90.4	Very high	88.7	Confident	125 Å²	125	80.6 Å²	80.6	58%	0.584	42%	0.421	S	S	*	.	H	α-helix	trans	-60	-46.4	176	-175.4	-159.4	-10.6	0	0	111.6	I157 E159 Q163 A164 V165	I157-Q161 WeakPolarHBondContact O-CB 3.36Å; I157-Q161 PolarHBondContact O-N 3.34Å; E159-Q161 VanDerWaalsContact C-N 3.34Å; E159-Q161 PolarHBondContact O-N 2.93Å; Q161-Q163 VanDerWaalsContact C-N 3.31Å; Q161-Q163 PolarHBondContact O-N 2.89Å; Q161-A164 PolarHBondContact O-N 3.18Å; Q161-V165 WeakPolarHBondContact O-CG2 3.43Å; Q161-V165 PolarHBondContact O-N 2.77Å; Q161-V165 VanDerWaalsContact O-N 3.15Å
162	K	89.7	Confident	88.6	Confident	126 Å²	126	73.3 Å²	73.3	55%	0.548	39%	0.394	S	S	.	.	H	α-helix	trans	-61.3	-41.9	177.4	-77.3	178.6	174.6	-171.1	0	111.3	K158 E159 M160 V165 R166	K158-K162 WeakPolarHBondContact O-CG 3.22Å; K158-K162 PolarHBondContact O-N 2.99Å; K158-K162 VanDerWaalsContact O-N 3.1Å; E159-K162 PolarHBondContact O-N 3.22Å; M160-K162 PolarHBondContact O-N 2.96Å; K162-V165 PolarHBondContact O-N 3.4Å; K162-R166 PolarHBondContact O-N 2.92Å
163	Q	87.8	Confident	88.5	Confident	3 Å²	3	74.2 Å²	74.2	1%	0.014	40%	0.4	C	S	.	.	H	α-helix	trans	-66.3	-40.3	177.8	-165.8	57.2	28.1	0	0	112	E159 M160 Q161 V165 R166 I167 E174 V176 F191	E159-Q163 PolarHBondContact O-N 3.41Å; M160-Q163 PolarHBondContact O-N 3.45Å; Q161-Q163 VanDerWaalsContact C-N 3.31Å; Q161-Q163 PolarHBondContact O-N 2.89Å; Q163-V165 VanDerWaalsContact C-N 3.27Å; Q163-V165 PolarHBondContact O-N 3.2Å; Q163-R166 WeakPolarHBondContact O-CB 3.3Å; Q163-R166 PolarHBondContact O-N 3.42Å; Q163-I167 HydrophobicContact CG-CD1 4.25Å; Q163-I167 HydrophobicContact CG-CG1 4.48Å; Q163-I167 WeakPolarHBondContact O-CG1 3.46Å; Q163-I167 PolarHBondContact O-N 3.38Å; Q163-E174 PolarHBondContact NE2-O 3.46Å; Q163-V176 HydrophobicContact CB-CG2 3.84Å; Q163-V176 HydrophobicContact CG-CG2 4.05Å; Q163-F191 HydrophobicContact CB-CE1 3.82Å; Q163-F191 HydrophobicContact CB-CZ 4.12Å; Q163-F191 HydrophobicContact CG-CE1 3.57Å; Q163-F191 HydrophobicContact CG-CZ 4.19Å
164	A	89.9	Confident	88.1	Confident	42 Å²	42	75 Å²	75	35%	0.347	40%	0.403	S	S	.	.	H	α-helix	trans	-60	-36.7	176.3	0	0	0	0	0	112.7	M160 Q161 A168 F191	M160-A164 WeakPolarHBondContact O-CB 3.47Å; M160-A164 PolarHBondContact O-N 3.31Å; Q161-A164 PolarHBondContact O-N 3.18Å; A164-A168 WeakPolarHBondContact O-CB 3.39Å; A164-A168 PolarHBondContact O-N 3.2Å; A164-F191 HydrophobicContact CB-CE2 3.98Å; A164-F191 HydrophobicContact CB-CZ 3.93Å
165	V	90.8	Very high	87.9	Confident	77 Å²	77	76.3 Å²	76.3	47%	0.467	40%	0.4	S	S	.	.	H	α-helix	trans	-67.9	-37.8	174.6	174.8	0	0	0	0	111.7	Q161 K162 Q163 A168 Q169	Q161-V165 WeakPolarHBondContact O-CG2 3.43Å; Q161-V165 PolarHBondContact O-N 2.77Å; Q161-V165 VanDerWaalsContact O-N 3.15Å; K162-V165 PolarHBondContact O-N 3.4Å; Q163-V165 VanDerWaalsContact C-N 3.27Å; Q163-V165 PolarHBondContact O-N 3.2Å; V165-A168 PolarHBondContact O-N 3.15Å; V165-Q169 WeakPolarHBondContact O-CG 3.24Å; V165-Q169 PolarHBondContact O-N 3.48Å
166	R	88.4	Confident	87.8	Confident	68 Å²	68	70.8 Å²	70.8	26%	0.257	38%	0.377	S	S	.	.	H	α-helix	trans	-66.2	-45.2	175.7	-75.7	-166.9	-78.9	-168.2	-3.5	112.5	K162 Q163 A168 Q169 G170 D171 E174	K162-R166 PolarHBondContact O-N 2.92Å; Q163-R166 WeakPolarHBondContact O-CB 3.3Å; Q163-R166 PolarHBondContact O-N 3.42Å; R166-A168 VanDerWaalsContact C-N 3.29Å; R166-A168 PolarHBondContact O-N 3.16Å; R166-Q169 CarbonylContact O-C 3.57Å; R166-Q169 WeakPolarHBondContact O-CA 3.11Å; R166-Q169 WeakPolarHBondContact O-CB 3.38Å; R166-Q169 PolarHBondContact O-N 2.96Å; R166-G170 PolarHBondContact O-N 3.4Å; R166-D171 CarbonylContact C-O 3.43Å; R166-D171 HydrophobicContact CB-CB 4.31Å; R166-D171 PolarHBondContact O-N 2.82Å; R166-E174 IonicContact CZ-OE1 2.67Å; R166-E174 IonicContact CZ-OE2 3.86Å; R166-E174 IonicContact NH1-OE1 3.87Å; R166-E174 PolarHBondContact NH1-OE1 2.96Å; R166-E174 IonicContact NH1-OE2 3.11Å; R166-E174 PolarHBondContact NH1-OE2 3.21Å; R166-E174 IonicContact NH2-OE2 2.69Å; R166-E174 PolarHBondContact NH2-OE2 3.41Å
167	I	88.3	Confident	87.7	Confident	24 Å²	24	73.6 Å²	73.6	12%	0.123	39%	0.39	C	S	.	.	H	α-helix	trans	-58.1	-42.2	174.2	-67.8	176.4	0	0	0	110.7	Q163 Q169 G170 D171 Y172 F191 S195 I198	Q163-I167 HydrophobicContact CG-CD1 4.25Å; Q163-I167 HydrophobicContact CG-CG1 4.48Å; Q163-I167 WeakPolarHBondContact O-CG1 3.46Å; Q163-I167 PolarHBondContact O-N 3.38Å; I167-Q169 PolarHBondContact O-N 3.36Å; I167-G170 PolarHBondContact O-N 2.9Å; I167-D171 PolarHBondContact N-O 3.29Å; I167-Y172 HydrophobicContact CB-CD1 4.4Å; I167-Y172 HydrophobicContact CB-CE1 4.44Å; I167-Y172 HydrophobicContact CG1-CD1 4.19Å; I167-Y172 HydrophobicContact CG2-CD1 4.01Å; I167-Y172 HydrophobicContact CG2-CE1 3.75Å; I167-F191 HydrophobicContact CD1-CE1 3.62Å; I167-F191 HydrophobicContact CD1-CZ 3.59Å; I167-S195 WeakPolarHBondContact CD1-OG 3.18Å; I167-I198 HydrophobicContact CG2-CD1 4.4Å
168	A	88.2	Confident	87.4	Confident	89 Å²	89	72.4 Å²	72.4	74%	0.736	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-17	176	0	0	0	0	0	114	A164 V165 R166	A164-A168 WeakPolarHBondContact O-CB 3.39Å; A164-A168 PolarHBondContact O-N 3.2Å; V165-A168 PolarHBondContact O-N 3.15Å; R166-A168 VanDerWaalsContact C-N 3.29Å; R166-A168 PolarHBondContact O-N 3.16Å
169	Q	89.6	Confident	86.7	Confident	157 Å²	157	72.7 Å²	72.7	73%	0.734	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	1.4	174.5	-67.8	174.7	-9.4	0	0	112.9	V165 R166 I167	V165-Q169 WeakPolarHBondContact O-CG 3.24Å; V165-Q169 PolarHBondContact O-N 3.48Å; R166-Q169 CarbonylContact O-C 3.57Å; R166-Q169 WeakPolarHBondContact O-CA 3.11Å; R166-Q169 WeakPolarHBondContact O-CB 3.38Å; R166-Q169 PolarHBondContact O-N 2.96Å; I167-Q169 PolarHBondContact O-N 3.36Å
170	G	86.7	Confident	86.1	Confident	39 Å²	39	71.6 Å²	71.6	40%	0.402	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	12.9	-180	0	0	0	0	0	115.1	R166 I167	R166-G170 PolarHBondContact O-N 3.4Å; I167-G170 PolarHBondContact O-N 2.9Å
171	D	88.3	Confident	85.7	Confident	61 Å²	61	80 Å²	80	33%	0.326	44%	0.436	S	S	.	.			trans	-101.3	104.7	175.2	179.1	11.2	0	0	0	111	R166 I167 S173	R166-D171 CarbonylContact C-O 3.43Å; R166-D171 HydrophobicContact CB-CB 4.31Å; R166-D171 PolarHBondContact O-N 2.82Å; I167-D171 PolarHBondContact N-O 3.29Å; D171-S173 WeakPolarHBondContact OD1-CB 3.42Å; D171-S173 PolarHBondContact OD1-N 2.69Å; D171-S173 VanDerWaalsContact OD1-N 3.12Å; D171-S173 PolarHBondContact OD1-OG 2.86Å
172	Y	87.2	Confident	85.5	Confident	33 Å²	33	76.9 Å²	76.9	13%	0.129	42%	0.423	C	S	.	.			trans	-100.3	2.1	-179.4	-47.2	-71.4	0	0	0	113.5	I167 E174 I198 E199 Q202	I167-Y172 HydrophobicContact CB-CD1 4.4Å; I167-Y172 HydrophobicContact CB-CE1 4.44Å; I167-Y172 HydrophobicContact CG1-CD1 4.19Å; I167-Y172 HydrophobicContact CG2-CD1 4.01Å; I167-Y172 HydrophobicContact CG2-CE1 3.75Å; Y172-E174 VanDerWaalsContact C-N 3.31Å; Y172-E174 PolarHBondContact O-N 2.84Å; Y172-I198 HydrophobicContact CD1-CG2 4.42Å; Y172-I198 HydrophobicContact CE1-CB 4.24Å; Y172-I198 HydrophobicContact CE1-CG2 3.51Å; Y172-E199 HydrophobicContact CD2-CB 4.01Å; Y172-E199 HydrophobicContact CD2-CG 4.08Å; Y172-E199 HydrophobicContact CG-CB 3.95Å; Y172-E199 HydrophobicContact CG-CG 4.32Å; Y172-Q202 PolarHBondContact OH-OE1 2.8Å
173	S	82.6	Confident	85.4	Confident	90 Å²	90	78.3 Å²	78.3	63%	0.629	43%	0.432	S	S	*	.			trans	-68.6	-22.9	-166	63.1	0	0	0	0	115.4	D171	D171-S173 WeakPolarHBondContact OD1-CB 3.42Å; D171-S173 PolarHBondContact OD1-N 2.69Å; D171-S173 VanDerWaalsContact OD1-N 3.12Å; D171-S173 PolarHBondContact OD1-OG 2.86Å
174	E	80.9	Confident	85.5	Confident	95 Å²	95	79.8 Å²	79.8	44%	0.444	44%	0.44	S	S	.	.			trans	-108.7	141	-177.5	-82.5	-168.3	-142.6	0	0	112.9	Q163 R166 Y172	Q163-E174 PolarHBondContact NE2-O 3.46Å; R166-E174 IonicContact CZ-OE1 2.67Å; R166-E174 IonicContact CZ-OE2 3.86Å; R166-E174 IonicContact NH1-OE1 3.87Å; R166-E174 PolarHBondContact NH1-OE1 2.96Å; R166-E174 IonicContact NH1-OE2 3.11Å; R166-E174 PolarHBondContact NH1-OE2 3.21Å; R166-E174 IonicContact NH2-OE2 2.69Å; R166-E174 PolarHBondContact NH2-OE2 3.41Å; Y172-E174 VanDerWaalsContact C-N 3.31Å; Y172-E174 PolarHBondContact O-N 2.84Å
175	K	85.8	Confident	85.3	Confident	118 Å²	118	78.2 Å²	78.2	51%	0.513	43%	0.426	S	S	.	.			trans	-105.1	147.4	175.4	-63	-166.4	-179.7	-161.6	0	110.3	D177 N192 D196	K175-D177 PolarHBondContact O-N 2.96Å; K175-N192 HydrophobicContact CD-CB 4.46Å; K175-D196 WeakPolarHBondContact CE-OD1 3.42Å; K175-D196 IonicContact NZ-OD1 2.71Å; K175-D196 PolarHBondContact NZ-OD1 3.1Å; K175-D196 IonicContact NZ-OD2 2.67Å; K175-D196 PolarHBondContact NZ-OD2 2.91Å
176	V	86.5	Confident	85.3	Confident	10 Å²	10	80.4 Å²	80.4	6%	0.061	43%	0.431	C	S	.	.			trans	-68.4	128.8	171.3	-180	0	0	0	0	107.9	M160 Q163 V178 A188 F191 N192	M160-V176 HydrophobicContact CG-CB 4.36Å; M160-V176 HydrophobicContact CG-CG1 3.59Å; M160-V176 HydrophobicContact CG-CG2 3.96Å; Q163-V176 HydrophobicContact CB-CG2 3.84Å; Q163-V176 HydrophobicContact CG-CG2 4.05Å; V176-V178 PolarHBondContact O-N 3.2Å; V176-A188 HydrophobicContact CB-CB 4.39Å; V176-A188 HydrophobicContact CG1-CB 3.88Å; V176-F191 HydrophobicContact CG2-CD1 3.56Å; V176-F191 HydrophobicContact CG2-CE1 3.77Å; V176-F191 HydrophobicContact CG2-CG 4.48Å; V176-N192 PolarHBondContact N-OD1 3.44Å; V176-N192 PolarHBondContact O-ND2 3.43Å
177	D	84.9	Confident	85.4	Confident	95 Å²	95	81.5 Å²	81.5	51%	0.508	44%	0.442	S	S	.	.			trans	-63.9	123.8	177.7	-171.4	20.9	0	0	0	110.4	K175 Q179	K175-D177 PolarHBondContact O-N 2.96Å; D177-Q179 PolarHBondContact O-N 2.94Å; D177-Q179 WeakPolarHBondContact OD2-CG 3.43Å; D177-Q179 PolarHBondContact OD2-NE2 3.47Å
178	V	83.6	Confident	85.5	Confident	56 Å²	56	80.5 Å²	80.5	34%	0.339	44%	0.438	S	S	.	.			trans	-92.7	93.6	-177.4	-175.9	0	0	0	0	107.9	V176 A188 E189	V176-V178 PolarHBondContact O-N 3.2Å; V178-A188 HydrophobicContact CG2-CB 4.01Å; V178-E189 HydrophobicContact CG1-CG 3.9Å; V178-E189 HydrophobicContact CG2-CG 4.09Å
179	Q	74.1	Confident	85.7	Confident	130 Å²	130	80.8 Å²	80.8	61%	0.607	42%	0.423	S	S	*	.			trans	-106.9	134	175.4	-61.1	-168.4	-6	0	0	111	D177	D177-Q179 PolarHBondContact O-N 2.94Å; D177-Q179 WeakPolarHBondContact OD2-CG 3.43Å; D177-Q179 PolarHBondContact OD2-NE2 3.47Å
180	G	75.2	Confident	85.7	Confident	48 Å²	48	77.4 Å²	77.4	50%	0.495	41%	0.414	S	S	.	.	S	Bend	trans	94.3	-174.4	176.5	0	0	0	0	0	114	S185	G180-S185 WeakPolarHBondContact O-CB 3.44Å
181	H	81.2	Confident	85.9	Confident	195 Å²	195	77.3 Å²	77.3	90%	0.903	40%	0.402	S	S	*	.	S	Bend	trans	-132.5	26.1	177.5	-61.2	81.1	0	0	0	110.6	S185	H181-S185 WeakPolarHBondContact CA-OG 3.34Å
182	D	85.1	Confident	86	Confident	58 Å²	58	75.2 Å²	75.2	31%	0.31	39%	0.391	S	S	.	.	S	Bend	trans	-97.4	-175.7	-177.7	64.2	4.7	0	0	0	111.4	L184 S185 Q186	D182-L184 PolarHBondContact O-N 3.42Å; D182-L184 WeakPolarHBondContact OD1-CB 3.37Å; D182-L184 PolarHBondContact OD1-N 2.87Å; D182-L184 VanDerWaalsContact OD1-N 3.13Å; D182-S185 PolarHBondContact N-OG 2.86Å; D182-S185 PolarHBondContact O-N 3.36Å; D182-S185 PolarHBondContact O-OG 3.12Å; D182-S185 PolarHBondContact OD1-N 3.15Å; D182-Q186 PolarHBondContact O-N 3.13Å
183	E	89.1	Confident	86.3	Confident	157 Å²	157	79.8 Å²	79.8	73%	0.734	41%	0.412	S	S	*	.	H	α-helix	trans	-61.8	-25.4	178.2	-63.1	83.5	173.4	0	0	112.8	L187	E183-L187 PolarHBondContact O-N 3.31Å
184	L	88.3	Confident	86.7	Confident	34 Å²	34	80.1 Å²	80.1	18%	0.178	41%	0.406	C	S	.	.	H	α-helix	trans	-73.8	-37.2	176.3	-67.1	173.6	0	0	0	111.5	I153 I157 M160 D182 L187 A188	I153-L184 HydrophobicContact CB-CD1 4.49Å; I153-L184 HydrophobicContact CG1-CD1 4.39Å; I153-L184 HydrophobicContact CG2-CD1 4.48Å; I157-L184 HydrophobicContact CG1-CD2 4.26Å; M160-L184 HydrophobicContact CE-CD2 4.32Å; D182-L184 PolarHBondContact O-N 3.42Å; D182-L184 WeakPolarHBondContact OD1-CB 3.37Å; D182-L184 PolarHBondContact OD1-N 2.87Å; D182-L184 VanDerWaalsContact OD1-N 3.13Å; L184-L187 PolarHBondContact O-N 2.99Å; L184-A188 PolarHBondContact O-N 3.23Å
185	S	87	Confident	87.1	Confident	8 Å²	8	75.6 Å²	75.6	6%	0.056	39%	0.385	C	S	.	.	H	α-helix	trans	-62	-44.4	174.7	71	0	0	0	0	112.2	G180 H181 D182 L187 A188 E189	G180-S185 WeakPolarHBondContact O-CB 3.44Å; H181-S185 WeakPolarHBondContact CA-OG 3.34Å; D182-S185 PolarHBondContact N-OG 2.86Å; D182-S185 PolarHBondContact O-N 3.36Å; D182-S185 PolarHBondContact O-OG 3.12Å; D182-S185 PolarHBondContact OD1-N 3.15Å; S185-L187 VanDerWaalsContact C-N 3.31Å; S185-L187 PolarHBondContact O-N 2.62Å; S185-A188 PolarHBondContact O-N 2.66Å; S185-E189 PolarHBondContact O-N 2.93Å
186	Q	90.6	Very high	87.4	Confident	123 Å²	123	72.1 Å²	72.1	58%	0.575	37%	0.372	S	S	*	.	H	α-helix	trans	-64.4	-36.5	176.3	-66	-179.2	9.8	0	0	112.2	D182 T190	D182-Q186 PolarHBondContact O-N 3.13Å; Q186-T190 WeakPolarHBondContact O-CB 3.49Å; Q186-T190 PolarHBondContact O-N 3.06Å; Q186-T190 PolarHBondContact O-OG1 2.93Å
187	L	90.4	Very high	87.7	Confident	91 Å²	91	80.8 Å²	80.8	48%	0.476	40%	0.403	S	S	.	.	H	α-helix	trans	-66.3	-43.2	174.3	-177.6	60.7	0	0	0	111.3	M160 E183 L184 S185 T190 F191	M160-L187 HydrophobicContact CE-CD2 3.98Å; M160-L187 HydrophobicContact CE-CG 4.46Å; M160-L187 HydrophobicContact SD-CD2 3.97Å; M160-L187 HydrophobicContact SD-CG 3.89Å; E183-L187 PolarHBondContact O-N 3.31Å; L184-L187 PolarHBondContact O-N 2.99Å; S185-L187 VanDerWaalsContact C-N 3.31Å; S185-L187 PolarHBondContact O-N 2.62Å; L187-T190 PolarHBondContact O-N 3.47Å; L187-F191 VanDerWaalsContact O-CB 3.24Å; L187-F191 WeakPolarHBondContact O-CB 3.4Å; L187-F191 PolarHBondContact O-N 3.27Å
188	A	90.8	Very high	88	Confident	4 Å²	4	79.3 Å²	79.3	3%	0.033	40%	0.395	C	S	.	.	H	α-helix	trans	-62.4	-43.1	175.9	0	0	0	0	0	111.9	V176 V178 L184 S185 F191 N192	V176-A188 HydrophobicContact CB-CB 4.39Å; V176-A188 HydrophobicContact CG1-CB 3.88Å; V178-A188 HydrophobicContact CG2-CB 4.01Å; L184-A188 PolarHBondContact O-N 3.23Å; S185-A188 PolarHBondContact O-N 2.66Å; A188-F191 PolarHBondContact O-N 3.36Å; A188-N192 WeakPolarHBondContact O-CB 3.33Å; A188-N192 VanDerWaalsContact O-CG 3.26Å; A188-N192 PolarHBondContact O-N 3.2Å; A188-N192 PolarHBondContact O-ND2 3.01Å
189	E	91.6	Very high	88.3	Confident	94 Å²	94	79.8 Å²	79.8	44%	0.439	39%	0.393	S	S	.	.	H	α-helix	trans	-61.3	-43.9	173.2	-73.9	-174.3	-174.4	0	0	112.5	V178 S185 F191 N192 K193	V178-E189 HydrophobicContact CG1-CG 3.9Å; V178-E189 HydrophobicContact CG2-CG 4.09Å; S185-E189 PolarHBondContact O-N 2.93Å; E189-F191 VanDerWaalsContact C-N 3.32Å; E189-N192 PolarHBondContact O-N 3.48Å; E189-K193 WeakPolarHBondContact O-CG 3.46Å; E189-K193 PolarHBondContact O-N 3.15Å
190	T	90.9	Very high	89.2	Confident	86 Å²	86	78.4 Å²	78.4	53%	0.528	39%	0.39	S	S	.	.	H	α-helix	trans	-65.2	-39.6	178.7	-58.8	0	0	0	0	111.1	Q186 L187 K193 L194	Q186-T190 WeakPolarHBondContact O-CB 3.49Å; Q186-T190 PolarHBondContact O-N 3.06Å; Q186-T190 PolarHBondContact O-OG1 2.93Å; L187-T190 PolarHBondContact O-N 3.47Å; T190-K193 PolarHBondContact O-N 3.14Å; T190-L194 PolarHBondContact O-N 3.06Å
191	F	89.7	Confident	90	Very high	37 Å²	37	79 Å²	79	16%	0.162	39%	0.391	C	S	.	.	H	α-helix	trans	-64.5	-45.6	176	-174.9	-85.5	0	0	0	111.5	Q163 A164 I167 V176 L187 A188 E189 K193 L194 S195	Q163-F191 HydrophobicContact CB-CE1 3.82Å; Q163-F191 HydrophobicContact CB-CZ 4.12Å; Q163-F191 HydrophobicContact CG-CE1 3.57Å; Q163-F191 HydrophobicContact CG-CZ 4.19Å; A164-F191 HydrophobicContact CB-CE2 3.98Å; A164-F191 HydrophobicContact CB-CZ 3.93Å; I167-F191 HydrophobicContact CD1-CE1 3.62Å; I167-F191 HydrophobicContact CD1-CZ 3.59Å; V176-F191 HydrophobicContact CG2-CD1 3.56Å; V176-F191 HydrophobicContact CG2-CE1 3.77Å; V176-F191 HydrophobicContact CG2-CG 4.48Å; L187-F191 VanDerWaalsContact O-CB 3.24Å; L187-F191 WeakPolarHBondContact O-CB 3.4Å; L187-F191 PolarHBondContact O-N 3.27Å; A188-F191 PolarHBondContact O-N 3.36Å; E189-F191 VanDerWaalsContact C-N 3.32Å; F191-K193 PolarHBondContact O-N 3.34Å; F191-L194 WeakPolarHBondContact O-CB 3.41Å; F191-L194 PolarHBondContact O-N 3.33Å; F191-L194 VanDerWaalsContact O-N 3.13Å; F191-S195 PolarHBondContact O-N 3.12Å
192	N	91.3	Very high	90.4	Very high	18 Å²	18	72.5 Å²	72.5	10%	0.096	36%	0.361	C	S	.	.	H	α-helix	trans	-61.3	-42.9	175.4	-71.3	-20	0	0	0	111.5	K175 V176 A188 E189 L194 S195 D196	K175-N192 HydrophobicContact CD-CB 4.46Å; V176-N192 PolarHBondContact N-OD1 3.44Å; V176-N192 PolarHBondContact O-ND2 3.43Å; A188-N192 WeakPolarHBondContact O-CB 3.33Å; A188-N192 VanDerWaalsContact O-CG 3.26Å; A188-N192 PolarHBondContact O-N 3.2Å; A188-N192 PolarHBondContact O-ND2 3.01Å; E189-N192 PolarHBondContact O-N 3.48Å; N192-L194 VanDerWaalsContact C-N 3.28Å; N192-L194 PolarHBondContact O-N 2.91Å; N192-S195 WeakPolarHBondContact O-CB 3.46Å; N192-S195 PolarHBondContact O-N 3.33Å; N192-D196 VanDerWaalsContact O-CG 3.29Å; N192-D196 PolarHBondContact O-N 3.23Å
193	K	92.1	Very high	90.7	Very high	128 Å²	128	73.9 Å²	73.9	56%	0.557	37%	0.368	S	S	*	.	H	α-helix	trans	-61	-34.9	173.7	-75.3	173.1	-176.5	165.6	0	113	E189 T190 F191 R197	E189-K193 WeakPolarHBondContact O-CG 3.46Å; E189-K193 PolarHBondContact O-N 3.15Å; T190-K193 PolarHBondContact O-N 3.14Å; F191-K193 PolarHBondContact O-N 3.34Å; K193-R197 WeakPolarHBondContact O-CG 3.39Å; K193-R197 PolarHBondContact O-N 3.07Å; K193-R197 VanDerWaalsContact O-N 3.15Å
194	L	91	Very high	90.9	Very high	97 Å²	97	71 Å²	71	51%	0.508	36%	0.362	S	S	.	.	H	α-helix	trans	-69.2	-43.2	175.4	-178.6	66.3	0	0	0	111	T190 F191 N192 R197 I198	T190-L194 PolarHBondContact O-N 3.06Å; F191-L194 WeakPolarHBondContact O-CB 3.41Å; F191-L194 PolarHBondContact O-N 3.33Å; F191-L194 VanDerWaalsContact O-N 3.13Å; N192-L194 VanDerWaalsContact C-N 3.28Å; N192-L194 PolarHBondContact O-N 2.91Å; L194-R197 PolarHBondContact O-N 3.35Å; L194-I198 HydrophobicContact CD1-CD1 4.24Å; L194-I198 HydrophobicContact CD1-CG1 4.5Å; L194-I198 HydrophobicContact CG-CD1 4.02Å; L194-I198 WeakPolarHBondContact O-CG1 3.4Å; L194-I198 PolarHBondContact O-N 3.43Å
195	S	90.6	Very high	91.1	Very high	1 Å²	1	75.6 Å²	75.6	1%	0.007	38%	0.383	C	S	.	.	H	α-helix	trans	-56.5	-51.5	174.7	-164.4	0	0	0	0	110.9	I167 F191 N192 R197 I198 E199	I167-S195 WeakPolarHBondContact CD1-OG 3.18Å; F191-S195 PolarHBondContact O-N 3.12Å; N192-S195 WeakPolarHBondContact O-CB 3.46Å; N192-S195 PolarHBondContact O-N 3.33Å; S195-R197 VanDerWaalsContact C-N 3.32Å; S195-R197 PolarHBondContact O-N 3.46Å; S195-I198 PolarHBondContact O-N 3.04Å; S195-I198 VanDerWaalsContact O-N 3.14Å; S195-E199 PolarHBondContact O-N 2.87Å
196	D	91.5	Very high	91.2	Very high	45 Å²	45	79.3 Å²	79.3	24%	0.241	40%	0.4	C	S	.	.	H	α-helix	trans	-57.8	-43	179.3	-66.2	-16.6	0	0	0	111.4	K175 N192 I198 E199 D200	K175-D196 WeakPolarHBondContact CE-OD1 3.42Å; K175-D196 IonicContact NZ-OD1 2.71Å; K175-D196 PolarHBondContact NZ-OD1 3.1Å; K175-D196 IonicContact NZ-OD2 2.67Å; K175-D196 PolarHBondContact NZ-OD2 2.91Å; N192-D196 VanDerWaalsContact O-CG 3.29Å; N192-D196 PolarHBondContact O-N 3.23Å; D196-I198 PolarHBondContact O-N 2.92Å; D196-E199 PolarHBondContact O-N 3.12Å; D196-D200 WeakPolarHBondContact O-CB 3.33Å; D196-D200 VanDerWaalsContact O-CG 3.3Å; D196-D200 PolarHBondContact O-N 3Å
197	R	92	Very high	91.3	Very high	191 Å²	191	76.3 Å²	76.3	72%	0.721	40%	0.396	S	S	*	.	H	α-helix	trans	-68.1	-31.5	178.6	-77.7	-174	-178.5	-163.4	0.8	114.2	K193 L194 S195 A201	K193-R197 WeakPolarHBondContact O-CG 3.39Å; K193-R197 PolarHBondContact O-N 3.07Å; K193-R197 VanDerWaalsContact O-N 3.15Å; L194-R197 PolarHBondContact O-N 3.35Å; S195-R197 VanDerWaalsContact C-N 3.32Å; S195-R197 PolarHBondContact O-N 3.46Å; R197-A201 WeakPolarHBondContact O-CB 3.42Å; R197-A201 PolarHBondContact O-N 3.3Å; R197-A201 VanDerWaalsContact O-N 3.12Å
198	I	91.1	Very high	91.2	Very high	64 Å²	64	76.8 Å²	76.8	33%	0.328	40%	0.396	S	S	.	.	H	α-helix	trans	-73.5	-43.9	177.4	-68.6	169.3	0	0	0	109.4	I167 Y172 L194 S195 D196 A201 Q202	I167-I198 HydrophobicContact CG2-CD1 4.4Å; Y172-I198 HydrophobicContact CD1-CG2 4.42Å; Y172-I198 HydrophobicContact CE1-CB 4.24Å; Y172-I198 HydrophobicContact CE1-CG2 3.51Å; L194-I198 HydrophobicContact CD1-CD1 4.24Å; L194-I198 HydrophobicContact CD1-CG1 4.5Å; L194-I198 HydrophobicContact CG-CD1 4.02Å; L194-I198 WeakPolarHBondContact O-CG1 3.4Å; L194-I198 PolarHBondContact O-N 3.43Å; S195-I198 PolarHBondContact O-N 3.04Å; S195-I198 VanDerWaalsContact O-N 3.14Å; D196-I198 PolarHBondContact O-N 2.92Å; I198-A201 PolarHBondContact O-N 3.17Å; I198-Q202 WeakPolarHBondContact O-CB 3.42Å; I198-Q202 PolarHBondContact O-N 2.97Å
199	E	91	Very high	91.2	Very high	66 Å²	66	84.6 Å²	84.6	31%	0.308	43%	0.425	S	S	.	.	H	α-helix	trans	-57.3	-55.1	173.9	-174	174.9	-153.2	0	0	110.6	Y172 S195 D196 A201 Q202 D203	Y172-E199 HydrophobicContact CD2-CB 4.01Å; Y172-E199 HydrophobicContact CD2-CG 4.08Å; Y172-E199 HydrophobicContact CG-CB 3.95Å; Y172-E199 HydrophobicContact CG-CG 4.32Å; S195-E199 PolarHBondContact O-N 2.87Å; D196-E199 PolarHBondContact O-N 3.12Å; E199-A201 VanDerWaalsContact C-N 3.28Å; E199-A201 PolarHBondContact O-N 3.23Å; E199-Q202 PolarHBondContact O-N 2.71Å; E199-Q202 VanDerWaalsContact O-N 3.12Å; E199-D203 WeakPolarHBondContact O-CB 3.3Å; E199-D203 PolarHBondContact O-N 3.41Å
200	D	92.4	Very high	91	Very high	101 Å²	101	84.9 Å²	84.9	54%	0.54	43%	0.429	S	S	.	.	H	α-helix	trans	-55.2	-42	177.5	-75.5	-20.8	0	0	0	112.4	D196 T204	D196-D200 WeakPolarHBondContact O-CB 3.33Å; D196-D200 VanDerWaalsContact O-CG 3.3Å; D196-D200 PolarHBondContact O-N 3Å; D200-T204 VanDerWaalsContact O-CB 3.3Å; D200-T204 WeakPolarHBondContact O-CB 3.31Å; D200-T204 PolarHBondContact O-N 3.35Å; D200-T204 PolarHBondContact O-OG1 3.42Å
201	A	91.9	Very high	90.9	Very high	61 Å²	61	89.1 Å²	89.1	50%	0.504	44%	0.435	S	S	.	.	H	α-helix	trans	-70.4	-38.1	-179.9	0	0	0	0	0	112.5	R197 I198 E199 M205	R197-A201 WeakPolarHBondContact O-CB 3.42Å; R197-A201 PolarHBondContact O-N 3.3Å; R197-A201 VanDerWaalsContact O-N 3.12Å; I198-A201 PolarHBondContact O-N 3.17Å; E199-A201 VanDerWaalsContact C-N 3.28Å; E199-A201 PolarHBondContact O-N 3.23Å; A201-M205 VanDerWaalsContact O-CB 3.31Å; A201-M205 WeakPolarHBondContact O-CB 3.48Å; A201-M205 PolarHBondContact O-N 2.7Å
202	Q	90.2	Very high	90.9	Very high	59 Å²	59	92 Å²	92	28%	0.276	45%	0.452	S	S	.	.	H	α-helix	trans	-67.3	-47.9	175.4	-174.4	-177.2	-37	0	0	110.5	Y172 I198 E199 T204 M205 E206	Y172-Q202 PolarHBondContact OH-OE1 2.8Å; I198-Q202 WeakPolarHBondContact O-CB 3.42Å; I198-Q202 PolarHBondContact O-N 2.97Å; E199-Q202 PolarHBondContact O-N 2.71Å; E199-Q202 VanDerWaalsContact O-N 3.12Å; Q202-T204 VanDerWaalsContact C-N 3.33Å; Q202-T204 PolarHBondContact O-N 2.84Å; Q202-M205 PolarHBondContact O-N 3.45Å; Q202-M205 VanDerWaalsContact O-N 3.11Å; Q202-E206 HydrophobicContact CG-CG 4.44Å; Q202-E206 PolarHBondContact NE2-OE1 2.94Å; Q202-E206 PolarHBondContact O-N 2.96Å
203	D	90.9	Very high	90.6	Very high	86 Å²	86	94.6 Å²	94.6	46%	0.46	47%	0.466	S	S	.	.	H	α-helix	trans	-59.5	-44	178.2	-78	0.3	0	0	0	111.4	E199 M205 E206 A207	E199-D203 WeakPolarHBondContact O-CB 3.3Å; E199-D203 PolarHBondContact O-N 3.41Å; D203-M205 VanDerWaalsContact C-N 3.33Å; D203-M205 PolarHBondContact O-N 3.06Å; D203-E206 PolarHBondContact O-N 2.89Å; D203-A207 VanDerWaalsContact O-CB 3.24Å; D203-A207 WeakPolarHBondContact O-CB 3.41Å; D203-A207 PolarHBondContact O-N 3.11Å
204	T	93.3	Very high	90.3	Very high	98 Å²	98	91.5 Å²	91.5	60%	0.601	46%	0.46	S	S	*	.	H	α-helix	trans	-62.7	-40.6	176.1	-56.5	0	0	0	0	111.5	D200 Q202 E208	D200-T204 VanDerWaalsContact O-CB 3.3Å; D200-T204 WeakPolarHBondContact O-CB 3.31Å; D200-T204 PolarHBondContact O-N 3.35Å; D200-T204 PolarHBondContact O-OG1 3.42Å; Q202-T204 VanDerWaalsContact C-N 3.33Å; Q202-T204 PolarHBondContact O-N 2.84Å; T204-E208 WeakPolarHBondContact O-CB 3.33Å; T204-E208 PolarHBondContact O-N 2.84Å
205	M	92.4	Very high	90.2	Very high	129 Å²	129	90.7 Å²	90.7	64%	0.635	46%	0.459	S	S	*	.	H	α-helix	trans	-69.7	-40.2	178.9	-177.6	175.8	60.3	0	0	112.2	A201 Q202 D203 R209	A201-M205 VanDerWaalsContact O-CB 3.31Å; A201-M205 WeakPolarHBondContact O-CB 3.48Å; A201-M205 PolarHBondContact O-N 2.7Å; Q202-M205 PolarHBondContact O-N 3.45Å; Q202-M205 VanDerWaalsContact O-N 3.11Å; D203-M205 VanDerWaalsContact C-N 3.33Å; D203-M205 PolarHBondContact O-N 3.06Å; M205-R209 WeakPolarHBondContact O-CB 3.24Å; M205-R209 PolarHBondContact O-N 2.86Å
206	E	89.7	Confident	90	Very high	87 Å²	87	93.5 Å²	93.5	41%	0.407	47%	0.474	S	S	.	.	H	α-helix	trans	-66	-42.7	174	-74.7	-175.1	-165.4	0	0	111.3	Q202 D203 E208 R209 N210	Q202-E206 HydrophobicContact CG-CG 4.44Å; Q202-E206 PolarHBondContact NE2-OE1 2.94Å; Q202-E206 PolarHBondContact O-N 2.96Å; D203-E206 PolarHBondContact O-N 2.89Å; E206-E208 PolarHBondContact O-N 2.92Å; E206-R209 PolarHBondContact O-N 3.48Å; E206-N210 VanDerWaalsContact O-CB 3.3Å; E206-N210 WeakPolarHBondContact O-CB 3.3Å; E206-N210 PolarHBondContact O-N 2.82Å; E206-N210 PolarHBondContact O-ND2 2.99Å
207	A	91.8	Very high	89.5	Confident	60 Å²	60	94.6 Å²	94.6	50%	0.496	48%	0.483	S	S	.	.	H	α-helix	trans	-60.9	-44.4	175	0	0	0	0	0	112	D203 N210 R211	D203-A207 VanDerWaalsContact O-CB 3.24Å; D203-A207 WeakPolarHBondContact O-CB 3.41Å; D203-A207 PolarHBondContact O-N 3.11Å; A207-N210 PolarHBondContact O-N 3.24Å; A207-R211 VanDerWaalsContact O-CB 3.32Å; A207-R211 WeakPolarHBondContact O-CB 3.32Å; A207-R211 PolarHBondContact O-N 2.89Å
208	E	90	Very high	88.9	Confident	100 Å²	100	92.6 Å²	92.6	47%	0.467	48%	0.481	S	S	.	.	H	α-helix	trans	-66.6	-41.3	177.6	-171.5	63.5	-172.7	0	0	111.7	T204 E206 R211 L212	T204-E208 WeakPolarHBondContact O-CB 3.33Å; T204-E208 PolarHBondContact O-N 2.84Å; E206-E208 PolarHBondContact O-N 2.92Å; E208-R211 WeakPolarHBondContact O-CB 3.46Å; E208-R211 PolarHBondContact O-N 3.4Å; E208-L212 WeakPolarHBondContact O-CG 3.19Å; E208-L212 PolarHBondContact O-N 3.29Å
209	R	89.8	Confident	88.8	Confident	169 Å²	169	92.5 Å²	92.5	64%	0.638	48%	0.48	S	S	*	.	H	α-helix	trans	-61.6	-49	174.7	-176.4	-177.1	175	173.6	0.4	111.6	M205 E206 R211 L212 D213	M205-R209 WeakPolarHBondContact O-CB 3.24Å; M205-R209 PolarHBondContact O-N 2.86Å; E206-R209 PolarHBondContact O-N 3.48Å; R209-R211 PolarHBondContact O-N 3.17Å; R209-L212 PolarHBondContact O-N 2.87Å; R209-L212 VanDerWaalsContact O-N 3.17Å; R209-D213 IonicContact NE-OD2 3.98Å; R209-D213 PolarHBondContact O-N 3.36Å
210	N	88	Confident	88.6	Confident	100 Å²	100	94.6 Å²	94.6	54%	0.535	50%	0.497	S	S	.	.	H	α-helix	trans	-61.6	-34.5	178	-71.7	-23.4	0	0	0	111.6	E206 A207 S214	E206-N210 VanDerWaalsContact O-CB 3.3Å; E206-N210 WeakPolarHBondContact O-CB 3.3Å; E206-N210 PolarHBondContact O-N 2.82Å; E206-N210 PolarHBondContact O-ND2 2.99Å; A207-N210 PolarHBondContact O-N 3.24Å; N210-S214 WeakPolarHBondContact O-CB 3.35Å; N210-S214 PolarHBondContact O-N 3.5Å
211	R	89	Confident	88.6	Confident	174 Å²	174	92 Å²	92	66%	0.657	48%	0.483	S	S	*	.	H	α-helix	trans	-65.8	-45.7	174.2	-172.8	178.2	-174.4	161.8	2.3	111.8	A207 E208 R209 S214 V215	A207-R211 VanDerWaalsContact O-CB 3.32Å; A207-R211 WeakPolarHBondContact O-CB 3.32Å; A207-R211 PolarHBondContact O-N 2.89Å; E208-R211 WeakPolarHBondContact O-CB 3.46Å; E208-R211 PolarHBondContact O-N 3.4Å; R209-R211 PolarHBondContact O-N 3.17Å; R211-S214 PolarHBondContact O-N 2.96Å; R211-V215 WeakPolarHBondContact O-CG2 3.39Å; R211-V215 PolarHBondContact O-N 3.33Å
212	L	89	Confident	88.7	Confident	99 Å²	99	89.1 Å²	89.1	52%	0.518	46%	0.459	S	S	.	.	H	α-helix	trans	-64	-44.4	176.6	-69.8	172.6	0	0	0	111.7	E208 R209 S214 V215 L216	E208-L212 WeakPolarHBondContact O-CG 3.19Å; E208-L212 PolarHBondContact O-N 3.29Å; R209-L212 PolarHBondContact O-N 2.87Å; R209-L212 VanDerWaalsContact O-N 3.17Å; L212-S214 VanDerWaalsContact C-N 3.34Å; L212-S214 PolarHBondContact O-N 3.08Å; L212-V215 PolarHBondContact O-N 2.98Å; L212-L216 WeakPolarHBondContact O-CG 3.38Å; L212-L216 PolarHBondContact O-N 3.34Å
213	D	85	Confident	88.9	Confident	72 Å²	72	87.2 Å²	87.2	39%	0.385	45%	0.452	S	S	.	.	H	α-helix	trans	-61.7	-43.9	176.3	-72.7	-20.5	0	0	0	110.3	R209 V215 L216 T217	R209-D213 IonicContact NE-OD2 3.98Å; R209-D213 PolarHBondContact O-N 3.36Å; D213-V215 PolarHBondContact O-N 3.2Å; D213-L216 PolarHBondContact O-N 3.13Å; D213-T217 PolarHBondContact O-N 3.22Å; D213-T217 PolarHBondContact O-OG1 3.49Å
214	S	86.7	Confident	89	Confident	62 Å²	62	83.1 Å²	83.1	43%	0.434	43%	0.43	S	S	.	.	H	α-helix	trans	-62.4	-41	177.4	-175.1	0	0	0	0	113.1	N210 R211 L212 T217 H218	N210-S214 WeakPolarHBondContact O-CB 3.35Å; N210-S214 PolarHBondContact O-N 3.5Å; R211-S214 PolarHBondContact O-N 2.96Å; L212-S214 VanDerWaalsContact C-N 3.34Å; L212-S214 PolarHBondContact O-N 3.08Å; S214-T217 PolarHBondContact O-N 2.92Å; S214-H218 PolarHBondContact O-N 3.23Å; S214-H218 VanDerWaalsContact O-N 3.13Å; S214-H218 PolarHBondContact O-ND1 2.9Å
215	V	88	Confident	89	Confident	81 Å²	81	79.6 Å²	79.6	49%	0.491	41%	0.411	S	S	.	.	H	α-helix	trans	-60.6	-51.6	173.3	169.2	0	0	0	0	109.6	R211 L212 D213 T217 H218 M219	R211-V215 WeakPolarHBondContact O-CG2 3.39Å; R211-V215 PolarHBondContact O-N 3.33Å; L212-V215 PolarHBondContact O-N 2.98Å; D213-V215 PolarHBondContact O-N 3.2Å; V215-T217 VanDerWaalsContact C-N 3.29Å; V215-T217 PolarHBondContact O-N 3.31Å; V215-H218 PolarHBondContact O-N 3.04Å; V215-M219 HydrophobicContact CG1-CG 4.31Å; V215-M219 HydrophobicContact CG1-SD 4.25Å; V215-M219 VanDerWaalsContact O-CG 3.26Å; V215-M219 WeakPolarHBondContact O-CG 3.26Å; V215-M219 PolarHBondContact O-N 3.45Å
216	L	85.7	Confident	89.1	Confident	59 Å²	59	73.5 Å²	73.5	31%	0.309	38%	0.381	S	S	.	.	H	α-helix	trans	-59.2	-39.7	-179.5	-72	171.9	0	0	0	112.5	L212 D213 M219 V223 N236	L212-L216 WeakPolarHBondContact O-CG 3.38Å; L212-L216 PolarHBondContact O-N 3.34Å; D213-L216 PolarHBondContact O-N 3.13Å; L216-M219 HydrophobicContact CD2-SD 4.14Å; L216-V223 HydrophobicContact CD2-CG1 4.31Å; L216-N236 WeakPolarHBondContact O-CB 3.49Å; L216-N236 PolarHBondContact O-ND2 3.46Å
217	T	82	Confident	89.2	Confident	69 Å²	69	71.3 Å²	71.3	42%	0.423	37%	0.372	S	S	.	.	H	α-helix	trans	-66.6	-36.7	178.3	-57.1	0	0	0	0	113.1	D213 S214 V215 E237	D213-T217 PolarHBondContact O-N 3.22Å; D213-T217 PolarHBondContact O-OG1 3.49Å; S214-T217 PolarHBondContact O-N 2.92Å; V215-T217 VanDerWaalsContact C-N 3.29Å; V215-T217 PolarHBondContact O-N 3.31Å; T217-E237 HydrophobicContact CG2-CG 4.01Å
218	H	79.6	Confident	89.1	Confident	148 Å²	148	76.7 Å²	76.7	69%	0.685	38%	0.38	S	S	*	.	H	α-helix	trans	-99.6	6.2	-176	-64.9	85.7	0	0	0	114.2	S214 V215	S214-H218 PolarHBondContact O-N 3.23Å; S214-H218 VanDerWaalsContact O-N 3.13Å; S214-H218 PolarHBondContact O-ND1 2.9Å; V215-H218 PolarHBondContact O-N 3.04Å
219	M	88.5	Confident	89	Confident	63 Å²	63	81 Å²	81	31%	0.31	39%	0.391	S	S	.	.			trans	-63.9	136.2	171.9	-83.8	174.7	75	0	0	110.5	V215 L216 D221 V223	V215-M219 HydrophobicContact CG1-CG 4.31Å; V215-M219 HydrophobicContact CG1-SD 4.25Å; V215-M219 VanDerWaalsContact O-CG 3.26Å; V215-M219 WeakPolarHBondContact O-CG 3.26Å; V215-M219 PolarHBondContact O-N 3.45Å; L216-M219 HydrophobicContact CD2-SD 4.14Å; M219-D221 PolarHBondContact O-N 3.36Å; M219-V223 HydrophobicContact CE-CG2 3.69Å; M219-V223 HydrophobicContact SD-CG2 4.11Å
220	T	87.8	Confident	89	Confident	110 Å²	110	73 Å²	73	68%	0.675	36%	0.361	S	S	*	.	S	Bend	trans	-71.1	-17.2	175.3	49.8	0	0	0	0	113	M238	T220-M238 WeakPolarHBondContact O-CE 3.43Å; T220-M238 VanDerWaalsContact O-CG 3.26Å; T220-M238 WeakPolarHBondContact O-CG 3.29Å
221	D	92	Very high	89.3	Confident	46 Å²	46	73 Å²	73	25%	0.246	36%	0.357	C	S	.	.	S	Bend	trans	-101	147	179.4	-54.2	-27.6	0	0	0	109.9	M219 N236 M238 V313 H315	M219-D221 PolarHBondContact O-N 3.36Å; D221-N236 PolarHBondContact O-ND2 3.44Å; D221-M238 VanDerWaalsContact C-CG 3.48Å; D221-V313 HydrophobicContact CB-CG1 3.91Å; D221-H315 IonicContact OD1-CD2 2.65Å; D221-H315 PolarHBondContact OD1-CD2 2.83Å; D221-H315 IonicContact OD2-CD2 2.7Å; D221-H315 PolarHBondContact OD2-CD2 2.9Å; D221-H315 IonicContact OD2-NE2 3.6Å; D221-H315 PolarHBondContact OD2-NE2 3.45Å
222	G	93	Very high	89.6	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.3	172.9	0	0	0	0	0	110.6	N236 V313 I314	G222-N236 WeakPolarHBondContact CA-OD1 3.22Å; G222-V313 CarbonylContact O-C 3.6Å; G222-V313 VanDerWaalsContact O-CA 3.29Å; G222-V313 WeakPolarHBondContact O-CA 3.49Å; G222-I314 PolarHBondContact N-O 2.85Å; G222-I314 PolarHBondContact O-N 2.97Å
223	V	94.3	Very high	89.8	Confident	19 Å²	19	64.9 Å²	64.9	12%	0.115	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.2	178.3	-177.2	0	0	0	0	109.8	L216 M219 I235 N236 V311 V312	L216-V223 HydrophobicContact CD2-CG1 4.31Å; M219-V223 HydrophobicContact CE-CG2 3.69Å; M219-V223 HydrophobicContact SD-CG2 4.11Å; V223-I235 WeakPolarHBondContact O-CA 3.43Å; V223-N236 PolarHBondContact N-OD1 3.47Å; V223-N236 PolarHBondContact O-N 3.43Å; V223-N236 PolarHBondContact O-OD1 2.98Å; V223-V311 HydrophobicContact CG1-CG1 4.15Å; V223-V312 WeakPolarHBondContact CA-O 3.14Å
224	I	94.1	Very high	90.2	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	125.6	178.5	-49.5	179.5	0	0	0	109	V232 T234 I235 A239 L243 I255 L258 V311 V312 I314	I224-V232 HydrophobicContact CG2-CB 4.35Å; I224-V232 HydrophobicContact CG2-CG1 3.8Å; I224-V232 HydrophobicContact CG2-CG2 3.74Å; I224-T234 WeakPolarHBondContact CA-O 3.25Å; I224-I235 HydrophobicContact CD1-CD1 4.08Å; I224-I235 HydrophobicContact CG1-CD1 4.04Å; I224-I235 HydrophobicContact CG1-CG1 4.08Å; I224-A239 HydrophobicContact CD1-CB 4.38Å; I224-A239 HydrophobicContact CG1-CB 3.94Å; I224-L243 HydrophobicContact CD1-CD1 3.7Å; I224-I255 HydrophobicContact CB-CD1 4.41Å; I224-I255 HydrophobicContact CD1-CD1 4.08Å; I224-I255 HydrophobicContact CG2-CD1 3.92Å; I224-L258 HydrophobicContact CD1-CD2 3.92Å; I224-V311 CarbonylContact O-C 3.59Å; I224-V311 VanDerWaalsContact O-CA 3.3Å; I224-V311 WeakPolarHBondContact O-CA 3.32Å; I224-V312 HydrophobicContact CB-CB 4.32Å; I224-V312 PolarHBondContact N-O 2.95Å; I224-V312 PolarHBondContact O-N 2.83Å; I224-I314 HydrophobicContact CD1-CD1 3.59Å; I224-I314 HydrophobicContact CG1-CD1 4.26Å
225	A	93.6	Very high	90.5	Very high	24 Å²	24	62.8 Å²	62.8	20%	0.198	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.3	173.1	0	0	0	0	0	110.4	I233 T234 L310	A225-I233 PolarHBondContact O-N 3.47Å; A225-T234 PolarHBondContact N-O 2.9Å; A225-T234 PolarHBondContact O-N 3.18Å; A225-L310 CarbonylContact C-O 3.49Å; A225-L310 WeakPolarHBondContact CA-O 3.36Å
226	T	93.4	Very high	90.8	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	164	-176.6	64.7	0	0	0	0	112.4	K231 V232 I255 G309 L310	T226-K231 CarbonylContact C-O 3.44Å; T226-K231 WeakPolarHBondContact CA-O 3.22Å; T226-K231 WeakPolarHBondContact CB-O 3.48Å; T226-V232 HydrophobicContact CG2-CG2 4.38Å; T226-I255 HydrophobicContact CG2-CB 3.92Å; T226-I255 HydrophobicContact CG2-CD1 4.43Å; T226-I255 HydrophobicContact CG2-CG1 4.27Å; T226-I255 HydrophobicContact CG2-CG2 4.4Å; T226-G309 WeakPolarHBondContact O-CA 3.38Å; T226-L310 PolarHBondContact N-O 3.08Å; T226-L310 WeakPolarHBondContact OG1-CA 3.31Å; T226-L310 WeakPolarHBondContact OG1-CB 3.43Å; T226-L310 PolarHBondContact OG1-N 3.41Å; T226-L310 PolarHBondContact OG1-O 3.31Å
227	D	92.1	Very high	91.2	Very high	41 Å²	41	62.4 Å²	62.4	22%	0.219	30%	0.304	C	S	.	.			trans	-80.1	179.3	167.4	80.6	-4.6	0	0	0	111.9	R229 G230 K231 I233 S308 G309	D227-R229 PolarHBondContact O-N 2.78Å; D227-R229 VanDerWaalsContact OD1-C 3.28Å; D227-R229 VanDerWaalsContact OD1-CA 3.24Å; D227-R229 WeakPolarHBondContact OD1-CA 3.26Å; D227-R229 WeakPolarHBondContact OD1-CB 3.43Å; D227-R229 PolarHBondContact OD1-N 3.4Å; D227-G230 PolarHBondContact O-N 2.99Å; D227-G230 PolarHBondContact OD1-N 3.44Å; D227-K231 PolarHBondContact N-O 3.09Å; D227-K231 PolarHBondContact OD1-N 2.86Å; D227-I233 HydrophobicContact CB-CD1 3.7Å; D227-I233 HydrophobicContact CB-CG1 4.04Å; D227-S308 CarbonylContact C-O 3.6Å; D227-G309 WeakPolarHBondContact O-CA 3.33Å
228	R	88.8	Confident	91.7	Very high	173 Å²	173	62 Å²	62	65%	0.653	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-15.3	176.1	70.3	179.3	68	-176.4	0.2	115	S308	R228-S308 PolarHBondContact N-O 3.13Å; R228-S308 VanDerWaalsContact N-O 3.09Å
229	R	89.5	Confident	92.3	Very high	189 Å²	189	54.9 Å²	54.9	71%	0.713	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	3.5	179.5	-49	-176.5	91.3	-176.9	4.9	111.3	D227 K231 L267	D227-R229 PolarHBondContact O-N 2.78Å; D227-R229 VanDerWaalsContact OD1-C 3.28Å; D227-R229 VanDerWaalsContact OD1-CA 3.24Å; D227-R229 WeakPolarHBondContact OD1-CA 3.26Å; D227-R229 WeakPolarHBondContact OD1-CB 3.43Å; D227-R229 PolarHBondContact OD1-N 3.4Å; R229-K231 VanDerWaalsContact C-N 3.34Å; R229-L267 WeakPolarHBondContact O-CD2 3.23Å
230	G	89.6	Confident	92.5	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.01	26%	0.255	C	S	.	.	S	Bend	trans	78.3	14.7	-177.9	0	0	0	0	0	113.9	D227 I255	D227-G230 PolarHBondContact O-N 2.99Å; D227-G230 PolarHBondContact OD1-N 3.44Å; G230-I255 WeakPolarHBondContact O-CG2 3.39Å; G230-I255 PolarHBondContact O-N 2.8Å
231	K	94.3	Very high	92.6	Very high	101 Å²	101	51.4 Å²	51.4	44%	0.439	25%	0.25	S	S	.	.	B	Isolated β-bridge	trans	-82.1	133.7	174.2	-70.7	-169.8	166.8	-146	0	110.8	T226 D227 R229 I233 G252 Q253	T226-K231 CarbonylContact C-O 3.44Å; T226-K231 WeakPolarHBondContact CA-O 3.22Å; T226-K231 WeakPolarHBondContact CB-O 3.48Å; D227-K231 PolarHBondContact N-O 3.09Å; D227-K231 PolarHBondContact OD1-N 2.86Å; R229-K231 VanDerWaalsContact C-N 3.34Å; K231-I233 PolarHBondContact O-N 3.12Å; K231-G252 WeakPolarHBondContact CD-O 3.35Å; K231-Q253 CarbonylContact C-O 3.5Å; K231-Q253 VanDerWaalsContact CA-O 3.32Å; K231-Q253 WeakPolarHBondContact CA-O 3.11Å
232	V	94.8	Very high	92.4	Very high	4 Å²	4	50 Å²	50	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	125.8	178.8	179	0	0	0	0	110.5	I224 T226 I235 A250 G252 Q253 L258	I224-V232 HydrophobicContact CG2-CB 4.35Å; I224-V232 HydrophobicContact CG2-CG1 3.8Å; I224-V232 HydrophobicContact CG2-CG2 3.74Å; T226-V232 HydrophobicContact CG2-CG2 4.38Å; V232-I235 HydrophobicContact CG1-CB 4.23Å; V232-A250 WeakPolarHBondContact CB-O 3.49Å; V232-G252 PolarHBondContact O-N 3.38Å; V232-Q253 PolarHBondContact N-O 3.3Å; V232-L258 HydrophobicContact CG2-CD2 3.82Å
233	I	94.1	Very high	92.1	Very high	98 Å²	98	50.7 Å²	50.7	50%	0.503	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-41.3	173.5	-59.3	170.9	0	0	0	109.7	A225 D227 K231	A225-I233 PolarHBondContact O-N 3.47Å; D227-I233 HydrophobicContact CB-CD1 3.7Å; D227-I233 HydrophobicContact CB-CG1 4.04Å; K231-I233 PolarHBondContact O-N 3.12Å
234	T	92.5	Very high	91.8	Very high	73 Å²	73	55.1 Å²	55.1	45%	0.448	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	142	-175.7	-59.5	0	0	0	0	109.4	I224 A225	I224-T234 WeakPolarHBondContact CA-O 3.25Å; A225-T234 PolarHBondContact N-O 2.9Å; A225-T234 PolarHBondContact O-N 3.18Å
235	I	93.8	Very high	91.5	Very high	18 Å²	18	56.4 Å²	56.4	9%	0.092	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	134.6	176.3	-176.1	159.5	0	0	0	107.7	V223 I224 V232 A239 L240 L243 A250 L258	V223-I235 WeakPolarHBondContact O-CA 3.43Å; I224-I235 HydrophobicContact CD1-CD1 4.08Å; I224-I235 HydrophobicContact CG1-CD1 4.04Å; I224-I235 HydrophobicContact CG1-CG1 4.08Å; V232-I235 HydrophobicContact CG1-CB 4.23Å; I235-A239 HydrophobicContact CD1-CB 3.87Å; I235-A239 HydrophobicContact CG1-CB 3.55Å; I235-L240 HydrophobicContact CD1-CD2 3.76Å; I235-L240 HydrophobicContact CD1-CG 4.34Å; I235-L240 HydrophobicContact CG1-CD2 3.99Å; I235-L240 HydrophobicContact CG1-CG 4.14Å; I235-L240 HydrophobicContact CG2-CD2 3.81Å; I235-L240 HydrophobicContact CG2-CG 4.27Å; I235-L243 HydrophobicContact CD1-CD1 4.34Å; I235-A250 HydrophobicContact CD1-CB 4.02Å; I235-A250 HydrophobicContact CG2-CB 4.21Å; I235-L258 HydrophobicContact CD1-CD2 4.22Å
236	N	93.9	Very high	91.4	Very high	11 Å²	11	58.5 Å²	58.5	6%	0.059	29%	0.288	C	S	.	.			trans	-87	167.2	176.8	77.2	-18.1	0	0	0	112.3	L216 D221 G222 V223 M238 A239 L240	L216-N236 WeakPolarHBondContact O-CB 3.49Å; L216-N236 PolarHBondContact O-ND2 3.46Å; D221-N236 PolarHBondContact O-ND2 3.44Å; G222-N236 WeakPolarHBondContact CA-OD1 3.22Å; V223-N236 PolarHBondContact N-OD1 3.47Å; V223-N236 PolarHBondContact O-N 3.43Å; V223-N236 PolarHBondContact O-OD1 2.98Å; N236-M238 VanDerWaalsContact C-N 3.3Å; N236-M238 PolarHBondContact O-N 2.98Å; N236-A239 PolarHBondContact O-N 3.2Å; N236-A239 VanDerWaalsContact OD1-CB 3.25Å; N236-A239 WeakPolarHBondContact OD1-CB 3.22Å; N236-A239 PolarHBondContact OD1-N 2.8Å; N236-L240 WeakPolarHBondContact O-CG 3.48Å; N236-L240 PolarHBondContact O-N 2.89Å; N236-L240 VanDerWaalsContact O-N 3.14Å
237	E	92.5	Very high	91.3	Very high	120 Å²	120	60.8 Å²	60.8	56%	0.561	30%	0.304	S	S	*	.	H	α-helix	trans	-57.6	-40.2	-178.6	-69.6	-61.5	147.2	0	0	112.9	T217 A239 L240 S241	T217-E237 HydrophobicContact CG2-CG 4.01Å; E237-A239 PolarHBondContact O-N 3.48Å; E237-L240 WeakPolarHBondContact O-CB 3.48Å; E237-L240 PolarHBondContact O-N 3.2Å; E237-S241 PolarHBondContact O-N 3.33Å
238	M	93.2	Very high	91.2	Very high	60 Å²	60	67.7 Å²	67.7	30%	0.296	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-44.7	178.2	-179.8	56.1	69	0	0	111.9	T220 D221 N236 L240 S241 L242	T220-M238 WeakPolarHBondContact O-CE 3.43Å; T220-M238 VanDerWaalsContact O-CG 3.26Å; T220-M238 WeakPolarHBondContact O-CG 3.29Å; D221-M238 VanDerWaalsContact C-CG 3.48Å; N236-M238 VanDerWaalsContact C-N 3.3Å; N236-M238 PolarHBondContact O-N 2.98Å; M238-L240 VanDerWaalsContact C-N 3.29Å; M238-L240 PolarHBondContact O-N 3.14Å; M238-S241 WeakPolarHBondContact O-CB 3.41Å; M238-S241 PolarHBondContact O-N 3.37Å; M238-L242 HydrophobicContact CG-CD1 3.92Å; M238-L242 HydrophobicContact CG-CG 4.27Å; M238-L242 WeakPolarHBondContact O-CG 3.35Å; M238-L242 PolarHBondContact O-N 2.84Å; M238-L242 HydrophobicContact SD-CD1 4.06Å; M238-L242 HydrophobicContact SD-CD2 4.29Å; M238-L242 HydrophobicContact SD-CG 3.88Å
239	A	93	Very high	91.3	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-35.7	176.3	0	0	0	0	0	112.1	I224 I235 N236 E237 L243	I224-A239 HydrophobicContact CD1-CB 4.38Å; I224-A239 HydrophobicContact CG1-CB 3.94Å; I235-A239 HydrophobicContact CD1-CB 3.87Å; I235-A239 HydrophobicContact CG1-CB 3.55Å; N236-A239 PolarHBondContact O-N 3.2Å; N236-A239 VanDerWaalsContact OD1-CB 3.25Å; N236-A239 WeakPolarHBondContact OD1-CB 3.22Å; N236-A239 PolarHBondContact OD1-N 2.8Å; E237-A239 PolarHBondContact O-N 3.48Å; A239-L243 VanDerWaalsContact O-CB 3.23Å; A239-L243 WeakPolarHBondContact O-CB 3.49Å; A239-L243 VanDerWaalsContact O-CG 3.25Å; A239-L243 WeakPolarHBondContact O-CG 3.47Å; A239-L243 PolarHBondContact O-N 2.93Å
240	L	91.8	Very high	91.4	Very high	17 Å²	17	56.3 Å²	56.3	9%	0.089	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-43.8	174	-65.8	175.8	0	0	0	111.7	I235 N236 E237 M238 N244 T245 A250	I235-L240 HydrophobicContact CD1-CD2 3.76Å; I235-L240 HydrophobicContact CD1-CG 4.34Å; I235-L240 HydrophobicContact CG1-CD2 3.99Å; I235-L240 HydrophobicContact CG1-CG 4.14Å; I235-L240 HydrophobicContact CG2-CD2 3.81Å; I235-L240 HydrophobicContact CG2-CG 4.27Å; N236-L240 WeakPolarHBondContact O-CG 3.48Å; N236-L240 PolarHBondContact O-N 2.89Å; N236-L240 VanDerWaalsContact O-N 3.14Å; E237-L240 WeakPolarHBondContact O-CB 3.48Å; E237-L240 PolarHBondContact O-N 3.2Å; M238-L240 VanDerWaalsContact C-N 3.29Å; M238-L240 PolarHBondContact O-N 3.14Å; L240-N244 PolarHBondContact O-N 3.05Å; L240-T245 HydrophobicContact CD2-CG2 3.74Å; L240-T245 PolarHBondContact O-N 3.3Å; L240-T245 VanDerWaalsContact O-N 3.1Å; L240-A250 HydrophobicContact CD2-CB 4.36Å
241	S	89.6	Confident	91.5	Very high	83 Å²	83	60.5 Å²	60.5	58%	0.58	32%	0.318	S	S	*	.	H	α-helix	trans	-63.6	-51.6	177	-173	0	0	0	0	111.9	E237 M238 L243 N244	E237-S241 PolarHBondContact O-N 3.33Å; M238-S241 WeakPolarHBondContact O-CB 3.41Å; M238-S241 PolarHBondContact O-N 3.37Å; S241-L243 VanDerWaalsContact C-N 3.3Å; S241-L243 PolarHBondContact O-N 3.45Å; S241-N244 PolarHBondContact O-N 2.84Å
242	L	88.5	Confident	91.4	Very high	16 Å²	16	57.3 Å²	57.3	8%	0.084	31%	0.314	C	S	.	.	H	α-helix	trans	-62.9	-35.8	-179.6	-66.6	174.1	0	0	0	112.3	M238 M291 L293 I314 D316	M238-L242 HydrophobicContact CG-CD1 3.92Å; M238-L242 HydrophobicContact CG-CG 4.27Å; M238-L242 WeakPolarHBondContact O-CG 3.35Å; M238-L242 PolarHBondContact O-N 2.84Å; M238-L242 HydrophobicContact SD-CD1 4.06Å; M238-L242 HydrophobicContact SD-CD2 4.29Å; M238-L242 HydrophobicContact SD-CG 3.88Å; L242-M291 HydrophobicContact CD2-SD 4.2Å; L242-M291 WeakPolarHBondContact O-CE 3.5Å; L242-L293 HydrophobicContact CB-CD1 4.26Å; L242-L293 HydrophobicContact CB-CD2 4.37Å; L242-L293 HydrophobicContact CD1-CD2 4.36Å; L242-L293 HydrophobicContact CD2-CD2 4.05Å; L242-L293 HydrophobicContact CG-CD2 4.49Å; L242-I314 HydrophobicContact CD1-CB 4.45Å; L242-I314 HydrophobicContact CD1-CG2 3.99Å; L242-D316 HydrophobicContact CD2-CB 4.22Å
243	L	87.4	Confident	91.3	Very high	14 Å²	14	60 Å²	60	7%	0.073	33%	0.326	C	S	.	.	H	α-helix	trans	-89	-2.4	180	-62.6	174.5	0	0	0	113.6	I224 I235 A239 S241 T245 L258 L259 L293 I314	I224-L243 HydrophobicContact CD1-CD1 3.7Å; I235-L243 HydrophobicContact CD1-CD1 4.34Å; A239-L243 VanDerWaalsContact O-CB 3.23Å; A239-L243 WeakPolarHBondContact O-CB 3.49Å; A239-L243 VanDerWaalsContact O-CG 3.25Å; A239-L243 WeakPolarHBondContact O-CG 3.47Å; A239-L243 PolarHBondContact O-N 2.93Å; S241-L243 VanDerWaalsContact C-N 3.3Å; S241-L243 PolarHBondContact O-N 3.45Å; L243-T245 VanDerWaalsContact C-N 3.26Å; L243-T245 HydrophobicContact CB-CG2 3.95Å; L243-T245 PolarHBondContact O-N 2.73Å; L243-L258 HydrophobicContact CD1-CD1 4.23Å; L243-L258 HydrophobicContact CD1-CD2 4.02Å; L243-L258 HydrophobicContact CD1-CG 3.88Å; L243-L259 HydrophobicContact CD1-CD2 4.25Å; L243-L259 HydrophobicContact CD2-CD2 3.81Å; L243-L293 HydrophobicContact CD2-CD1 4.31Å; L243-I314 HydrophobicContact CD1-CD1 4.05Å; L243-I314 HydrophobicContact CD2-CD1 4.33Å; L243-I314 HydrophobicContact CG-CD1 4.3Å
244	N	86.7	Confident	91.2	Very high	112 Å²	112	57.2 Å²	57.2	60%	0.599	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	45.7	-175.2	-75.6	-57.5	0	0	0	112.8	L240 S241 K283	L240-N244 PolarHBondContact O-N 3.05Å; S241-N244 PolarHBondContact O-N 2.84Å; N244-K283 PolarHBondContact ND2-NZ 2.88Å
245	T	88.1	Confident	91.1	Very high	27 Å²	27	53.8 Å²	53.8	17%	0.166	29%	0.294	C	S	.	.			trans	-128.3	168.9	-176.8	-166.7	0	0	0	0	111.5	L240 L243 A250 L258	L240-T245 HydrophobicContact CD2-CG2 3.74Å; L240-T245 PolarHBondContact O-N 3.3Å; L240-T245 VanDerWaalsContact O-N 3.1Å; L243-T245 VanDerWaalsContact C-N 3.26Å; L243-T245 HydrophobicContact CB-CG2 3.95Å; L243-T245 PolarHBondContact O-N 2.73Å; T245-A250 HydrophobicContact CG2-CB 4.16Å; T245-L258 HydrophobicContact CG2-CD1 4.21Å
246	T	91.9	Very high	90.9	Very high	69 Å²	69	54.1 Å²	54.1	42%	0.423	30%	0.296	S	S	.	.			trans	-108.3	152.4	175.3	60.6	0	0	0	0	110.8	E248 Q249 A250	T246-E248 PolarHBondContact O-N 3.22Å; T246-Q249 PolarHBondContact O-N 2.81Å; T246-Q249 VanDerWaalsContact OG1-CG 3.31Å; T246-Q249 WeakPolarHBondContact OG1-CG 3.3Å; T246-Q249 PolarHBondContact OG1-OE1 2.85Å; T246-A250 PolarHBondContact O-N 3.42Å
247	S	91	Very high	90.6	Very high	50 Å²	50	55.9 Å²	55.9	35%	0.35	31%	0.307	S	S	.	.	H	α-helix	trans	-56.7	-34.2	178.5	-173.1	0	0	0	0	112.6	Q249 I251	S247-Q249 VanDerWaalsContact C-N 3.33Å; S247-I251 WeakPolarHBondContact O-CB 3.34Å; S247-I251 WeakPolarHBondContact O-CG1 3.34Å; S247-I251 PolarHBondContact O-N 3.1Å; S247-I251 VanDerWaalsContact OG-CD1 3.22Å; S247-I251 WeakPolarHBondContact OG-CD1 3.37Å
248	E	90.2	Very high	90.4	Very high	185 Å²	185	50.7 Å²	50.7	86%	0.864	28%	0.283	S	S	*	.	H	α-helix	trans	-67.1	-33.4	178.5	-65.8	-174.3	175	0	0	112.9	T246	T246-E248 PolarHBondContact O-N 3.22Å
249	Q	90	Very high	90.1	Very high	123 Å²	123	47.9 Å²	47.9	58%	0.575	27%	0.27	S	S	*	.	H	α-helix	trans	-81.8	-37.9	178.2	-70.2	167.6	-28.2	0	0	111.6	T246 S247 Q253	T246-Q249 PolarHBondContact O-N 2.81Å; T246-Q249 VanDerWaalsContact OG1-CG 3.31Å; T246-Q249 WeakPolarHBondContact OG1-CG 3.3Å; T246-Q249 PolarHBondContact OG1-OE1 2.85Å; S247-Q249 VanDerWaalsContact C-N 3.33Å; Q249-Q253 PolarHBondContact O-OE1 3.35Å
250	A	91.6	Very high	89.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-73.8	-42.6	-176.9	0	0	0	0	0	112.7	V232 I235 L240 T245 T246 G252 Q253 L258	V232-A250 WeakPolarHBondContact CB-O 3.49Å; I235-A250 HydrophobicContact CD1-CB 4.02Å; I235-A250 HydrophobicContact CG2-CB 4.21Å; L240-A250 HydrophobicContact CD2-CB 4.36Å; T245-A250 HydrophobicContact CG2-CB 4.16Å; T246-A250 PolarHBondContact O-N 3.42Å; A250-G252 PolarHBondContact O-N 3.34Å; A250-Q253 VanDerWaalsContact O-CB 3.3Å; A250-Q253 WeakPolarHBondContact O-CB 3.47Å; A250-Q253 PolarHBondContact O-N 3.23Å; A250-Q253 VanDerWaalsContact O-N 3.13Å; A250-L258 HydrophobicContact CB-CD1 4.34Å; A250-L258 HydrophobicContact CB-CD2 4.38Å
251	I	93	Very high	89.3	Confident	90 Å²	90	52.9 Å²	52.9	46%	0.462	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	125.9	-176.4	-68.6	172.5	0	0	0	110.4	S247 Q253	S247-I251 WeakPolarHBondContact O-CB 3.34Å; S247-I251 WeakPolarHBondContact O-CG1 3.34Å; S247-I251 PolarHBondContact O-N 3.1Å; S247-I251 VanDerWaalsContact OG-CD1 3.22Å; S247-I251 WeakPolarHBondContact OG-CD1 3.37Å; I251-Q253 VanDerWaalsContact C-N 3.28Å; I251-Q253 PolarHBondContact O-N 3.06Å
252	G	91.9	Very high	88.8	Confident	33 Å²	33	54.5 Å²	54.5	34%	0.34	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	-8.7	-179	0	0	0	0	0	115.3	K231 V232 A250	K231-G252 WeakPolarHBondContact CD-O 3.35Å; V232-G252 PolarHBondContact O-N 3.38Å; A250-G252 PolarHBondContact O-N 3.34Å
253	Q	92.3	Very high	88.1	Confident	61 Å²	61	63 Å²	63	29%	0.285	33%	0.334	S	S	.	.	S	Bend	trans	-72.7	152.1	170.8	-167.4	172.8	2.4	0	0	110.5	K231 V232 Q249 A250 I251	K231-Q253 CarbonylContact C-O 3.5Å; K231-Q253 VanDerWaalsContact CA-O 3.32Å; K231-Q253 WeakPolarHBondContact CA-O 3.11Å; V232-Q253 PolarHBondContact N-O 3.3Å; Q249-Q253 PolarHBondContact O-OE1 3.35Å; A250-Q253 VanDerWaalsContact O-CB 3.3Å; A250-Q253 WeakPolarHBondContact O-CB 3.47Å; A250-Q253 PolarHBondContact O-N 3.23Å; A250-Q253 VanDerWaalsContact O-N 3.13Å; I251-Q253 VanDerWaalsContact C-N 3.28Å; I251-Q253 PolarHBondContact O-N 3.06Å
254	S	92.4	Very high	87.5	Confident	39 Å²	39	69.1 Å²	69.1	27%	0.273	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-71.2	136.1	173.6	172.7	0	0	0	0	110.2	L256 T257 L258	S254-L256 PolarHBondContact O-N 2.77Å; S254-L256 PolarHBondContact OG-N 2.99Å; S254-T257 WeakPolarHBondContact CB-OG1 3.36Å; S254-T257 WeakPolarHBondContact O-CB 3.24Å; S254-T257 PolarHBondContact O-N 2.81Å; S254-T257 VanDerWaalsContact O-N 3.08Å; S254-L258 PolarHBondContact O-N 2.76Å
255	I	90.6	Very high	87.3	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-58.1	-32.5	177	-170.5	59.8	0	0	0	112.6	I224 T226 G230 L258 L259 L267 F297 V312	I224-I255 HydrophobicContact CB-CD1 4.41Å; I224-I255 HydrophobicContact CD1-CD1 4.08Å; I224-I255 HydrophobicContact CG2-CD1 3.92Å; T226-I255 HydrophobicContact CG2-CB 3.92Å; T226-I255 HydrophobicContact CG2-CD1 4.43Å; T226-I255 HydrophobicContact CG2-CG1 4.27Å; T226-I255 HydrophobicContact CG2-CG2 4.4Å; G230-I255 WeakPolarHBondContact O-CG2 3.39Å; G230-I255 PolarHBondContact O-N 2.8Å; I255-L258 HydrophobicContact CD1-CD2 4.47Å; I255-L258 PolarHBondContact O-N 2.92Å; I255-L259 HydrophobicContact CD1-CD1 3.77Å; I255-L259 HydrophobicContact CD1-CG 3.97Å; I255-L259 HydrophobicContact CG1-CD1 3.93Å; I255-L259 HydrophobicContact CG1-CG 4.41Å; I255-L259 WeakPolarHBondContact O-CB 3.49Å; I255-L259 PolarHBondContact O-N 2.81Å; I255-L267 HydrophobicContact CG2-CD1 4.23Å; I255-F297 HydrophobicContact CG1-CE1 4.47Å; I255-V312 HydrophobicContact CD1-CG2 3.98Å; I255-V312 HydrophobicContact CG1-CG2 3.95Å
256	L	88.9	Confident	87	Confident	24 Å²	24	68.7 Å²	68.7	13%	0.126	36%	0.359	C	S	.	.	H	α-helix	trans	-65.9	-40.6	177.2	-61.8	174.3	0	0	0	111.4	S254 D260 L261 E262 L267 L270	S254-L256 PolarHBondContact O-N 2.77Å; S254-L256 PolarHBondContact OG-N 2.99Å; L256-D260 PolarHBondContact O-N 2.8Å; L256-D260 VanDerWaalsContact O-N 3.16Å; L256-L261 HydrophobicContact CD2-CB 4.16Å; L256-L261 PolarHBondContact O-N 2.98Å; L256-E262 HydrophobicContact CB-CG 3.91Å; L256-L267 HydrophobicContact CD1-CB 4.37Å; L256-L270 HydrophobicContact CD2-CD1 3.62Å
257	T	88.9	Confident	86.5	Confident	49 Å²	49	67.3 Å²	67.3	30%	0.301	35%	0.349	S	S	.	.	H	α-helix	trans	-70.3	-41.6	176.1	-37.5	0	0	0	0	110.8	S254 L259 D260 E262	S254-T257 WeakPolarHBondContact CB-OG1 3.36Å; S254-T257 WeakPolarHBondContact O-CB 3.24Å; S254-T257 PolarHBondContact O-N 2.81Å; S254-T257 VanDerWaalsContact O-N 3.08Å; T257-L259 VanDerWaalsContact C-N 3.28Å; T257-L259 PolarHBondContact O-N 2.85Å; T257-D260 PolarHBondContact O-N 3.01Å; T257-E262 WeakPolarHBondContact CA-OE1 3.02Å; T257-E262 WeakPolarHBondContact CB-OE1 3.24Å; T257-E262 WeakPolarHBondContact CG2-OE1 3.34Å; T257-E262 PolarHBondContact OG1-OE1 3.01Å
258	L	88.4	Confident	85.9	Confident	11 Å²	11	73.3 Å²	73.3	6%	0.058	36%	0.364	C	S	.	.	H	α-helix	trans	-65.1	-34.8	-177.3	-176.1	63.8	0	0	0	112	I224 V232 I235 L243 T245 A250 S254 I255 R281	I224-L258 HydrophobicContact CD1-CD2 3.92Å; V232-L258 HydrophobicContact CG2-CD2 3.82Å; I235-L258 HydrophobicContact CD1-CD2 4.22Å; L243-L258 HydrophobicContact CD1-CD1 4.23Å; L243-L258 HydrophobicContact CD1-CD2 4.02Å; L243-L258 HydrophobicContact CD1-CG 3.88Å; T245-L258 HydrophobicContact CG2-CD1 4.21Å; A250-L258 HydrophobicContact CB-CD1 4.34Å; A250-L258 HydrophobicContact CB-CD2 4.38Å; S254-L258 PolarHBondContact O-N 2.76Å; I255-L258 HydrophobicContact CD1-CD2 4.47Å; I255-L258 PolarHBondContact O-N 2.92Å; L258-R281 PolarHBondContact O-NH2 3.36Å; L258-R281 VanDerWaalsContact O-NH2 3.09Å
259	L	86.5	Confident	85.4	Confident	1 Å²	1	69 Å²	69	1%	0.005	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	3.1	179.5	-65.9	-179.5	0	0	0	114.1	L243 I255 T257 L261 I279 R281 F297 V312 I314	L243-L259 HydrophobicContact CD1-CD2 4.25Å; L243-L259 HydrophobicContact CD2-CD2 3.81Å; I255-L259 HydrophobicContact CD1-CD1 3.77Å; I255-L259 HydrophobicContact CD1-CG 3.97Å; I255-L259 HydrophobicContact CG1-CD1 3.93Å; I255-L259 HydrophobicContact CG1-CG 4.41Å; I255-L259 WeakPolarHBondContact O-CB 3.49Å; I255-L259 PolarHBondContact O-N 2.81Å; T257-L259 VanDerWaalsContact C-N 3.28Å; T257-L259 PolarHBondContact O-N 2.85Å; L259-L261 VanDerWaalsContact C-N 3.25Å; L259-L261 HydrophobicContact CB-CD1 3.72Å; L259-L261 HydrophobicContact CB-CG 3.75Å; L259-L261 HydrophobicContact CD1-CD1 3.96Å; L259-L261 PolarHBondContact O-N 2.79Å; L259-I279 HydrophobicContact CB-CD1 3.96Å; L259-I279 HydrophobicContact CD1-CD1 4.32Å; L259-I279 HydrophobicContact CD2-CD1 4.16Å; L259-I279 HydrophobicContact CG-CD1 4.38Å; L259-R281 VanDerWaalsContact CA-NH2 3.33Å; L259-R281 PolarHBondContact O-NH2 3.2Å; L259-F297 HydrophobicContact CD1-CE1 4.07Å; L259-F297 HydrophobicContact CD1-CZ 3.7Å; L259-V312 HydrophobicContact CD1-CG1 4.14Å; L259-I314 HydrophobicContact CD2-CD1 3.86Å
260	D	84.1	Confident	84.8	Confident	112 Å²	112	63.3 Å²	63.3	60%	0.599	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	35.4	-174.4	-60.6	-54.8	0	0	0	113.9	L256 T257 R281	L256-D260 PolarHBondContact O-N 2.8Å; L256-D260 VanDerWaalsContact O-N 3.16Å; T257-D260 PolarHBondContact O-N 3.01Å; D260-R281 IonicContact OD2-CZ 3.06Å; D260-R281 IonicContact OD2-NH1 3.3Å; D260-R281 PolarHBondContact OD2-NH1 2.82Å; D260-R281 IonicContact OD2-NH2 2.93Å; D260-R281 PolarHBondContact OD2-NH2 2.99Å
261	L	83	Confident	84.1	Confident	9 Å²	9	65.4 Å²	65.4	5%	0.047	33%	0.327	C	S	.	.			trans	-97.9	5.6	-177.8	-64	175.6	0	0	0	114	L256 L259 E263 E264 Y265 I277 I279 F297	L256-L261 HydrophobicContact CD2-CB 4.16Å; L256-L261 PolarHBondContact O-N 2.98Å; L259-L261 VanDerWaalsContact C-N 3.25Å; L259-L261 HydrophobicContact CB-CD1 3.72Å; L259-L261 HydrophobicContact CB-CG 3.75Å; L259-L261 HydrophobicContact CD1-CD1 3.96Å; L259-L261 PolarHBondContact O-N 2.79Å; L261-E263 PolarHBondContact O-N 2.86Å; L261-E264 PolarHBondContact O-N 3.48Å; L261-Y265 HydrophobicContact CB-CD2 4.27Å; L261-Y265 HydrophobicContact CD2-CD2 3.94Å; L261-Y265 HydrophobicContact CD2-CE2 4.24Å; L261-Y265 PolarHBondContact O-N 3.06Å; L261-I277 HydrophobicContact CD1-CD1 4.42Å; L261-I277 HydrophobicContact CD2-CG2 4.06Å; L261-I279 HydrophobicContact CD1-CD1 4.28Å; L261-I279 HydrophobicContact CD2-CD1 4.11Å; L261-I279 HydrophobicContact CD2-CG1 4.23Å; L261-I279 HydrophobicContact CG-CD1 4.32Å; L261-F297 HydrophobicContact CD1-CZ 3.8Å
262	E	78.6	Confident	83.2	Confident	117 Å²	117	66.7 Å²	66.7	55%	0.547	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-28	-172.3	-63.2	-168.5	162.4	0	0	114	L256 T257	L256-E262 HydrophobicContact CB-CG 3.91Å; T257-E262 WeakPolarHBondContact CA-OE1 3.02Å; T257-E262 WeakPolarHBondContact CB-OE1 3.24Å; T257-E262 WeakPolarHBondContact CG2-OE1 3.34Å; T257-E262 PolarHBondContact OG1-OE1 3.01Å
263	E	75	Confident	82.1	Confident	196 Å²	196	68.4 Å²	68.4	92%	0.916	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-32.3	-178.2	-61.7	-165.1	166.5	0	0	112.8	L261	L261-E263 PolarHBondContact O-N 2.86Å
264	E	75.3	Confident	80.8	Confident	142 Å²	142	68.8 Å²	68.8	66%	0.664	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-28	-170.3	-66.8	-172.4	169.8	0	0	114	L261	L261-E264 PolarHBondContact O-N 3.48Å
265	Y	80.9	Confident	79.8	Confident	44 Å²	44	71.7 Å²	71.7	17%	0.173	35%	0.352	C	S	.	.			trans	-126.4	142.2	-172	-63.8	-91.8	0	0	0	112.6	L261 K269 L270 I277	L261-Y265 HydrophobicContact CB-CD2 4.27Å; L261-Y265 HydrophobicContact CD2-CD2 3.94Å; L261-Y265 HydrophobicContact CD2-CE2 4.24Å; L261-Y265 PolarHBondContact O-N 3.06Å; Y265-K269 HydrophobicContact CD1-CD 4.14Å; Y265-L270 HydrophobicContact CD1-CD2 4.06Å; Y265-L270 HydrophobicContact CG-CD2 4.41Å; Y265-I277 HydrophobicContact CD1-CD1 3.8Å; Y265-I277 HydrophobicContact CD2-CD1 4.18Å; Y265-I277 HydrophobicContact CE1-CD1 3.55Å; Y265-I277 HydrophobicContact CE1-CG1 4.25Å; Y265-I277 HydrophobicContact CE2-CD1 3.96Å; Y265-I277 HydrophobicContact CE2-CG2 4.18Å; Y265-I277 HydrophobicContact CG-CD1 4.12Å
266	T	81.8	Confident	79.3	Confident	86 Å²	86	78.4 Å²	78.4	53%	0.528	38%	0.383	S	S	.	.			trans	-104.9	150.1	166.1	60	0	0	0	0	109.2	R268 K269 L270	T266-R268 PolarHBondContact O-N 2.78Å; T266-R268 VanDerWaalsContact O-N 3.09Å; T266-K269 WeakPolarHBondContact O-CB 3.38Å; T266-K269 PolarHBondContact O-N 3.12Å; T266-K269 PolarHBondContact OG1-N 3.05Å; T266-L270 PolarHBondContact O-N 2.95Å
267	L	80.9	Confident	79.1	Confident	39 Å²	39	77.6 Å²	77.6	20%	0.204	38%	0.379	C	S	.	.	H	α-helix	trans	-53.4	-35	176.3	-173.4	70.2	0	0	0	111.8	R229 I255 L256 L270 L271 L310	R229-L267 WeakPolarHBondContact O-CD2 3.23Å; I255-L267 HydrophobicContact CG2-CD1 4.23Å; L256-L267 HydrophobicContact CD1-CB 4.37Å; L267-L270 PolarHBondContact O-N 3.47Å; L267-L271 HydrophobicContact CG-CD1 4.13Å; L267-L271 VanDerWaalsContact O-CG 3.31Å; L267-L271 WeakPolarHBondContact O-CG 3.44Å; L267-L271 PolarHBondContact O-N 3.31Å; L267-L271 VanDerWaalsContact O-N 3.07Å; L267-L310 HydrophobicContact CD1-CD1 3.57Å
268	R	79	Confident	78.8	Confident	176 Å²	176	79.9 Å²	79.9	66%	0.664	39%	0.389	S	S	*	.	H	α-helix	trans	-62.5	-43.6	176.2	-175.9	175.2	177.5	179.2	-2.1	112.2	T266 L271 E272	T266-R268 PolarHBondContact O-N 2.78Å; T266-R268 VanDerWaalsContact O-N 3.09Å; R268-L271 PolarHBondContact O-N 3.45Å; R268-E272 HydrophobicContact CG-CG 4.39Å; R268-E272 IonicContact CZ-OE1 3.26Å; R268-E272 IonicContact NE-OE1 3.88Å; R268-E272 PolarHBondContact NE-OE1 3.33Å; R268-E272 IonicContact NH2-OE1 3.56Å; R268-E272 PolarHBondContact NH2-OE1 3.32Å; R268-E272 VanDerWaalsContact NH2-OE1 3.14Å; R268-E272 WeakPolarHBondContact O-CB 3.29Å; R268-E272 WeakPolarHBondContact O-CG 3.49Å; R268-E272 PolarHBondContact O-N 3.05Å
269	K	79.2	Confident	78.4	Confident	95 Å²	95	80 Å²	80	41%	0.413	39%	0.389	S	S	.	.	H	α-helix	trans	-63.7	-42.3	178.9	-166.9	179.2	176.6	-164.1	0	111.2	Y265 T266 L271 E272 T273	Y265-K269 HydrophobicContact CD1-CD 4.14Å; T266-K269 WeakPolarHBondContact O-CB 3.38Å; T266-K269 PolarHBondContact O-N 3.12Å; T266-K269 PolarHBondContact OG1-N 3.05Å; K269-L271 VanDerWaalsContact C-N 3.31Å; K269-L271 PolarHBondContact O-N 2.97Å; K269-E272 PolarHBondContact O-N 3.18Å; K269-T273 PolarHBondContact O-N 2.59Å
270	L	78.4	Confident	77.9	Confident	3 Å²	3	84 Å²	84	2%	0.016	41%	0.41	C	S	.	.	H	α-helix	trans	-63.7	-33.3	175.2	-63.6	175.2	0	0	0	113.1	L256 Y265 T266 L267 I277 F297	L256-L270 HydrophobicContact CD2-CD1 3.62Å; Y265-L270 HydrophobicContact CD1-CD2 4.06Å; Y265-L270 HydrophobicContact CG-CD2 4.41Å; T266-L270 PolarHBondContact O-N 2.95Å; L267-L270 PolarHBondContact O-N 3.47Å; L270-I277 HydrophobicContact CD2-CD1 3.53Å; L270-F297 HydrophobicContact CD1-CD1 4.18Å; L270-F297 HydrophobicContact CD1-CE1 3.87Å; L270-F297 HydrophobicContact CD1-CZ 4.39Å; L270-F297 HydrophobicContact CD2-CD1 4.23Å; L270-F297 HydrophobicContact CD2-CD2 4.2Å; L270-F297 HydrophobicContact CD2-CE1 4.22Å; L270-F297 HydrophobicContact CD2-CE2 4.2Å; L270-F297 HydrophobicContact CD2-CG 4.23Å; L270-F297 HydrophobicContact CD2-CZ 4.21Å
271	L	76.2	Confident	77.4	Confident	44 Å²	44	81 Å²	81	23%	0.23	39%	0.391	C	S	.	.	H	α-helix	trans	-77.1	-33.4	176.3	-74	165.2	0	0	0	113	L267 R268 K269 M299 I307 L310	L267-L271 HydrophobicContact CG-CD1 4.13Å; L267-L271 VanDerWaalsContact O-CG 3.31Å; L267-L271 WeakPolarHBondContact O-CG 3.44Å; L267-L271 PolarHBondContact O-N 3.31Å; L267-L271 VanDerWaalsContact O-N 3.07Å; R268-L271 PolarHBondContact O-N 3.45Å; K269-L271 VanDerWaalsContact C-N 3.31Å; K269-L271 PolarHBondContact O-N 2.97Å; L271-M299 HydrophobicContact CD2-CG 3.91Å; L271-M299 HydrophobicContact CD2-SD 4.13Å; L271-M299 VanDerWaalsContact O-CE 3.24Å; L271-M299 WeakPolarHBondContact O-CE 3.5Å; L271-M299 VanDerWaalsContact O-SD 3.4Å; L271-I307 HydrophobicContact CD2-CG2 4.33Å; L271-L310 HydrophobicContact CD2-CD1 4.04Å; L271-L310 HydrophobicContact CD2-CD2 3.7Å; L271-L310 HydrophobicContact CD2-CG 3.85Å; L271-L310 HydrophobicContact CG-CD1 4.26Å; L271-L310 HydrophobicContact CG-CD2 4.38Å
272	E	74.5	Confident	76.4	Confident	117 Å²	117	82.9 Å²	82.9	55%	0.547	41%	0.405	S	S	.	.	H	α-helix	trans	-79.5	-39.8	-178.9	-75.1	176.8	178.8	0	0	111.8	R268 K269	R268-E272 HydrophobicContact CG-CG 4.39Å; R268-E272 IonicContact CZ-OE1 3.26Å; R268-E272 IonicContact NE-OE1 3.88Å; R268-E272 PolarHBondContact NE-OE1 3.33Å; R268-E272 IonicContact NH2-OE1 3.56Å; R268-E272 PolarHBondContact NH2-OE1 3.32Å; R268-E272 VanDerWaalsContact NH2-OE1 3.14Å; R268-E272 WeakPolarHBondContact O-CB 3.29Å; R268-E272 WeakPolarHBondContact O-CG 3.49Å; R268-E272 PolarHBondContact O-N 3.05Å; K269-E272 PolarHBondContact O-N 3.18Å
273	T	69.8	Low	75.3	Confident	69 Å²	69	85.4 Å²	85.4	42%	0.423	41%	0.414	S	S	.	.			trans	-134.1	93.9	-179	-32.3	0	0	0	0	108.7	K269 E275	K269-T273 PolarHBondContact O-N 2.59Å; T273-E275 VanDerWaalsContact C-N 3.28Å; T273-E275 HydrophobicContact CG2-CG 3.69Å; T273-E275 PolarHBondContact O-N 2.96Å
274	P	65.1	Low	74	Confident	69 Å²	69	78.6 Å²	78.6	45%	0.448	39%	0.388	S	S	.	.			trans	-67.8	93.3	170.3	24.9	-28.5	0	0	0	108.1	F297	P274-F297 WeakPolarHBondContact CB-O 3.35Å
275	E	69.7	Low	72.9	Confident	100 Å²	100	80 Å²	80	47%	0.467	40%	0.4	S	S	.	.			trans	-99.6	151	173.4	-67.2	-176.9	164.6	0	0	109.4	T273	T273-E275 VanDerWaalsContact C-N 3.28Å; T273-E275 HydrophobicContact CG2-CG 3.69Å; T273-E275 PolarHBondContact O-N 2.96Å
276	E	80.9	Confident	71.4	Confident	144 Å²	144	80 Å²	80	67%	0.673	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	125.6	167.2	-53.2	-177.3	179.7	0	0	107.8	D296	E276-D296 WeakPolarHBondContact CG-OD1 3.16Å
277	I	84.1	Confident	70.2	Confident	7 Å²	7	83.2 Å²	83.2	4%	0.036	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.6	179.4	-57.5	179.4	0	0	0	108.9	L261 Y265 L270 I279 S295 F297	L261-I277 HydrophobicContact CD1-CD1 4.42Å; L261-I277 HydrophobicContact CD2-CG2 4.06Å; Y265-I277 HydrophobicContact CD1-CD1 3.8Å; Y265-I277 HydrophobicContact CD2-CD1 4.18Å; Y265-I277 HydrophobicContact CE1-CD1 3.55Å; Y265-I277 HydrophobicContact CE1-CG1 4.25Å; Y265-I277 HydrophobicContact CE2-CD1 3.96Å; Y265-I277 HydrophobicContact CE2-CG2 4.18Å; Y265-I277 HydrophobicContact CG-CD1 4.12Å; L270-I277 HydrophobicContact CD2-CD1 3.53Å; I277-I279 HydrophobicContact CG2-CG1 4.08Å; I277-S295 PolarHBondContact N-O 3.09Å; I277-S295 PolarHBondContact O-N 2.95Å; I277-F297 HydrophobicContact CB-CE2 4.17Å; I277-F297 HydrophobicContact CD1-CD2 4.2Å; I277-F297 HydrophobicContact CD1-CE2 3.65Å; I277-F297 HydrophobicContact CD1-CZ 4.31Å; I277-F297 HydrophobicContact CG1-CD2 4.43Å; I277-F297 HydrophobicContact CG1-CE2 4.02Å
278	L	83.5	Confident	69	Low	97 Å²	97	90.6 Å²	90.6	51%	0.508	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124	170.2	-69.3	169.4	0	0	0	109.3	T292 R294 V317	L278-T292 HydrophobicContact CD2-CG2 4.23Å; L278-R294 HydrophobicContact CD2-CB 3.9Å; L278-R294 HydrophobicContact CD2-CG 4.13Å; L278-V317 HydrophobicContact CD2-CG2 3.89Å
279	I	79.6	Confident	68.2	Low	14 Å²	14	86.6 Å²	86.6	7%	0.072	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.4	-179.6	-52.5	-180	0	0	0	107.6	L259 L261 I277 R281 L293 S295	L259-I279 HydrophobicContact CB-CD1 3.96Å; L259-I279 HydrophobicContact CD1-CD1 4.32Å; L259-I279 HydrophobicContact CD2-CD1 4.16Å; L259-I279 HydrophobicContact CG-CD1 4.38Å; L261-I279 HydrophobicContact CD1-CD1 4.28Å; L261-I279 HydrophobicContact CD2-CD1 4.11Å; L261-I279 HydrophobicContact CD2-CG1 4.23Å; L261-I279 HydrophobicContact CG-CD1 4.32Å; I277-I279 HydrophobicContact CG2-CG1 4.08Å; I279-R281 HydrophobicContact CG2-CG 4.23Å; I279-L293 HydrophobicContact CB-CB 4.5Å; I279-L293 PolarHBondContact N-O 3.01Å; I279-L293 PolarHBondContact O-N 3.21Å; I279-S295 VanDerWaalsContact CD1-OG 3.3Å; I279-S295 WeakPolarHBondContact CD1-OG 3.23Å
280	D	76.1	Confident	67.8	Low	83 Å²	83	88.2 Å²	88.2	44%	0.444	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	121.9	171.6	-160.9	-16.9	0	0	0	109.4	S282 R290	D280-S282 WeakPolarHBondContact OD1-CB 3.4Å; D280-S282 PolarHBondContact OD1-N 3.26Å; D280-S282 VanDerWaalsContact OD1-N 3.15Å; D280-S282 PolarHBondContact OD1-OG 2.95Å; D280-R290 IonicContact OD2-NH2 3.7Å
281	R	72.8	Confident	67.9	Low	51 Å²	51	89.8 Å²	89.8	19%	0.192	45%	0.452	C	S	.	.			trans	-109.6	17.6	-177.2	-79.7	-97.9	174	-147	-13.5	112.4	L258 L259 D260 I279 K283 M291 L293	L258-R281 PolarHBondContact O-NH2 3.36Å; L258-R281 VanDerWaalsContact O-NH2 3.09Å; L259-R281 VanDerWaalsContact CA-NH2 3.33Å; L259-R281 PolarHBondContact O-NH2 3.2Å; D260-R281 IonicContact OD2-CZ 3.06Å; D260-R281 IonicContact OD2-NH1 3.3Å; D260-R281 PolarHBondContact OD2-NH1 2.82Å; D260-R281 IonicContact OD2-NH2 2.93Å; D260-R281 PolarHBondContact OD2-NH2 2.99Å; I279-R281 HydrophobicContact CG2-CG 4.23Å; R281-K283 PolarHBondContact O-N 2.91Å; R281-K283 VanDerWaalsContact O-N 3.1Å; R281-M291 HydrophobicContact CB-CB 4.39Å; R281-M291 HydrophobicContact CB-CE 3.59Å; R281-M291 HydrophobicContact CG-CE 4.18Å; R281-M291 PolarHBondContact N-O 3.29Å; R281-L293 HydrophobicContact CG-CD1 3.86Å; R281-L293 HydrophobicContact CG-CG 4.3Å
282	S	62.8	Low	68.4	Low	48 Å²	48	88.8 Å²	88.8	34%	0.336	45%	0.448	S	S	.	.			trans	-57.7	114	176.5	62.3	0	0	0	0	111.5	D280 S284	D280-S282 WeakPolarHBondContact OD1-CB 3.4Å; D280-S282 PolarHBondContact OD1-N 3.26Å; D280-S282 VanDerWaalsContact OD1-N 3.15Å; D280-S282 PolarHBondContact OD1-OG 2.95Å; S282-S284 VanDerWaalsContact C-N 3.25Å
283	K	55.3	Low	69.2	Low	169 Å²	169	83.3 Å²	83.3	74%	0.735	42%	0.422	S	S	*	.	S	Bend	trans	-77.9	-11.7	173	-74.3	-178.9	178.5	169.4	0	112.8	N244 R281	N244-K283 PolarHBondContact ND2-NZ 2.88Å; R281-K283 PolarHBondContact O-N 2.91Å; R281-K283 VanDerWaalsContact O-N 3.1Å
284	S	47.8	Very low	70.2	Confident	53 Å²	53	83.3 Å²	83.3	37%	0.371	41%	0.414	S	S	.	.	S	Bend	trans	-153.4	155.2	-172.7	174.7	0	0	0	0	110	S282 S286	S282-S284 VanDerWaalsContact C-N 3.25Å; S284-S286 VanDerWaalsContact CB-OG 3.23Å; S284-S286 WeakPolarHBondContact CB-OG 3.47Å; S284-S286 PolarHBondContact O-N 3.2Å; S284-S286 PolarHBondContact OG-N 3.02Å; S284-S286 PolarHBondContact OG-OG 3.1Å
285	D	51.9	Low	71.4	Confident	171 Å²	171	80 Å²	80	91%	0.914	39%	0.393	S	S	*	.	S	Bend	trans	-69.2	-2.3	170.9	-75.8	-23.5	0	0	0	112.7
286	S	51.1	Low	72.4	Confident	45 Å²	45	77 Å²	77	32%	0.315	38%	0.38	S	S	.	.			trans	-71.1	128.2	175.2	42.4	0	0	0	0	111.3	S284 E288 D289	S284-S286 VanDerWaalsContact CB-OG 3.23Å; S284-S286 WeakPolarHBondContact CB-OG 3.47Å; S284-S286 PolarHBondContact O-N 3.2Å; S284-S286 PolarHBondContact OG-N 3.02Å; S284-S286 PolarHBondContact OG-OG 3.1Å; S286-E288 PolarHBondContact O-N 3.05Å; S286-E288 VanDerWaalsContact O-N 3.15Å; S286-D289 PolarHBondContact O-N 2.96Å; S286-D289 VanDerWaalsContact O-N 3.1Å; S286-D289 PolarHBondContact OG-OD2 3.44Å
287	E	55.4	Low	72.8	Confident	153 Å²	153	70.7 Å²	70.7	72%	0.715	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-57.2	-29.4	-180	-74.3	-164.7	160.2	0	0	113.7	D289 R290	E287-D289 PolarHBondContact O-N 3.39Å; E287-R290 PolarHBondContact O-N 2.99Å
288	E	56.8	Low	73	Confident	194 Å²	194	72.9 Å²	72.9	91%	0.907	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-68.9	-20.8	-179.7	-68.1	-176.1	164.5	0	0	113.6	S286	S286-E288 PolarHBondContact O-N 3.05Å; S286-E288 VanDerWaalsContact O-N 3.15Å
289	D	62	Low	73.3	Confident	93 Å²	93	71 Å²	71	50%	0.497	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-107.1	5.2	-178	-71.4	-38.8	0	0	0	112.9	S286 E287 M291	S286-D289 PolarHBondContact O-N 2.96Å; S286-D289 VanDerWaalsContact O-N 3.1Å; S286-D289 PolarHBondContact OG-OD2 3.44Å; E287-D289 PolarHBondContact O-N 3.39Å; D289-M291 PolarHBondContact O-N 3.05Å
290	R	69.9	Low	73.6	Confident	129 Å²	129	73.2 Å²	73.2	49%	0.487	37%	0.37	S	S	.	.			trans	-73.4	119.3	176.7	-67.5	-171.4	77.6	-174.6	2.3	108.6	D280 E287 T318	D280-R290 IonicContact OD2-NH2 3.7Å; E287-R290 PolarHBondContact O-N 2.99Å; R290-T318 WeakPolarHBondContact O-CG2 3.3Å
291	M	81.6	Confident	74.2	Confident	36 Å²	36	76.2 Å²	76.2	18%	0.177	38%	0.375	C	S	.	.			trans	-128.4	121.9	175.4	-179.1	176	61.9	0	0	108.6	L242 R281 D289 L293 T318	L242-M291 HydrophobicContact CD2-SD 4.2Å; L242-M291 WeakPolarHBondContact O-CE 3.5Å; R281-M291 HydrophobicContact CB-CB 4.39Å; R281-M291 HydrophobicContact CB-CE 3.59Å; R281-M291 HydrophobicContact CG-CE 4.18Å; R281-M291 PolarHBondContact N-O 3.29Å; D289-M291 PolarHBondContact O-N 3.05Å; M291-L293 HydrophobicContact CE-CD1 4.2Å; M291-L293 HydrophobicContact CE-CD2 4.39Å; M291-L293 HydrophobicContact CE-CG 4.38Å; M291-L293 HydrophobicContact CG-CD2 3.83Å; M291-L293 HydrophobicContact CG-CG 4.26Å; M291-L293 HydrophobicContact SD-CD2 3.95Å; M291-T318 WeakPolarHBondContact CA-OG1 3.5Å
292	T	86.3	Confident	74.8	Confident	23 Å²	23	80.8 Å²	80.8	14%	0.141	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.8	178	-52.3	0	0	0	0	109.2	L278 V317 T318 E321	L278-T292 HydrophobicContact CD2-CG2 4.23Å; T292-V317 HydrophobicContact CG2-CG2 4Å; T292-V317 VanDerWaalsContact O-CG2 3.32Å; T292-V317 WeakPolarHBondContact O-CG2 3.39Å; T292-V317 PolarHBondContact O-N 3.07Å; T292-T318 PolarHBondContact N-OG1 2.95Å; T292-E321 HydrophobicContact CG2-CG 4.21Å
293	L	90.1	Very high	75.8	Confident	1 Å²	1	88.6 Å²	88.6	1%	0.005	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.4	-179.2	-59.2	-176.9	0	0	0	110.5	L242 L243 I279 R281 M291 I314 H315 D316	L242-L293 HydrophobicContact CB-CD1 4.26Å; L242-L293 HydrophobicContact CB-CD2 4.37Å; L242-L293 HydrophobicContact CD1-CD2 4.36Å; L242-L293 HydrophobicContact CD2-CD2 4.05Å; L242-L293 HydrophobicContact CG-CD2 4.49Å; L243-L293 HydrophobicContact CD2-CD1 4.31Å; I279-L293 HydrophobicContact CB-CB 4.5Å; I279-L293 PolarHBondContact N-O 3.01Å; I279-L293 PolarHBondContact O-N 3.21Å; R281-L293 HydrophobicContact CG-CD1 3.86Å; R281-L293 HydrophobicContact CG-CG 4.3Å; M291-L293 HydrophobicContact CE-CD1 4.2Å; M291-L293 HydrophobicContact CE-CD2 4.39Å; M291-L293 HydrophobicContact CE-CG 4.38Å; M291-L293 HydrophobicContact CG-CD2 3.83Å; M291-L293 HydrophobicContact CG-CG 4.26Å; M291-L293 HydrophobicContact SD-CD2 3.95Å; L293-I314 HydrophobicContact CB-CG2 3.85Å; L293-I314 HydrophobicContact CD1-CG2 3.86Å; L293-I314 HydrophobicContact CD2-CG2 4.16Å; L293-I314 HydrophobicContact CG-CG2 4.18Å; L293-H315 CarbonylContact C-O 3.47Å; L293-H315 VanDerWaalsContact CA-O 3.32Å; L293-H315 WeakPolarHBondContact CA-O 3.48Å; L293-D316 HydrophobicContact CD2-CB 4.32Å
294	R	91.2	Very high	77.2	Confident	70 Å²	70	84.3 Å²	84.3	26%	0.264	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119.2	168.6	-172.2	179.4	69.1	-140.5	-6.8	109.6	L278 D296 I314 H315 V317	L278-R294 HydrophobicContact CD2-CB 3.9Å; L278-R294 HydrophobicContact CD2-CG 4.13Å; R294-D296 IonicContact NE-OD1 3.87Å; R294-D296 IonicContact NE-OD2 2.8Å; R294-I314 CarbonylContact O-C 3.54Å; R294-I314 WeakPolarHBondContact O-CA 3.42Å; R294-H315 HydrophobicContact CB-CB 4.46Å; R294-H315 PolarHBondContact N-O 2.89Å; R294-H315 PolarHBondContact O-N 3Å; R294-V317 HydrophobicContact CB-CG1 3.85Å; R294-V317 HydrophobicContact CB-CG2 4.02Å
295	S	90.7	Very high	78.9	Confident	0 Å²	0	83.8 Å²	83.8	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.5	179.8	-61.3	0	0	0	0	111.2	I277 I279 V313	I277-S295 PolarHBondContact N-O 3.09Å; I277-S295 PolarHBondContact O-N 2.95Å; I279-S295 VanDerWaalsContact CD1-OG 3.3Å; I279-S295 WeakPolarHBondContact CD1-OG 3.23Å; S295-V313 CarbonylContact C-O 3.42Å; S295-V313 WeakPolarHBondContact CA-O 3.3Å
296	D	90.6	Very high	80.5	Confident	37 Å²	37	83 Å²	83	20%	0.198	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119	-179.6	-59.9	-34.9	0	0	0	109.9	E276 R294 V312 V313 H315	E276-D296 WeakPolarHBondContact CG-OD1 3.16Å; R294-D296 IonicContact NE-OD1 3.87Å; R294-D296 IonicContact NE-OD2 2.8Å; D296-V312 WeakPolarHBondContact O-CA 3.36Å; D296-V313 PolarHBondContact N-O 2.8Å; D296-V313 PolarHBondContact O-N 2.84Å; D296-H315 IonicContact OD2-CE1 3.16Å; D296-H315 PolarHBondContact OD2-CE1 3.24Å; D296-H315 IonicContact OD2-ND1 3.83Å; D296-H315 PolarHBondContact OD2-ND1 3.41Å
297	F	89.5	Confident	82	Confident	11 Å²	11	83.9 Å²	83.9	5%	0.048	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128.7	-175.5	-65	-97.8	0	0	0	111.2	I255 L259 L261 L270 P274 I277 V312	I255-F297 HydrophobicContact CG1-CE1 4.47Å; L259-F297 HydrophobicContact CD1-CE1 4.07Å; L259-F297 HydrophobicContact CD1-CZ 3.7Å; L261-F297 HydrophobicContact CD1-CZ 3.8Å; L270-F297 HydrophobicContact CD1-CD1 4.18Å; L270-F297 HydrophobicContact CD1-CE1 3.87Å; L270-F297 HydrophobicContact CD1-CZ 4.39Å; L270-F297 HydrophobicContact CD2-CD1 4.23Å; L270-F297 HydrophobicContact CD2-CD2 4.2Å; L270-F297 HydrophobicContact CD2-CE1 4.22Å; L270-F297 HydrophobicContact CD2-CE2 4.2Å; L270-F297 HydrophobicContact CD2-CG 4.23Å; L270-F297 HydrophobicContact CD2-CZ 4.21Å; P274-F297 WeakPolarHBondContact CB-O 3.35Å; I277-F297 HydrophobicContact CB-CE2 4.17Å; I277-F297 HydrophobicContact CD1-CD2 4.2Å; I277-F297 HydrophobicContact CD1-CE2 3.65Å; I277-F297 HydrophobicContact CD1-CZ 4.31Å; I277-F297 HydrophobicContact CG1-CD2 4.43Å; I277-F297 HydrophobicContact CG1-CE2 4.02Å; F297-V312 HydrophobicContact CD1-CB 4.39Å; F297-V312 HydrophobicContact CD1-CG1 4.17Å; F297-V312 HydrophobicContact CD1-CG2 3.48Å; F297-V312 VanDerWaalsContact CD1-CG2 3.48Å; F297-V312 HydrophobicContact CE1-CB 4.34Å; F297-V312 HydrophobicContact CE1-CG1 3.88Å; F297-V312 HydrophobicContact CE1-CG2 3.47Å; F297-V312 VanDerWaalsContact CE1-CG2 3.47Å; F297-V312 HydrophobicContact CE2-CG1 4.36Å; F297-V312 HydrophobicContact CG-CG2 4.41Å; F297-V312 HydrophobicContact CZ-CG1 3.98Å; F297-V312 HydrophobicContact CZ-CG2 4.38Å
298	A	88.5	Confident	83.5	Confident	53 Å²	53	78.3 Å²	78.3	44%	0.438	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.8	177.1	0	0	0	0	0	111.6	L310 V311	A298-L310 CarbonylContact O-C 3.59Å; A298-L310 WeakPolarHBondContact O-CA 3.47Å; A298-V311 PolarHBondContact N-O 3.4Å; A298-V311 PolarHBondContact O-N 3.14Å
299	M	88.8	Confident	85	Confident	57 Å²	57	69.1 Å²	69.1	28%	0.281	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	130.4	177.1	-76.6	-177.5	-84.8	0	0	112.2	L271 I307 L310	L271-M299 HydrophobicContact CD2-CG 3.91Å; L271-M299 HydrophobicContact CD2-SD 4.13Å; L271-M299 VanDerWaalsContact O-CE 3.24Å; L271-M299 WeakPolarHBondContact O-CE 3.5Å; L271-M299 VanDerWaalsContact O-SD 3.4Å; M299-I307 HydrophobicContact SD-CD1 3.98Å; M299-I307 HydrophobicContact SD-CG1 4.48Å; M299-L310 HydrophobicContact CG-CD2 4.05Å
300	I	86.6	Confident	86.4	Confident	60 Å²	60	64.9 Å²	64.9	31%	0.308	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	115.3	169.3	-49.6	174.6	0	0	0	108.6	I307 S308 G309 V311	I300-I307 CarbonylContact O-C 3.58Å; I300-I307 WeakPolarHBondContact O-CA 3.36Å; I300-S308 PolarHBondContact O-N 3.13Å; I300-G309 PolarHBondContact N-O 2.93Å; I300-V311 HydrophobicContact CD1-CG2 3.51Å; I300-V311 HydrophobicContact CG1-CG2 3.56Å
301	R	87.7	Confident	87.4	Confident	147 Å²	147	60.6 Å²	60.6	56%	0.555	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	135	174.3	-64.2	178.6	-175.1	-104.7	-0	109.9	F306	R301-F306 WeakPolarHBondContact CA-O 3.23Å
302	R	85.4	Confident	87.9	Confident	147 Å²	147	58.9 Å²	58.9	56%	0.555	30%	0.3	S	S	*	.			trans	-73	163	168.5	-61.9	-172.8	179.6	-170.1	-5	109.6	S304 G305 F306 S308	R302-S304 PolarHBondContact O-N 3.23Å; R302-S304 VanDerWaalsContact O-N 3.08Å; R302-G305 WeakPolarHBondContact O-CA 3.25Å; R302-G305 PolarHBondContact O-N 3.16Å; R302-F306 PolarHBondContact N-O 3.29Å; R302-S308 PolarHBondContact NE-OG 2.85Å
303	E	85.4	Confident	88.2	Confident	212 Å²	212	59.6 Å²	59.6	99%	0.991	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-29.5	174.5	-67.7	-175.5	161.8	0	0	113.1	G305	E303-G305 PolarHBondContact O-N 2.92Å
304	S	84.9	Confident	88.3	Confident	78 Å²	78	59.6 Å²	59.6	55%	0.545	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-2.7	175.3	69	0	0	0	0	114.5	R302 F306	R302-S304 PolarHBondContact O-N 3.23Å; R302-S304 VanDerWaalsContact O-N 3.08Å; S304-F306 VanDerWaalsContact C-N 3.32Å; S304-F306 PolarHBondContact O-N 3.03Å; S304-F306 WeakPolarHBondContact OG-CD2 3.39Å
305	G	81.9	Confident	88.3	Confident	43 Å²	43	57.9 Å²	57.9	44%	0.443	30%	0.299	S	S	.	.	S	Bend	trans	84	-6	-176.8	0	0	0	0	0	115.5	R302 E303	R302-G305 WeakPolarHBondContact O-CA 3.25Å; R302-G305 PolarHBondContact O-N 3.16Å; E303-G305 PolarHBondContact O-N 2.92Å
306	F	85.6	Confident	88.3	Confident	153 Å²	153	62.1 Å²	62.1	67%	0.671	32%	0.322	S	S	*	.			trans	-74.8	138.5	177.6	-67.8	-62	0	0	0	111.3	R301 R302 S304 S308	R301-F306 WeakPolarHBondContact CA-O 3.23Å; R302-F306 PolarHBondContact N-O 3.29Å; S304-F306 VanDerWaalsContact C-N 3.32Å; S304-F306 PolarHBondContact O-N 3.03Å; S304-F306 WeakPolarHBondContact OG-CD2 3.39Å; F306-S308 PolarHBondContact O-N 3.35Å
307	I	83.9	Confident	88.3	Confident	64 Å²	64	60.5 Å²	60.5	33%	0.328	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	121.5	175.2	-59.6	168.6	0	0	0	108.7	L271 M299 I300	L271-I307 HydrophobicContact CD2-CG2 4.33Å; M299-I307 HydrophobicContact SD-CD1 3.98Å; M299-I307 HydrophobicContact SD-CG1 4.48Å; I300-I307 CarbonylContact O-C 3.58Å; I300-I307 WeakPolarHBondContact O-CA 3.36Å
308	S	85.7	Confident	88.1	Confident	36 Å²	36	61.3 Å²	61.3	25%	0.252	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-33	175.1	-151.9	0	0	0	0	111.4	D227 R228 I300 R302 F306	D227-S308 CarbonylContact C-O 3.6Å; R228-S308 PolarHBondContact N-O 3.13Å; R228-S308 VanDerWaalsContact N-O 3.09Å; I300-S308 PolarHBondContact O-N 3.13Å; R302-S308 PolarHBondContact NE-OG 2.85Å; F306-S308 PolarHBondContact O-N 3.35Å
309	G	89.5	Confident	87.9	Confident	2 Å²	2	65 Å²	65	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166	-159.1	-179.6	0	0	0	0	0	112.4	T226 D227 I300	T226-G309 WeakPolarHBondContact O-CA 3.38Å; D227-G309 WeakPolarHBondContact O-CA 3.33Å; I300-G309 PolarHBondContact N-O 2.93Å
310	L	89.9	Confident	87.7	Confident	3 Å²	3	68 Å²	68	2%	0.016	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	143.3	176.2	-65.9	147	0	0	0	110.6	A225 T226 L267 L271 A298 M299	A225-L310 CarbonylContact C-O 3.49Å; A225-L310 WeakPolarHBondContact CA-O 3.36Å; T226-L310 PolarHBondContact N-O 3.08Å; T226-L310 WeakPolarHBondContact OG1-CA 3.31Å; T226-L310 WeakPolarHBondContact OG1-CB 3.43Å; T226-L310 PolarHBondContact OG1-N 3.41Å; T226-L310 PolarHBondContact OG1-O 3.31Å; L267-L310 HydrophobicContact CD1-CD1 3.57Å; L271-L310 HydrophobicContact CD2-CD1 4.04Å; L271-L310 HydrophobicContact CD2-CD2 3.7Å; L271-L310 HydrophobicContact CD2-CG 3.85Å; L271-L310 HydrophobicContact CG-CD1 4.26Å; L271-L310 HydrophobicContact CG-CD2 4.38Å; A298-L310 CarbonylContact O-C 3.59Å; A298-L310 WeakPolarHBondContact O-CA 3.47Å; M299-L310 HydrophobicContact CG-CD2 4.05Å
311	V	91.9	Very high	87.6	Confident	39 Å²	39	68 Å²	68	24%	0.236	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.6	158.8	175.9	0	0	0	0	107.8	V223 I224 A298 I300 V313	V223-V311 HydrophobicContact CG1-CG1 4.15Å; I224-V311 CarbonylContact O-C 3.59Å; I224-V311 VanDerWaalsContact O-CA 3.3Å; I224-V311 WeakPolarHBondContact O-CA 3.32Å; A298-V311 PolarHBondContact N-O 3.4Å; A298-V311 PolarHBondContact O-N 3.14Å; I300-V311 HydrophobicContact CD1-CG2 3.51Å; I300-V311 HydrophobicContact CG1-CG2 3.56Å; V311-V313 HydrophobicContact CG1-CG2 4.16Å
312	V	91.7	Very high	87.2	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.006	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.7	169.8	-169.3	0	0	0	0	107.9	V223 I224 I255 L259 D296 F297 I314	V223-V312 WeakPolarHBondContact CA-O 3.14Å; I224-V312 HydrophobicContact CB-CB 4.32Å; I224-V312 PolarHBondContact N-O 2.95Å; I224-V312 PolarHBondContact O-N 2.83Å; I255-V312 HydrophobicContact CD1-CG2 3.98Å; I255-V312 HydrophobicContact CG1-CG2 3.95Å; L259-V312 HydrophobicContact CD1-CG1 4.14Å; D296-V312 WeakPolarHBondContact O-CA 3.36Å; F297-V312 HydrophobicContact CD1-CB 4.39Å; F297-V312 HydrophobicContact CD1-CG1 4.17Å; F297-V312 HydrophobicContact CD1-CG2 3.48Å; F297-V312 VanDerWaalsContact CD1-CG2 3.48Å; F297-V312 HydrophobicContact CE1-CB 4.34Å; F297-V312 HydrophobicContact CE1-CG1 3.88Å; F297-V312 HydrophobicContact CE1-CG2 3.47Å; F297-V312 VanDerWaalsContact CE1-CG2 3.47Å; F297-V312 HydrophobicContact CE2-CG1 4.36Å; F297-V312 HydrophobicContact CG-CG2 4.41Å; F297-V312 HydrophobicContact CZ-CG1 3.98Å; F297-V312 HydrophobicContact CZ-CG2 4.38Å; V312-I314 HydrophobicContact CG1-CG1 4.23Å
313	V	93.3	Very high	87	Confident	38 Å²	38	62.4 Å²	62.4	23%	0.23	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.1	172.2	-172.4	0	0	0	0	108.4	D221 G222 S295 D296 V311 H315	D221-V313 HydrophobicContact CB-CG1 3.91Å; G222-V313 CarbonylContact O-C 3.6Å; G222-V313 VanDerWaalsContact O-CA 3.29Å; G222-V313 WeakPolarHBondContact O-CA 3.49Å; S295-V313 CarbonylContact C-O 3.42Å; S295-V313 WeakPolarHBondContact CA-O 3.3Å; D296-V313 PolarHBondContact N-O 2.8Å; D296-V313 PolarHBondContact O-N 2.84Å; V311-V313 HydrophobicContact CG1-CG2 4.16Å; V313-H315 VanDerWaalsContact CG1-CE1 3.41Å; V313-H315 WeakPolarHBondContact CG1-CE1 3.32Å
314	I	92.4	Very high	86.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.9	-174.5	-54.1	178	0	0	0	108.1	G222 I224 L242 L243 L259 L293 R294 V312	G222-I314 PolarHBondContact N-O 2.85Å; G222-I314 PolarHBondContact O-N 2.97Å; I224-I314 HydrophobicContact CD1-CD1 3.59Å; I224-I314 HydrophobicContact CG1-CD1 4.26Å; L242-I314 HydrophobicContact CD1-CB 4.45Å; L242-I314 HydrophobicContact CD1-CG2 3.99Å; L243-I314 HydrophobicContact CD1-CD1 4.05Å; L243-I314 HydrophobicContact CD2-CD1 4.33Å; L243-I314 HydrophobicContact CG-CD1 4.3Å; L259-I314 HydrophobicContact CD2-CD1 3.86Å; L293-I314 HydrophobicContact CB-CG2 3.85Å; L293-I314 HydrophobicContact CD1-CG2 3.86Å; L293-I314 HydrophobicContact CD2-CG2 4.16Å; L293-I314 HydrophobicContact CG-CG2 4.18Å; R294-I314 CarbonylContact O-C 3.54Å; R294-I314 WeakPolarHBondContact O-CA 3.42Å; V312-I314 HydrophobicContact CG1-CG1 4.23Å
315	H	91.4	Very high	86.7	Confident	35 Å²	35	54.7 Å²	54.7	16%	0.162	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.4	177.3	-53.4	82.4	0	0	0	109.6	D221 L293 R294 D296 V313 V317	D221-H315 IonicContact OD1-CD2 2.65Å; D221-H315 PolarHBondContact OD1-CD2 2.83Å; D221-H315 IonicContact OD2-CD2 2.7Å; D221-H315 PolarHBondContact OD2-CD2 2.9Å; D221-H315 IonicContact OD2-NE2 3.6Å; D221-H315 PolarHBondContact OD2-NE2 3.45Å; L293-H315 CarbonylContact C-O 3.47Å; L293-H315 VanDerWaalsContact CA-O 3.32Å; L293-H315 WeakPolarHBondContact CA-O 3.48Å; R294-H315 HydrophobicContact CB-CB 4.46Å; R294-H315 PolarHBondContact N-O 2.89Å; R294-H315 PolarHBondContact O-N 3Å; D296-H315 IonicContact OD2-CE1 3.16Å; D296-H315 PolarHBondContact OD2-CE1 3.24Å; D296-H315 IonicContact OD2-ND1 3.83Å; D296-H315 PolarHBondContact OD2-ND1 3.41Å; V313-H315 VanDerWaalsContact CG1-CE1 3.41Å; V313-H315 WeakPolarHBondContact CG1-CE1 3.32Å; H315-V317 HydrophobicContact CB-CG1 4.12Å; H315-V317 PolarHBondContact O-N 3.2Å
316	D	90.1	Very high	86.4	Confident	88 Å²	88	57.8 Å²	57.8	47%	0.471	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	112.4	166.3	-174.8	-6.3	0	0	0	109.1	L242 L293 T318	L242-D316 HydrophobicContact CD2-CB 4.22Å; L293-D316 HydrophobicContact CD2-CB 4.32Å; D316-T318 VanDerWaalsContact OD1-CB 3.24Å; D316-T318 WeakPolarHBondContact OD1-CB 3.36Å; D316-T318 PolarHBondContact OD1-N 3.45Å; D316-T318 PolarHBondContact OD1-OG1 2.75Å
317	V	89.5	Confident	86.1	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.024	30%	0.295	C	S	.	.			trans	-114.3	17.2	-178.4	-61.3	0	0	0	0	111.9	L278 T292 R294 H315 E319 Q320 E321	L278-V317 HydrophobicContact CD2-CG2 3.89Å; T292-V317 HydrophobicContact CG2-CG2 4Å; T292-V317 VanDerWaalsContact O-CG2 3.32Å; T292-V317 WeakPolarHBondContact O-CG2 3.39Å; T292-V317 PolarHBondContact O-N 3.07Å; R294-V317 HydrophobicContact CB-CG1 3.85Å; R294-V317 HydrophobicContact CB-CG2 4.02Å; H315-V317 HydrophobicContact CB-CG1 4.12Å; H315-V317 PolarHBondContact O-N 3.2Å; V317-E319 PolarHBondContact O-N 3.14Å; V317-Q320 HydrophobicContact CB-CB 4.48Å; V317-Q320 WeakPolarHBondContact O-CB 3.46Å; V317-Q320 PolarHBondContact O-N 2.94Å; V317-Q320 VanDerWaalsContact O-N 3.14Å; V317-E321 HydrophobicContact CG2-CG 4.21Å; V317-E321 PolarHBondContact O-N 2.81Å
318	T	86.6	Confident	86	Confident	28 Å²	28	62.4 Å²	62.4	17%	0.172	30%	0.302	C	S	.	.	H	α-helix	trans	-55.1	-53.3	-173.9	-55.3	0	0	0	0	112.8	R290 M291 T292 D316 Q320 E321 K322	R290-T318 WeakPolarHBondContact O-CG2 3.3Å; M291-T318 WeakPolarHBondContact CA-OG1 3.5Å; T292-T318 PolarHBondContact N-OG1 2.95Å; D316-T318 VanDerWaalsContact OD1-CB 3.24Å; D316-T318 WeakPolarHBondContact OD1-CB 3.36Å; D316-T318 PolarHBondContact OD1-N 3.45Å; D316-T318 PolarHBondContact OD1-OG1 2.75Å; T318-Q320 VanDerWaalsContact C-N 3.29Å; T318-Q320 PolarHBondContact O-N 3.09Å; T318-E321 PolarHBondContact O-N 2.93Å; T318-K322 WeakPolarHBondContact O-CB 3.38Å; T318-K322 PolarHBondContact O-N 3.3Å
319	E	83.3	Confident	85.7	Confident	131 Å²	131	65.8 Å²	65.8	61%	0.612	32%	0.315	S	S	*	.	H	α-helix	trans	-64.4	-34.4	179.2	-76	-65.4	130.8	0	0	112.6	V317 T323	V317-E319 PolarHBondContact O-N 3.14Å; E319-T323 WeakPolarHBondContact O-CB 3.28Å; E319-T323 PolarHBondContact O-N 2.77Å; E319-T323 PolarHBondContact O-OG1 3.34Å
320	Q	85.9	Confident	85.2	Confident	120 Å²	120	67.4 Å²	67.4	56%	0.561	32%	0.321	S	S	*	.	H	α-helix	trans	-69.4	-45.9	179.3	-64.1	174.1	-12.7	0	0	110.8	V317 T318 T323 A324	V317-Q320 HydrophobicContact CB-CB 4.48Å; V317-Q320 WeakPolarHBondContact O-CB 3.46Å; V317-Q320 PolarHBondContact O-N 2.94Å; V317-Q320 VanDerWaalsContact O-N 3.14Å; T318-Q320 VanDerWaalsContact C-N 3.29Å; T318-Q320 PolarHBondContact O-N 3.09Å; Q320-T323 PolarHBondContact O-N 3.16Å; Q320-A324 VanDerWaalsContact O-CB 3.27Å; Q320-A324 WeakPolarHBondContact O-CB 3.31Å; Q320-A324 PolarHBondContact O-N 2.86Å
321	E	84.1	Confident	84.9	Confident	58 Å²	58	71.1 Å²	71.1	27%	0.271	34%	0.343	S	S	.	.	H	α-helix	trans	-67.7	-39.1	176.1	-78.9	-57.4	135.2	0	0	111.7	T292 V317 T318 A324 E325 R328	T292-E321 HydrophobicContact CG2-CG 4.21Å; V317-E321 HydrophobicContact CG2-CG 4.21Å; V317-E321 PolarHBondContact O-N 2.81Å; T318-E321 PolarHBondContact O-N 2.93Å; E321-A324 PolarHBondContact O-N 2.76Å; E321-E325 WeakPolarHBondContact O-CB 3.48Å; E321-E325 PolarHBondContact O-N 2.91Å; E321-R328 IonicContact OE2-NH2 3.4Å; E321-R328 PolarHBondContact OE2-NH2 3.08Å; E321-R328 VanDerWaalsContact OE2-NH2 3.14Å
322	K	79.7	Confident	84.5	Confident	95 Å²	95	72.9 Å²	72.9	41%	0.413	36%	0.357	S	S	.	.	H	α-helix	trans	-58.9	-50.4	173.6	-175.6	178.5	179.8	177.2	0	111.3	T318 A324 E325 E326	T318-K322 WeakPolarHBondContact O-CB 3.38Å; T318-K322 PolarHBondContact O-N 3.3Å; K322-A324 VanDerWaalsContact C-N 3.31Å; K322-A324 PolarHBondContact O-N 3.26Å; K322-E325 PolarHBondContact O-N 3.44Å; K322-E326 VanDerWaalsContact CE-OE1 3.3Å; K322-E326 WeakPolarHBondContact CE-OE1 3.38Å; K322-E326 WeakPolarHBondContact O-CB 3.24Å; K322-E326 WeakPolarHBondContact O-CG 3.48Å; K322-E326 PolarHBondContact O-N 3.3Å
323	T	80.9	Confident	84	Confident	82 Å²	82	75.3 Å²	75.3	50%	0.503	37%	0.37	S	S	.	.	H	α-helix	trans	-61.2	-41.2	176.9	-57.9	0	0	0	0	111.6	E319 Q320 R327	E319-T323 WeakPolarHBondContact O-CB 3.28Å; E319-T323 PolarHBondContact O-N 2.77Å; E319-T323 PolarHBondContact O-OG1 3.34Å; Q320-T323 PolarHBondContact O-N 3.16Å; T323-R327 VanDerWaalsContact O-CB 3.31Å; T323-R327 WeakPolarHBondContact O-CB 3.4Å; T323-R327 PolarHBondContact O-N 2.96Å
324	A	82.2	Confident	83.5	Confident	32 Å²	32	74.6 Å²	74.6	26%	0.264	37%	0.366	S	S	.	.	H	α-helix	trans	-64.8	-41.6	177.9	0	0	0	0	0	111.7	Q320 E321 K322 R327 R328	Q320-A324 VanDerWaalsContact O-CB 3.27Å; Q320-A324 WeakPolarHBondContact O-CB 3.31Å; Q320-A324 PolarHBondContact O-N 2.86Å; E321-A324 PolarHBondContact O-N 2.76Å; K322-A324 VanDerWaalsContact C-N 3.31Å; K322-A324 PolarHBondContact O-N 3.26Å; A324-R327 PolarHBondContact O-N 3.41Å; A324-R328 VanDerWaalsContact O-CG 3.31Å; A324-R328 WeakPolarHBondContact O-CG 3.43Å; A324-R328 PolarHBondContact O-N 3.47Å
325	E	80.2	Confident	83.2	Confident	96 Å²	96	77.4 Å²	77.4	45%	0.449	39%	0.386	S	S	.	.	H	α-helix	trans	-67.7	-46.3	177.7	-172.4	58.1	-158.4	0	0	111.6	E321 K322 R327 R328 Q329	E321-E325 WeakPolarHBondContact O-CB 3.48Å; E321-E325 PolarHBondContact O-N 2.91Å; K322-E325 PolarHBondContact O-N 3.44Å; E325-R327 PolarHBondContact O-N 3.06Å; E325-R328 PolarHBondContact O-N 3.36Å; E325-R328 VanDerWaalsContact O-N 3.1Å; E325-R328 IonicContact OE2-CZ 3.88Å; E325-R328 IonicContact OE2-NE 3.68Å; E325-R328 IonicContact OE2-NH1 2.75Å; E325-R328 PolarHBondContact OE2-NH1 3.39Å; E325-Q329 WeakPolarHBondContact O-CB 3.31Å; E325-Q329 PolarHBondContact O-N 2.92Å
326	E	76.1	Confident	82.8	Confident	108 Å²	108	80.8 Å²	80.8	51%	0.505	40%	0.401	S	S	.	.	H	α-helix	trans	-56.3	-40.4	173.6	-74.2	178.1	-172.8	0	0	111.3	K322 F330	K322-E326 VanDerWaalsContact CE-OE1 3.3Å; K322-E326 WeakPolarHBondContact CE-OE1 3.38Å; K322-E326 WeakPolarHBondContact O-CB 3.24Å; K322-E326 WeakPolarHBondContact O-CG 3.48Å; K322-E326 PolarHBondContact O-N 3.3Å; E326-F330 VanDerWaalsContact O-CB 3.26Å; E326-F330 WeakPolarHBondContact O-CB 3.37Å; E326-F330 PolarHBondContact O-N 3.38Å
327	R	79	Confident	82.3	Confident	186 Å²	186	77.9 Å²	77.9	70%	0.702	39%	0.385	S	S	*	.	H	α-helix	trans	-67.8	-42.5	175.5	-172	177.4	-178.6	176.9	2	112.6	T323 A324 E325 F330 V331	T323-R327 VanDerWaalsContact O-CB 3.31Å; T323-R327 WeakPolarHBondContact O-CB 3.4Å; T323-R327 PolarHBondContact O-N 2.96Å; A324-R327 PolarHBondContact O-N 3.41Å; E325-R327 PolarHBondContact O-N 3.06Å; R327-F330 PolarHBondContact O-N 2.81Å; R327-V331 WeakPolarHBondContact O-CG2 3.41Å; R327-V331 PolarHBondContact O-N 2.88Å
328	R	81.6	Confident	82.2	Confident	128 Å²	128	79.8 Å²	79.8	48%	0.483	40%	0.395	S	S	.	.	H	α-helix	trans	-61.5	-46.2	175	-74	175.4	-139.5	148	1.1	110.4	E321 A324 E325 F330 V331 S332	E321-R328 IonicContact OE2-NH2 3.4Å; E321-R328 PolarHBondContact OE2-NH2 3.08Å; E321-R328 VanDerWaalsContact OE2-NH2 3.14Å; A324-R328 VanDerWaalsContact O-CG 3.31Å; A324-R328 WeakPolarHBondContact O-CG 3.43Å; A324-R328 PolarHBondContact O-N 3.47Å; E325-R328 PolarHBondContact O-N 3.36Å; E325-R328 VanDerWaalsContact O-N 3.1Å; E325-R328 IonicContact OE2-CZ 3.88Å; E325-R328 IonicContact OE2-NE 3.68Å; E325-R328 IonicContact OE2-NH1 2.75Å; E325-R328 PolarHBondContact OE2-NH1 3.39Å; R328-F330 VanDerWaalsContact C-N 3.34Å; R328-F330 PolarHBondContact O-N 3.17Å; R328-V331 PolarHBondContact O-N 3.42Å; R328-S332 WeakPolarHBondContact O-CB 3.11Å; R328-S332 PolarHBondContact O-N 2.96Å
329	Q	79.5	Confident	82.2	Confident	108 Å²	108	86.5 Å²	86.5	51%	0.505	42%	0.417	S	S	.	.	H	α-helix	trans	-62.7	-41.4	177.6	-169.2	177.7	7.8	0	0	111.2	E325 S332 N333	E325-Q329 WeakPolarHBondContact O-CB 3.31Å; E325-Q329 PolarHBondContact O-N 2.92Å; Q329-S332 PolarHBondContact O-N 2.92Å; Q329-N333 WeakPolarHBondContact O-CB 3.21Å; Q329-N333 PolarHBondContact O-N 2.9Å; Q329-N333 PolarHBondContact O-ND2 3Å
330	F	80.5	Confident	82.3	Confident	36 Å²	36	82.9 Å²	82.9	16%	0.158	40%	0.404	C	S	.	.	H	α-helix	trans	-58.8	-51	174.1	174.1	-107.1	0	0	0	112.1	E326 R327 R328 S332 N333 V334 L384 L387 F501	E326-F330 VanDerWaalsContact O-CB 3.26Å; E326-F330 WeakPolarHBondContact O-CB 3.37Å; E326-F330 PolarHBondContact O-N 3.38Å; R327-F330 PolarHBondContact O-N 2.81Å; R328-F330 VanDerWaalsContact C-N 3.34Å; R328-F330 PolarHBondContact O-N 3.17Å; F330-S332 VanDerWaalsContact C-N 3.3Å; F330-S332 PolarHBondContact O-N 3.42Å; F330-N333 PolarHBondContact O-N 2.93Å; F330-V334 HydrophobicContact CD1-CG2 4.31Å; F330-V334 HydrophobicContact CD2-CG2 4.13Å; F330-V334 HydrophobicContact CE1-CG2 4.02Å; F330-V334 HydrophobicContact CE2-CG2 3.82Å; F330-V334 HydrophobicContact CG-CG2 4.38Å; F330-V334 HydrophobicContact CZ-CG2 3.79Å; F330-V334 WeakPolarHBondContact O-CB 3.25Å; F330-V334 WeakPolarHBondContact O-CG2 3.32Å; F330-V334 PolarHBondContact O-N 3.35Å; F330-L384 HydrophobicContact CE2-CD2 3.59Å; F330-L384 HydrophobicContact CZ-CD2 3.47Å; F330-L384 VanDerWaalsContact CZ-CD2 3.47Å; F330-L387 HydrophobicContact CE2-CD2 3.73Å; F330-L387 HydrophobicContact CZ-CD2 4.12Å; F330-F501 AromaticContact CD2-CE2 3.91Å; F330-F501 HydrophobicContact CD2-CE2 3.91Å; F330-F501 AromaticContact CE2-CE2 3.95Å; F330-F501 HydrophobicContact CE2-CE2 3.95Å
331	V	83.8	Confident	82.3	Confident	80 Å²	80	77.2 Å²	77.2	49%	0.485	38%	0.378	S	S	.	.	H	α-helix	trans	-61.9	-39.8	178.9	174.5	0	0	0	0	111.4	R327 R328 S335	R327-V331 WeakPolarHBondContact O-CG2 3.41Å; R327-V331 PolarHBondContact O-N 2.88Å; R328-V331 PolarHBondContact O-N 3.42Å; V331-S335 WeakPolarHBondContact O-CB 3.32Å; V331-S335 PolarHBondContact O-N 3.08Å; V331-S335 PolarHBondContact O-OG 3.23Å
332	S	83	Confident	82.6	Confident	76 Å²	76	79.4 Å²	79.4	53%	0.531	39%	0.391	S	S	.	.	H	α-helix	trans	-61.8	-47.7	175.2	-172.2	0	0	0	0	111.7	R328 Q329 F330 S335 H336	R328-S332 WeakPolarHBondContact O-CB 3.11Å; R328-S332 PolarHBondContact O-N 2.96Å; Q329-S332 PolarHBondContact O-N 2.92Å; F330-S332 VanDerWaalsContact C-N 3.3Å; F330-S332 PolarHBondContact O-N 3.42Å; S332-S335 WeakPolarHBondContact O-CB 2.96Å; S332-S335 PolarHBondContact O-N 3.44Å; S332-H336 PolarHBondContact O-N 2.9Å
333	N	80.7	Confident	83.2	Confident	52 Å²	52	77.4 Å²	77.4	28%	0.278	39%	0.387	S	S	.	.	H	α-helix	trans	-64.2	-44.9	179.2	-71.7	-15.9	0	0	0	112	Q329 F330 S335 H336 E337 F501	Q329-N333 WeakPolarHBondContact O-CB 3.21Å; Q329-N333 PolarHBondContact O-N 2.9Å; Q329-N333 PolarHBondContact O-ND2 3Å; F330-N333 PolarHBondContact O-N 2.93Å; N333-S335 VanDerWaalsContact C-N 3.3Å; N333-S335 PolarHBondContact O-N 2.98Å; N333-H336 PolarHBondContact O-N 2.8Å; N333-E337 WeakPolarHBondContact O-CB 3.31Å; N333-E337 PolarHBondContact O-N 3.39Å; N333-F501 HydrophobicContact CB-CD2 3.58Å; N333-F501 HydrophobicContact CB-CE2 3.84Å; N333-F501 HydrophobicContact CB-CG 4.22Å
334	V	83.2	Confident	83.5	Confident	24 Å²	24	75.3 Å²	75.3	15%	0.145	38%	0.375	C	S	.	.	H	α-helix	trans	-55	-48.9	173.5	171.2	0	0	0	0	110.4	F330 H336 E337 L338 L384 F501	F330-V334 HydrophobicContact CD1-CG2 4.31Å; F330-V334 HydrophobicContact CD2-CG2 4.13Å; F330-V334 HydrophobicContact CE1-CG2 4.02Å; F330-V334 HydrophobicContact CE2-CG2 3.82Å; F330-V334 HydrophobicContact CG-CG2 4.38Å; F330-V334 HydrophobicContact CZ-CG2 3.79Å; F330-V334 WeakPolarHBondContact O-CB 3.25Å; F330-V334 WeakPolarHBondContact O-CG2 3.32Å; F330-V334 PolarHBondContact O-N 3.35Å; V334-H336 VanDerWaalsContact C-N 3.3Å; V334-H336 PolarHBondContact O-N 3.5Å; V334-E337 PolarHBondContact O-N 3.48Å; V334-L338 HydrophobicContact CG1-CD1 3.79Å; V334-L338 HydrophobicContact CG1-CG 4.4Å; V334-L338 WeakPolarHBondContact O-CB 3.21Å; V334-L338 WeakPolarHBondContact O-CG 3.37Å; V334-L338 PolarHBondContact O-N 3.36Å; V334-L384 HydrophobicContact CB-CD1 4.49Å; V334-L384 HydrophobicContact CG1-CD1 3.74Å; V334-L384 HydrophobicContact CG2-CD1 4.03Å; V334-L384 HydrophobicContact CG2-CD2 3.64Å; V334-L384 HydrophobicContact CG2-CG 4.5Å; V334-F501 HydrophobicContact CB-CZ 4.25Å; V334-F501 HydrophobicContact CG2-CE2 3.76Å; V334-F501 HydrophobicContact CG2-CZ 3.55Å
335	S	85.6	Confident	84	Confident	59 Å²	59	74.6 Å²	74.6	41%	0.413	37%	0.368	S	S	.	.	H	α-helix	trans	-62	-39.7	-179	-60.4	0	0	0	0	111.8	V331 S332 N333 R339	V331-S335 WeakPolarHBondContact O-CB 3.32Å; V331-S335 PolarHBondContact O-N 3.08Å; V331-S335 PolarHBondContact O-OG 3.23Å; S332-S335 WeakPolarHBondContact O-CB 2.96Å; S332-S335 PolarHBondContact O-N 3.44Å; N333-S335 VanDerWaalsContact C-N 3.3Å; N333-S335 PolarHBondContact O-N 2.98Å; S335-R339 VanDerWaalsContact O-CB 3.25Å; S335-R339 WeakPolarHBondContact O-CB 3.39Å; S335-R339 PolarHBondContact O-N 3.47Å
336	H	83.8	Confident	84.5	Confident	105 Å²	105	76.6 Å²	76.6	49%	0.486	37%	0.371	S	S	.	.	H	α-helix	trans	-69.9	-45.4	178.3	-170.4	-81.5	0	0	0	112.5	S332 N333 V334 L338 R339 T340	S332-H336 PolarHBondContact O-N 2.9Å; N333-H336 PolarHBondContact O-N 2.8Å; V334-H336 VanDerWaalsContact C-N 3.3Å; V334-H336 PolarHBondContact O-N 3.5Å; H336-L338 VanDerWaalsContact C-N 3.31Å; H336-L338 PolarHBondContact O-N 3.17Å; H336-R339 PolarHBondContact O-N 3.19Å; H336-T340 PolarHBondContact O-N 3.31Å; H336-T340 PolarHBondContact O-OG1 3.12Å; H336-T340 VanDerWaalsContact O-OG1 3.08Å
337	E	80	Confident	85.3	Confident	27 Å²	27	74.2 Å²	74.2	13%	0.126	37%	0.366	C	S	.	.	H	α-helix	trans	-71.5	-22.4	179.9	-72.4	-63	130.2	0	0	113.1	N333 V334 P341 M380 F501	N333-E337 WeakPolarHBondContact O-CB 3.31Å; N333-E337 PolarHBondContact O-N 3.39Å; V334-E337 PolarHBondContact O-N 3.48Å; E337-P341 WeakPolarHBondContact O-CD 3.43Å; E337-P341 WeakPolarHBondContact O-CG 3.15Å; E337-M380 HydrophobicContact CB-CE 4.06Å; E337-M380 HydrophobicContact CB-SD 3.97Å; E337-F501 HydrophobicContact CB-CD1 4.26Å; E337-F501 HydrophobicContact CB-CE1 4.02Å; E337-F501 HydrophobicContact CG-CD1 3.72Å; E337-F501 HydrophobicContact CG-CE1 3.99Å; E337-F501 HydrophobicContact CG-CG 4.43Å
338	L	86.6	Confident	85.9	Confident	44 Å²	44	68.7 Å²	68.7	23%	0.23	35%	0.346	C	S	.	.	H	α-helix	trans	-85.9	-32.1	169.8	-70.2	176.4	0	0	0	113.2	V334 H336 P341 L342 M377 M380 I381	V334-L338 HydrophobicContact CG1-CD1 3.79Å; V334-L338 HydrophobicContact CG1-CG 4.4Å; V334-L338 WeakPolarHBondContact O-CB 3.21Å; V334-L338 WeakPolarHBondContact O-CG 3.37Å; V334-L338 PolarHBondContact O-N 3.36Å; H336-L338 VanDerWaalsContact C-N 3.31Å; H336-L338 PolarHBondContact O-N 3.17Å; L338-P341 WeakPolarHBondContact O-CD 3.32Å; L338-P341 VanDerWaalsContact O-CG 3.22Å; L338-P341 WeakPolarHBondContact O-CG 3.37Å; L338-L342 VanDerWaalsContact O-CB 3.26Å; L338-L342 WeakPolarHBondContact O-CB 3.31Å; L338-L342 PolarHBondContact O-N 3.13Å; L338-M377 HydrophobicContact CD2-CE 4.34Å; L338-M380 HydrophobicContact CD2-SD 3.8Å; L338-M380 HydrophobicContact CG-SD 4.29Å; L338-I381 HydrophobicContact CD2-CG1 4.35Å
339	R	86.9	Confident	86.5	Confident	170 Å²	170	66.9 Å²	66.9	64%	0.642	35%	0.345	S	S	*	.	H	α-helix	trans	-66	-40.3	178.9	-175.7	-178.2	-65.5	168.9	0.6	112.2	S335 H336 L342 T343	S335-R339 VanDerWaalsContact O-CB 3.25Å; S335-R339 WeakPolarHBondContact O-CB 3.39Å; S335-R339 PolarHBondContact O-N 3.47Å; H336-R339 PolarHBondContact O-N 3.19Å; R339-L342 PolarHBondContact O-N 2.9Å; R339-T343 WeakPolarHBondContact O-CB 3.45Å; R339-T343 PolarHBondContact O-N 3.38Å; R339-T343 PolarHBondContact O-OG1 3.19Å
340	T	84	Confident	87	Confident	55 Å²	55	65.8 Å²	65.8	34%	0.337	34%	0.34	S	S	.	.	H	α-helix	trans	-59.3	-54.5	-179.1	-52.8	0	0	0	0	113.2	H336 L342 T343 S344	H336-T340 PolarHBondContact O-N 3.31Å; H336-T340 PolarHBondContact O-OG1 3.12Å; H336-T340 VanDerWaalsContact O-OG1 3.08Å; T340-L342 PolarHBondContact O-N 3.4Å; T340-T343 PolarHBondContact O-N 2.59Å; T340-S344 PolarHBondContact O-N 2.91Å; T340-S344 VanDerWaalsContact O-N 3.12Å
341	P	86.3	Confident	87.5	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.006	34%	0.344	C	S	.	.	H	α-helix	trans	-61.5	-42.9	175.7	20.4	-30.8	0	0	0	111.9	E337 L338 T343 S344 V345 E373 M377	E337-P341 WeakPolarHBondContact O-CD 3.43Å; E337-P341 WeakPolarHBondContact O-CG 3.15Å; L338-P341 WeakPolarHBondContact O-CD 3.32Å; L338-P341 VanDerWaalsContact O-CG 3.22Å; L338-P341 WeakPolarHBondContact O-CG 3.37Å; P341-T343 VanDerWaalsContact C-N 3.28Å; P341-T343 PolarHBondContact O-N 2.78Å; P341-S344 WeakPolarHBondContact O-CA 3.47Å; P341-S344 WeakPolarHBondContact O-CB 3.38Å; P341-S344 PolarHBondContact O-N 2.94Å; P341-S344 VanDerWaalsContact O-N 3.09Å; P341-V345 WeakPolarHBondContact O-CG2 3.12Å; P341-V345 PolarHBondContact O-N 3.42Å; P341-E373 HydrophobicContact CB-CG 3.41Å; P341-E373 VanDerWaalsContact CB-CG 3.41Å; P341-E373 WeakPolarHBondContact CB-OE1 3.49Å; P341-M377 HydrophobicContact CB-CG 3.62Å; P341-M377 HydrophobicContact CB-SD 3.75Å; P341-M377 HydrophobicContact CG-CG 3.72Å; P341-M377 HydrophobicContact CG-SD 4.01Å
342	L	91.5	Very high	87.9	Confident	103 Å²	103	62.7 Å²	62.7	54%	0.539	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-37.3	-179.7	-172.4	68.2	0	0	0	112.2	L338 R339 T340 R346 M377	L338-L342 VanDerWaalsContact O-CB 3.26Å; L338-L342 WeakPolarHBondContact O-CB 3.31Å; L338-L342 PolarHBondContact O-N 3.13Å; R339-L342 PolarHBondContact O-N 2.9Å; T340-L342 PolarHBondContact O-N 3.4Å; L342-R346 WeakPolarHBondContact O-CB 3.38Å; L342-R346 PolarHBondContact O-N 2.86Å; L342-M377 HydrophobicContact CB-CE 4.39Å; L342-M377 HydrophobicContact CD1-CE 4.37Å
343	T	91.1	Very high	88.3	Confident	54 Å²	54	66.7 Å²	66.7	33%	0.331	34%	0.337	S	S	.	.	H	α-helix	trans	-67	-41.2	174.5	-52.1	0	0	0	0	111	R339 T340 P341 R346 S347	R339-T343 WeakPolarHBondContact O-CB 3.45Å; R339-T343 PolarHBondContact O-N 3.38Å; R339-T343 PolarHBondContact O-OG1 3.19Å; T340-T343 PolarHBondContact O-N 2.59Å; P341-T343 VanDerWaalsContact C-N 3.28Å; P341-T343 PolarHBondContact O-N 2.78Å; T343-R346 PolarHBondContact O-N 3.09Å; T343-S347 PolarHBondContact O-N 2.92Å; T343-S347 PolarHBondContact O-OG 2.87Å
344	S	88.5	Confident	88.8	Confident	37 Å²	37	72.2 Å²	72.2	26%	0.259	36%	0.361	S	S	.	.	H	α-helix	trans	-60.5	-53.6	175.7	-172.7	0	0	0	0	111.5	T340 P341 R346 S347 Y348	T340-S344 PolarHBondContact O-N 2.91Å; T340-S344 VanDerWaalsContact O-N 3.12Å; P341-S344 WeakPolarHBondContact O-CA 3.47Å; P341-S344 WeakPolarHBondContact O-CB 3.38Å; P341-S344 PolarHBondContact O-N 2.94Å; P341-S344 VanDerWaalsContact O-N 3.09Å; S344-R346 VanDerWaalsContact C-N 3.26Å; S344-R346 PolarHBondContact O-N 3.3Å; S344-S347 PolarHBondContact O-N 3.42Å; S344-S347 VanDerWaalsContact O-N 3.1Å; S344-Y348 WeakPolarHBondContact O-CD2 3.33Å; S344-Y348 PolarHBondContact O-N 2.76Å; S344-Y348 WeakPolarHBondContact OG-CE2 3.27Å
345	V	91.4	Very high	89	Confident	18 Å²	18	72.3 Å²	72.3	11%	0.109	37%	0.366	C	S	.	.	H	α-helix	trans	-54	-45.5	175.7	167.8	0	0	0	0	110.6	P341 Y348 L349 T370 E373	P341-V345 WeakPolarHBondContact O-CG2 3.12Å; P341-V345 PolarHBondContact O-N 3.42Å; V345-Y348 PolarHBondContact O-N 3.03Å; V345-L349 HydrophobicContact CG1-CD1 3.73Å; V345-L349 HydrophobicContact CG1-CG 4.39Å; V345-L349 WeakPolarHBondContact O-CB 3.35Å; V345-L349 VanDerWaalsContact O-CG 3.23Å; V345-L349 WeakPolarHBondContact O-CG 3.48Å; V345-L349 PolarHBondContact O-N 3.24Å; V345-T370 HydrophobicContact CB-CG2 4.49Å; V345-T370 HydrophobicContact CG1-CG2 3.84Å; V345-T370 HydrophobicContact CG2-CG2 4.37Å; V345-E373 HydrophobicContact CG2-CB 3.88Å; V345-E373 HydrophobicContact CG2-CG 4.15Å
346	R	92.3	Very high	89	Confident	138 Å²	138	70.6 Å²	70.6	52%	0.521	36%	0.356	S	S	.	.	H	α-helix	trans	-60.7	-48.2	177.2	-167.9	-177.4	71.4	-147.3	-5.5	111.7	L342 T343 S344 Y348 L349 E350	L342-R346 WeakPolarHBondContact O-CB 3.38Å; L342-R346 PolarHBondContact O-N 2.86Å; T343-R346 PolarHBondContact O-N 3.09Å; S344-R346 VanDerWaalsContact C-N 3.26Å; S344-R346 PolarHBondContact O-N 3.3Å; R346-Y348 PolarHBondContact O-N 2.74Å; R346-L349 PolarHBondContact O-N 3.27Å; R346-E350 VanDerWaalsContact CD-OE1 3.32Å; R346-E350 WeakPolarHBondContact CD-OE1 3.32Å; R346-E350 HydrophobicContact CG-CG 4.19Å; R346-E350 WeakPolarHBondContact CG-OE1 3.24Å; R346-E350 IonicContact NE-OE1 2.76Å; R346-E350 PolarHBondContact NE-OE1 3.38Å; R346-E350 VanDerWaalsContact NE-OE1 3.16Å; R346-E350 WeakPolarHBondContact O-CB 3.47Å; R346-E350 VanDerWaalsContact O-CG 3.28Å; R346-E350 WeakPolarHBondContact O-CG 3.43Å; R346-E350 PolarHBondContact O-N 2.88Å
347	S	92.2	Very high	89.2	Confident	57 Å²	57	73.3 Å²	73.3	40%	0.399	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-38.6	-179.1	-67	0	0	0	0	113.4	T343 S344 A351	T343-S347 PolarHBondContact O-N 2.92Å; T343-S347 PolarHBondContact O-OG 2.87Å; S344-S347 PolarHBondContact O-N 3.42Å; S344-S347 VanDerWaalsContact O-N 3.1Å; S347-A351 WeakPolarHBondContact O-CB 3.47Å; S347-A351 PolarHBondContact O-N 2.97Å
348	Y	91.3	Very high	89.6	Confident	70 Å²	70	78.8 Å²	78.8	28%	0.275	39%	0.388	S	S	.	.	H	α-helix	trans	-68	-39.2	174.5	-75.2	-68	0	0	0	112.1	S344 V345 R346 L352 F366 V369 T370	S344-Y348 WeakPolarHBondContact O-CD2 3.33Å; S344-Y348 PolarHBondContact O-N 2.76Å; S344-Y348 WeakPolarHBondContact OG-CE2 3.27Å; V345-Y348 PolarHBondContact O-N 3.03Å; R346-Y348 PolarHBondContact O-N 2.74Å; Y348-L352 WeakPolarHBondContact O-CB 3.45Å; Y348-L352 VanDerWaalsContact O-CG 3.29Å; Y348-L352 WeakPolarHBondContact O-CG 3.31Å; Y348-L352 PolarHBondContact O-N 3.41Å; Y348-F366 HydrophobicContact CD1-CB 3.98Å; Y348-F366 AromaticContact CD1-CD1 3.54Å; Y348-F366 HydrophobicContact CD1-CD1 3.54Å; Y348-F366 AromaticContact CD1-CD2 3.95Å; Y348-F366 HydrophobicContact CD1-CD2 3.95Å; Y348-F366 AromaticContact CD1-CE1 3.92Å; Y348-F366 HydrophobicContact CD1-CE1 3.92Å; Y348-F366 HydrophobicContact CD1-CE2 4.31Å; Y348-F366 AromaticContact CD1-CG 3.55Å; Y348-F366 HydrophobicContact CD1-CG 3.55Å; Y348-F366 HydrophobicContact CD1-CZ 4.29Å; Y348-F366 AromaticContact CE1-CD1 3.65Å; Y348-F366 HydrophobicContact CE1-CD1 3.65Å; Y348-F366 AromaticContact CE1-CE1 3.77Å; Y348-F366 HydrophobicContact CE1-CE1 3.77Å; Y348-F366 HydrophobicContact CE1-CG 4.17Å; Y348-F366 HydrophobicContact CE1-CZ 4.38Å; Y348-V369 HydrophobicContact CD2-CB 4.47Å; Y348-V369 HydrophobicContact CD2-CG1 3.82Å; Y348-V369 HydrophobicContact CE1-CG1 4.41Å; Y348-V369 HydrophobicContact CE2-CB 4.21Å; Y348-V369 HydrophobicContact CE2-CG1 3.32Å; Y348-T370 WeakPolarHBondContact CB-OG1 3.23Å
349	L	93.3	Very high	89.8	Confident	90 Å²	90	80.1 Å²	80.1	47%	0.471	40%	0.395	S	S	.	.	H	α-helix	trans	-69.1	-38.3	175.1	-69.4	174.2	0	0	0	112.6	V345 R346 L352 E353 T370	V345-L349 HydrophobicContact CG1-CD1 3.73Å; V345-L349 HydrophobicContact CG1-CG 4.39Å; V345-L349 WeakPolarHBondContact O-CB 3.35Å; V345-L349 VanDerWaalsContact O-CG 3.23Å; V345-L349 WeakPolarHBondContact O-CG 3.48Å; V345-L349 PolarHBondContact O-N 3.24Å; R346-L349 PolarHBondContact O-N 3.27Å; L349-L352 HydrophobicContact CD2-CD1 4.33Å; L349-L352 PolarHBondContact O-N 2.81Å; L349-E353 WeakPolarHBondContact O-CB 3.42Å; L349-E353 PolarHBondContact O-N 2.79Å; L349-T370 HydrophobicContact CD1-CG2 4.44Å; L349-T370 HydrophobicContact CD2-CG2 4.17Å; L349-T370 HydrophobicContact CG-CG2 4.17Å
350	E	91.7	Very high	89.9	Confident	85 Å²	85	81.1 Å²	81.1	40%	0.397	40%	0.404	S	S	.	.	H	α-helix	trans	-60.7	-47.8	172.6	-77.7	168.2	176	0	0	110.3	R346 L352 E353 E354	R346-E350 VanDerWaalsContact CD-OE1 3.32Å; R346-E350 WeakPolarHBondContact CD-OE1 3.32Å; R346-E350 HydrophobicContact CG-CG 4.19Å; R346-E350 WeakPolarHBondContact CG-OE1 3.24Å; R346-E350 IonicContact NE-OE1 2.76Å; R346-E350 PolarHBondContact NE-OE1 3.38Å; R346-E350 VanDerWaalsContact NE-OE1 3.16Å; R346-E350 WeakPolarHBondContact O-CB 3.47Å; R346-E350 VanDerWaalsContact O-CG 3.28Å; R346-E350 WeakPolarHBondContact O-CG 3.43Å; R346-E350 PolarHBondContact O-N 2.88Å; E350-L352 VanDerWaalsContact C-N 3.33Å; E350-L352 PolarHBondContact O-N 2.89Å; E350-E353 WeakPolarHBondContact O-CB 3.38Å; E350-E353 PolarHBondContact O-N 2.86Å; E350-E354 WeakPolarHBondContact O-CG 3.31Å; E350-E354 PolarHBondContact O-N 2.99Å
351	A	90.8	Very high	90	Very high	29 Å²	29	83.6 Å²	83.6	24%	0.24	42%	0.419	C	S	.	.	H	α-helix	trans	-64.7	-36.9	177.8	0	0	0	0	0	112.6	S347 E353 E354 A356 F366	S347-A351 WeakPolarHBondContact O-CB 3.47Å; S347-A351 PolarHBondContact O-N 2.97Å; A351-E353 VanDerWaalsContact C-N 3.32Å; A351-E354 PolarHBondContact O-N 3.48Å; A351-A356 WeakPolarHBondContact O-CB 3.33Å; A351-A356 PolarHBondContact O-N 3.02Å; A351-F366 HydrophobicContact CB-CD2 4.11Å; A351-F366 HydrophobicContact CB-CE2 3.59Å
352	L	91.1	Very high	90	Very high	23 Å²	23	85.4 Å²	85.4	12%	0.12	43%	0.43	C	S	.	.	H	α-helix	trans	-62.7	-38.5	171.2	-76.7	169.4	0	0	0	111.6	Y348 L349 E350 W357 A363 F366 I367	Y348-L352 WeakPolarHBondContact O-CB 3.45Å; Y348-L352 VanDerWaalsContact O-CG 3.29Å; Y348-L352 WeakPolarHBondContact O-CG 3.31Å; Y348-L352 PolarHBondContact O-N 3.41Å; L349-L352 HydrophobicContact CD2-CD1 4.33Å; L349-L352 PolarHBondContact O-N 2.81Å; E350-L352 VanDerWaalsContact C-N 3.33Å; E350-L352 PolarHBondContact O-N 2.89Å; L352-W357 HydrophobicContact CD2-CB 4.3Å; L352-A363 HydrophobicContact CD2-CB 4.02Å; L352-F366 HydrophobicContact CD1-CB 4.07Å; L352-F366 HydrophobicContact CD2-CB 4.1Å; L352-F366 HydrophobicContact CD2-CD2 4.36Å; L352-F366 HydrophobicContact CG-CB 4.02Å; L352-F366 HydrophobicContact CG-CD2 4.16Å; L352-I367 HydrophobicContact CD1-CG1 3.96Å
353	E	91.5	Very high	89.9	Confident	160 Å²	160	81 Å²	81	75%	0.748	41%	0.409	S	S	*	.	H	α-helix	trans	-69.2	-38.7	177.3	-166.1	-123.1	172	0	0	112.6	L349 E350 A351 G355	L349-E353 WeakPolarHBondContact O-CB 3.42Å; L349-E353 PolarHBondContact O-N 2.79Å; E350-E353 WeakPolarHBondContact O-CB 3.38Å; E350-E353 PolarHBondContact O-N 2.86Å; A351-E353 VanDerWaalsContact C-N 3.32Å; E353-G355 PolarHBondContact O-N 3.38Å; E353-G355 VanDerWaalsContact O-N 3.15Å
354	E	91.6	Very high	89.9	Confident	168 Å²	168	82 Å²	82	79%	0.785	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-4.3	179.5	-72.8	-176.9	173.1	0	0	114.6	E350 A351	E350-E354 WeakPolarHBondContact O-CG 3.31Å; E350-E354 PolarHBondContact O-N 2.99Å; A351-E354 PolarHBondContact O-N 3.48Å
355	G	87.4	Confident	89.9	Confident	25 Å²	25	86.2 Å²	86.2	26%	0.258	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	123.9	-3.2	173.8	0	0	0	0	0	115.2	E353 W357 E358	E353-G355 PolarHBondContact O-N 3.38Å; E353-G355 VanDerWaalsContact O-N 3.15Å; G355-W357 PolarHBondContact O-N 3.16Å; G355-E358 WeakPolarHBondContact O-CB 3.36Å; G355-E358 PolarHBondContact O-N 3.4Å
356	A	85.6	Confident	89.9	Confident	24 Å²	24	87.3 Å²	87.3	20%	0.198	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-62.4	-17.5	176.5	0	0	0	0	0	112.7	A351 E358 D359 F366	A351-A356 WeakPolarHBondContact O-CB 3.33Å; A351-A356 PolarHBondContact O-N 3.02Å; A356-E358 PolarHBondContact O-N 2.96Å; A356-D359 PolarHBondContact O-N 2.84Å; A356-F366 HydrophobicContact CB-CD2 4.26Å; A356-F366 HydrophobicContact CB-CE2 4.04Å
357	W	88.4	Confident	89.8	Confident	162 Å²	162	85.5 Å²	85.5	61%	0.614	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-61.1	-23.5	172.8	76.7	-90.4	0	0	0	113.7	L352 G355 D359	L352-W357 HydrophobicContact CD2-CB 4.3Å; G355-W357 PolarHBondContact O-N 3.16Å; W357-D359 VanDerWaalsContact C-N 3.34Å
358	E	88.7	Confident	89.6	Confident	141 Å²	141	89.4 Å²	89.4	66%	0.659	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-76.3	-23.8	177.8	-61.7	-173.3	173.4	0	0	112.4	G355 A356 K360	G355-E358 WeakPolarHBondContact O-CB 3.36Å; G355-E358 PolarHBondContact O-N 3.4Å; A356-E358 PolarHBondContact O-N 2.96Å; E358-K360 PolarHBondContact O-N 3.08Å
359	D	90	Very high	89.4	Confident	72 Å²	72	88.2 Å²	88.2	39%	0.385	45%	0.446	S	S	.	.			trans	-81.6	107.3	177.8	-169.3	-31.5	0	0	0	110.4	A356 W357 T361 V362 A363	A356-D359 PolarHBondContact O-N 2.84Å; W357-D359 VanDerWaalsContact C-N 3.34Å; D359-T361 PolarHBondContact O-N 3.42Å; D359-T361 VanDerWaalsContact O-N 3.08Å; D359-T361 WeakPolarHBondContact OD1-CA 3.31Å; D359-T361 WeakPolarHBondContact OD1-CB 3.32Å; D359-T361 PolarHBondContact OD1-N 3.23Å; D359-T361 PolarHBondContact OD1-OG1 2.94Å; D359-V362 HydrophobicContact CB-CB 4.1Å; D359-V362 HydrophobicContact CB-CG2 4.29Å; D359-V362 PolarHBondContact O-N 3.3Å; D359-V362 PolarHBondContact OD1-N 2.89Å; D359-A363 VanDerWaalsContact O-CB 3.28Å; D359-A363 WeakPolarHBondContact O-CB 3.41Å; D359-A363 PolarHBondContact O-N 3.4Å
360	K	88.4	Confident	89.2	Confident	191 Å²	191	84.7 Å²	84.7	83%	0.83	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-13.2	-180	-67.2	-172.9	178	-177.9	0	114.4	E358 P364	E358-K360 PolarHBondContact O-N 3.08Å; K360-P364 WeakPolarHBondContact O-CD 3.35Å; K360-P364 WeakPolarHBondContact O-CG 3.48Å
361	T	86.7	Confident	89.1	Confident	108 Å²	108	85.2 Å²	85.2	66%	0.663	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-41.7	177.1	65.5	0	0	0	0	111.8	D359	D359-T361 PolarHBondContact O-N 3.42Å; D359-T361 VanDerWaalsContact O-N 3.08Å; D359-T361 WeakPolarHBondContact OD1-CA 3.31Å; D359-T361 WeakPolarHBondContact OD1-CB 3.32Å; D359-T361 PolarHBondContact OD1-N 3.23Å; D359-T361 PolarHBondContact OD1-OG1 2.94Å
362	V	87.4	Confident	88.9	Confident	38 Å²	38	85.4 Å²	85.4	23%	0.23	44%	0.438	C	S	.	.	H	α-helix	trans	-83.5	-40	-175.7	179.6	0	0	0	0	112.3	D359 E365 F366	D359-V362 HydrophobicContact CB-CB 4.1Å; D359-V362 HydrophobicContact CB-CG2 4.29Å; D359-V362 PolarHBondContact O-N 3.3Å; D359-V362 PolarHBondContact OD1-N 2.89Å; V362-E365 WeakPolarHBondContact O-CB 3.26Å; V362-E365 PolarHBondContact O-N 3.39Å; V362-E365 VanDerWaalsContact O-N 3.09Å; V362-F366 HydrophobicContact CG1-CD1 3.72Å; V362-F366 HydrophobicContact CG1-CD2 3.99Å; V362-F366 HydrophobicContact CG1-CE1 3.41Å; V362-F366 VanDerWaalsContact CG1-CE1 3.41Å; V362-F366 HydrophobicContact CG1-CE2 3.67Å; V362-F366 HydrophobicContact CG1-CG 4.02Å; V362-F366 HydrophobicContact CG1-CZ 3.38Å; V362-F366 PolarHBondContact O-N 2.92Å
363	A	89	Confident	88.6	Confident	11 Å²	11	86 Å²	86	9%	0.091	44%	0.441	C	S	.	.	H	α-helix	trans	-58	-44.9	-175.4	0	0	0	0	0	113.6	L352 D359 E365 F366 I367	L352-A363 HydrophobicContact CD2-CB 4.02Å; D359-A363 VanDerWaalsContact O-CB 3.28Å; D359-A363 WeakPolarHBondContact O-CB 3.41Å; D359-A363 PolarHBondContact O-N 3.4Å; A363-E365 VanDerWaalsContact C-N 3.3Å; A363-E365 PolarHBondContact O-N 3.14Å; A363-F366 PolarHBondContact O-N 3.28Å; A363-I367 VanDerWaalsContact O-CG1 3.29Å; A363-I367 WeakPolarHBondContact O-CG1 3.27Å; A363-I367 PolarHBondContact O-N 2.85Å
364	P	91	Very high	88.6	Confident	76 Å²	76	80.9 Å²	80.9	49%	0.494	42%	0.42	S	S	.	.	H	α-helix	trans	-62.1	-36.4	176.2	-22.7	35.1	0	0	0	113.1	K360 H368	K360-P364 WeakPolarHBondContact O-CD 3.35Å; K360-P364 WeakPolarHBondContact O-CG 3.48Å; P364-H368 VanDerWaalsContact O-CB 3.24Å; P364-H368 WeakPolarHBondContact O-CB 3.25Å; P364-H368 PolarHBondContact O-N 2.89Å
365	E	87.7	Confident	88.4	Confident	124 Å²	124	76.5 Å²	76.5	58%	0.579	40%	0.402	S	S	*	.	H	α-helix	trans	-67.2	-45.6	178.1	-171.9	177	-178.3	0	0	111	V362 A363 I367 H368 V369	V362-E365 WeakPolarHBondContact O-CB 3.26Å; V362-E365 PolarHBondContact O-N 3.39Å; V362-E365 VanDerWaalsContact O-N 3.09Å; A363-E365 VanDerWaalsContact C-N 3.3Å; A363-E365 PolarHBondContact O-N 3.14Å; E365-I367 PolarHBondContact O-N 3.39Å; E365-H368 PolarHBondContact O-N 2.94Å; E365-V369 VanDerWaalsContact O-CG2 3.32Å; E365-V369 WeakPolarHBondContact O-CG2 3.4Å; E365-V369 PolarHBondContact O-N 3.43Å
366	F	91	Very high	88.1	Confident	42 Å²	42	76 Å²	76	18%	0.184	39%	0.393	C	S	.	.	H	α-helix	trans	-64.2	-41.3	178.8	-75.6	12.8	0	0	0	112.1	Y348 A351 L352 A356 V362 A363 H368 T370	Y348-F366 HydrophobicContact CD1-CB 3.98Å; Y348-F366 AromaticContact CD1-CD1 3.54Å; Y348-F366 HydrophobicContact CD1-CD1 3.54Å; Y348-F366 AromaticContact CD1-CD2 3.95Å; Y348-F366 HydrophobicContact CD1-CD2 3.95Å; Y348-F366 AromaticContact CD1-CE1 3.92Å; Y348-F366 HydrophobicContact CD1-CE1 3.92Å; Y348-F366 HydrophobicContact CD1-CE2 4.31Å; Y348-F366 AromaticContact CD1-CG 3.55Å; Y348-F366 HydrophobicContact CD1-CG 3.55Å; Y348-F366 HydrophobicContact CD1-CZ 4.29Å; Y348-F366 AromaticContact CE1-CD1 3.65Å; Y348-F366 HydrophobicContact CE1-CD1 3.65Å; Y348-F366 AromaticContact CE1-CE1 3.77Å; Y348-F366 HydrophobicContact CE1-CE1 3.77Å; Y348-F366 HydrophobicContact CE1-CG 4.17Å; Y348-F366 HydrophobicContact CE1-CZ 4.38Å; A351-F366 HydrophobicContact CB-CD2 4.11Å; A351-F366 HydrophobicContact CB-CE2 3.59Å; L352-F366 HydrophobicContact CD1-CB 4.07Å; L352-F366 HydrophobicContact CD2-CB 4.1Å; L352-F366 HydrophobicContact CD2-CD2 4.36Å; L352-F366 HydrophobicContact CG-CB 4.02Å; L352-F366 HydrophobicContact CG-CD2 4.16Å; A356-F366 HydrophobicContact CB-CD2 4.26Å; A356-F366 HydrophobicContact CB-CE2 4.04Å; V362-F366 HydrophobicContact CG1-CD1 3.72Å; V362-F366 HydrophobicContact CG1-CD2 3.99Å; V362-F366 HydrophobicContact CG1-CE1 3.41Å; V362-F366 VanDerWaalsContact CG1-CE1 3.41Å; V362-F366 HydrophobicContact CG1-CE2 3.67Å; V362-F366 HydrophobicContact CG1-CG 4.02Å; V362-F366 HydrophobicContact CG1-CZ 3.38Å; V362-F366 PolarHBondContact O-N 2.92Å; A363-F366 PolarHBondContact O-N 3.28Å; F366-H368 VanDerWaalsContact C-N 3.35Å; F366-T370 VanDerWaalsContact O-CB 3.3Å; F366-T370 WeakPolarHBondContact O-CB 3.42Å; F366-T370 PolarHBondContact O-N 3.06Å; F366-T370 PolarHBondContact O-OG1 2.91Å
367	I	90.8	Very high	88.2	Confident	100 Å²	100	76.5 Å²	76.5	51%	0.513	39%	0.391	S	S	.	.	H	α-helix	trans	-63	-44.1	174	-67.9	168.3	0	0	0	110.2	L352 A363 E365 T370 L371	L352-I367 HydrophobicContact CD1-CG1 3.96Å; A363-I367 VanDerWaalsContact O-CG1 3.29Å; A363-I367 WeakPolarHBondContact O-CG1 3.27Å; A363-I367 PolarHBondContact O-N 2.85Å; E365-I367 PolarHBondContact O-N 3.39Å; I367-T370 PolarHBondContact O-N 3.43Å; I367-L371 WeakPolarHBondContact O-CB 3.42Å; I367-L371 PolarHBondContact O-N 2.82Å
368	H	88.7	Confident	88.2	Confident	139 Å²	139	72.9 Å²	72.9	64%	0.644	38%	0.383	S	S	*	.	H	α-helix	trans	-63.5	-44.4	179.6	-174.6	67.3	0	0	0	112.2	P364 E365 F366 L371 G372	P364-H368 VanDerWaalsContact O-CB 3.24Å; P364-H368 WeakPolarHBondContact O-CB 3.25Å; P364-H368 PolarHBondContact O-N 2.89Å; E365-H368 PolarHBondContact O-N 2.94Å; F366-H368 VanDerWaalsContact C-N 3.35Å; H368-L371 PolarHBondContact O-N 2.91Å; H368-G372 PolarHBondContact O-N 3.45Å
369	V	86	Confident	88	Confident	44 Å²	44	72.9 Å²	72.9	27%	0.267	38%	0.377	S	S	.	.	H	α-helix	trans	-63.5	-43.3	175.6	176	0	0	0	0	110.9	Y348 E365 L371 G372 E373	Y348-V369 HydrophobicContact CD2-CB 4.47Å; Y348-V369 HydrophobicContact CD2-CG1 3.82Å; Y348-V369 HydrophobicContact CE1-CG1 4.41Å; Y348-V369 HydrophobicContact CE2-CB 4.21Å; Y348-V369 HydrophobicContact CE2-CG1 3.32Å; E365-V369 VanDerWaalsContact O-CG2 3.32Å; E365-V369 WeakPolarHBondContact O-CG2 3.4Å; E365-V369 PolarHBondContact O-N 3.43Å; V369-L371 PolarHBondContact O-N 3.38Å; V369-G372 PolarHBondContact O-N 3.47Å; V369-E373 WeakPolarHBondContact O-CB 3.3Å; V369-E373 PolarHBondContact O-N 2.89Å
370	T	90.3	Very high	87.7	Confident	16 Å²	16	69.5 Å²	69.5	10%	0.098	36%	0.359	C	S	.	.	H	α-helix	trans	-61.9	-44.6	177.8	-59.3	0	0	0	0	111.9	V345 Y348 L349 F366 I367 E373 T374	V345-T370 HydrophobicContact CB-CG2 4.49Å; V345-T370 HydrophobicContact CG1-CG2 3.84Å; V345-T370 HydrophobicContact CG2-CG2 4.37Å; Y348-T370 WeakPolarHBondContact CB-OG1 3.23Å; L349-T370 HydrophobicContact CD1-CG2 4.44Å; L349-T370 HydrophobicContact CD2-CG2 4.17Å; L349-T370 HydrophobicContact CG-CG2 4.17Å; F366-T370 VanDerWaalsContact O-CB 3.3Å; F366-T370 WeakPolarHBondContact O-CB 3.42Å; F366-T370 PolarHBondContact O-N 3.06Å; F366-T370 PolarHBondContact O-OG1 2.91Å; I367-T370 PolarHBondContact O-N 3.43Å; T370-E373 PolarHBondContact O-N 3.17Å; T370-T374 WeakPolarHBondContact O-CB 3.45Å; T370-T374 PolarHBondContact O-N 2.97Å; T370-T374 PolarHBondContact O-OG1 3.33Å
371	L	89.6	Confident	87.6	Confident	97 Å²	97	64 Å²	64	51%	0.508	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-47.6	176.7	-177.6	61.7	0	0	0	111	I367 H368 V369 E373 T374 D375	I367-L371 WeakPolarHBondContact O-CB 3.42Å; I367-L371 PolarHBondContact O-N 2.82Å; H368-L371 PolarHBondContact O-N 2.91Å; V369-L371 PolarHBondContact O-N 3.38Å; L371-E373 VanDerWaalsContact C-N 3.32Å; L371-E373 PolarHBondContact O-N 3.21Å; L371-T374 WeakPolarHBondContact O-CB 3.5Å; L371-T374 PolarHBondContact O-N 3.14Å; L371-T374 VanDerWaalsContact O-N 3.13Å; L371-D375 PolarHBondContact O-N 3.02Å
372	G	85.6	Confident	87.6	Confident	33 Å²	33	62.7 Å²	62.7	34%	0.34	33%	0.326	S	S	.	.	H	α-helix	trans	-59.7	-39.8	178.3	0	0	0	0	0	113.2	H368 V369 R376	H368-G372 PolarHBondContact O-N 3.45Å; V369-G372 PolarHBondContact O-N 3.47Å; G372-R376 WeakPolarHBondContact O-CB 3.48Å; G372-R376 PolarHBondContact O-N 3.12Å
373	E	86	Confident	87.4	Confident	36 Å²	36	62.2 Å²	62.2	17%	0.168	32%	0.323	C	S	.	.	H	α-helix	trans	-72	-33.7	177	-157.4	64.2	-163.3	0	0	111.8	P341 V345 V369 T370 L371 R376 M377	P341-E373 HydrophobicContact CB-CG 3.41Å; P341-E373 VanDerWaalsContact CB-CG 3.41Å; P341-E373 WeakPolarHBondContact CB-OE1 3.49Å; V345-E373 HydrophobicContact CG2-CB 3.88Å; V345-E373 HydrophobicContact CG2-CG 4.15Å; V369-E373 WeakPolarHBondContact O-CB 3.3Å; V369-E373 PolarHBondContact O-N 2.89Å; T370-E373 PolarHBondContact O-N 3.17Å; L371-E373 VanDerWaalsContact C-N 3.32Å; L371-E373 PolarHBondContact O-N 3.21Å; E373-R376 WeakPolarHBondContact O-CB 3.36Å; E373-R376 PolarHBondContact O-N 3.47Å; E373-R376 IonicContact OE1-CZ 2.86Å; E373-R376 IonicContact OE1-NH1 2.87Å; E373-R376 PolarHBondContact OE1-NH1 3.37Å; E373-M377 WeakPolarHBondContact O-CG 3.18Å; E373-M377 PolarHBondContact O-N 3.1Å
374	T	90.9	Very high	87.3	Confident	52 Å²	52	62.6 Å²	62.6	32%	0.319	32%	0.323	S	S	.	.	H	α-helix	trans	-66.4	-45.3	174	-54.7	0	0	0	0	111.2	T370 L371 R376 M377 I378	T370-T374 WeakPolarHBondContact O-CB 3.45Å; T370-T374 PolarHBondContact O-N 2.97Å; T370-T374 PolarHBondContact O-OG1 3.33Å; L371-T374 WeakPolarHBondContact O-CB 3.5Å; L371-T374 PolarHBondContact O-N 3.14Å; L371-T374 VanDerWaalsContact O-N 3.13Å; T374-R376 VanDerWaalsContact C-N 3.25Å; T374-R376 PolarHBondContact O-N 3.24Å; T374-M377 WeakPolarHBondContact O-CB 3.35Å; T374-M377 PolarHBondContact O-N 2.86Å; T374-M377 VanDerWaalsContact O-N 3.1Å; T374-I378 HydrophobicContact CG2-CD1 4.28Å; T374-I378 WeakPolarHBondContact O-CG1 3.34Å; T374-I378 PolarHBondContact O-N 3.37Å
375	D	87.5	Confident	86.9	Confident	75 Å²	75	63.2 Å²	63.2	40%	0.401	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-35.1	175	-71.5	-24.6	0	0	0	111.7	L371 R379	L371-D375 PolarHBondContact O-N 3.02Å; D375-R379 WeakPolarHBondContact O-CG 3.45Å; D375-R379 PolarHBondContact O-N 3.38Å; D375-R379 VanDerWaalsContact O-N 3.09Å; D375-R379 PolarHBondContact O-NE 3.44Å
376	R	81.8	Confident	86.5	Confident	16 Å²	16	59.1 Å²	59.1	6%	0.06	30%	0.304	C	S	.	.	H	α-helix	trans	-64.9	-42.9	172.2	-174.3	176.1	178.3	-115.6	-10.3	111.7	G372 E373 T374 R379 M380 G513 G514	G372-R376 WeakPolarHBondContact O-CB 3.48Å; G372-R376 PolarHBondContact O-N 3.12Å; E373-R376 WeakPolarHBondContact O-CB 3.36Å; E373-R376 PolarHBondContact O-N 3.47Å; E373-R376 IonicContact OE1-CZ 2.86Å; E373-R376 IonicContact OE1-NH1 2.87Å; E373-R376 PolarHBondContact OE1-NH1 3.37Å; T374-R376 VanDerWaalsContact C-N 3.25Å; T374-R376 PolarHBondContact O-N 3.24Å; R376-R379 PolarHBondContact O-N 3.32Å; R376-M380 WeakPolarHBondContact O-CB 3.36Å; R376-M380 PolarHBondContact O-N 3.35Å; R376-G513 PolarHBondContact NE-O 3.13Å; R376-G514 PolarHBondContact NH2-O 3.46Å
377	M	87.4	Confident	86.1	Confident	33 Å²	33	57.1 Å²	57.1	16%	0.163	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-42.9	175	-72.5	178.7	69.8	0	0	112.1	L338 P341 L342 E373 T374 R379 M380 I381	L338-M377 HydrophobicContact CD2-CE 4.34Å; P341-M377 HydrophobicContact CB-CG 3.62Å; P341-M377 HydrophobicContact CB-SD 3.75Å; P341-M377 HydrophobicContact CG-CG 3.72Å; P341-M377 HydrophobicContact CG-SD 4.01Å; L342-M377 HydrophobicContact CB-CE 4.39Å; L342-M377 HydrophobicContact CD1-CE 4.37Å; E373-M377 WeakPolarHBondContact O-CG 3.18Å; E373-M377 PolarHBondContact O-N 3.1Å; T374-M377 WeakPolarHBondContact O-CB 3.35Å; T374-M377 PolarHBondContact O-N 2.86Å; T374-M377 VanDerWaalsContact O-N 3.1Å; M377-R379 PolarHBondContact O-N 3.29Å; M377-M380 PolarHBondContact O-N 3.3Å; M377-I381 WeakPolarHBondContact O-CG1 3.49Å; M377-I381 PolarHBondContact O-N 2.69Å
378	I	88.1	Confident	85.6	Confident	86 Å²	86	55.6 Å²	55.6	44%	0.441	29%	0.293	S	S	.	.	H	α-helix	trans	-60.3	-46.7	177.8	-69	167.6	0	0	0	110.5	T374 M380 I381 N382	T374-I378 HydrophobicContact CG2-CD1 4.28Å; T374-I378 WeakPolarHBondContact O-CG1 3.34Å; T374-I378 PolarHBondContact O-N 3.37Å; I378-M380 PolarHBondContact O-N 3.1Å; I378-I381 PolarHBondContact O-N 3.08Å; I378-N382 PolarHBondContact O-N 3.02Å; I378-N382 PolarHBondContact O-ND2 3.34Å
379	R	83.4	Confident	85.2	Confident	142 Å²	142	56 Å²	56	54%	0.536	29%	0.289	S	S	.	.	H	α-helix	trans	-58.8	-46.3	174.5	-75.4	-179.1	-70.4	-166.7	-0.5	112	D375 R376 M377 I381 N382 D383	D375-R379 WeakPolarHBondContact O-CG 3.45Å; D375-R379 PolarHBondContact O-N 3.38Å; D375-R379 VanDerWaalsContact O-N 3.09Å; D375-R379 PolarHBondContact O-NE 3.44Å; R376-R379 PolarHBondContact O-N 3.32Å; M377-R379 PolarHBondContact O-N 3.29Å; R379-I381 PolarHBondContact O-N 2.93Å; R379-N382 PolarHBondContact O-N 3.37Å; R379-D383 WeakPolarHBondContact O-CB 3.26Å; R379-D383 VanDerWaalsContact O-CG 3.29Å; R379-D383 PolarHBondContact O-N 3.09Å
380	M	84.2	Confident	84.9	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-41.6	177.5	-173.4	-176.4	-67.4	0	0	112.6	E337 L338 R376 M377 I378 D383 L384 T515 L517	E337-M380 HydrophobicContact CB-CE 4.06Å; E337-M380 HydrophobicContact CB-SD 3.97Å; L338-M380 HydrophobicContact CD2-SD 3.8Å; L338-M380 HydrophobicContact CG-SD 4.29Å; R376-M380 WeakPolarHBondContact O-CB 3.36Å; R376-M380 PolarHBondContact O-N 3.35Å; M377-M380 PolarHBondContact O-N 3.3Å; I378-M380 PolarHBondContact O-N 3.1Å; M380-D383 PolarHBondContact O-N 3.47Å; M380-L384 HydrophobicContact CG-CD1 4.19Å; M380-L384 WeakPolarHBondContact O-CB 3.2Å; M380-L384 WeakPolarHBondContact O-CG 3.45Å; M380-L384 PolarHBondContact O-N 2.89Å; M380-T515 HydrophobicContact CB-CG2 3.99Å; M380-T515 HydrophobicContact CE-CG2 4.35Å; M380-T515 HydrophobicContact CG-CG2 4.41Å; M380-L517 HydrophobicContact CG-CD1 4.12Å
381	I	87.3	Confident	84.2	Confident	74 Å²	74	58.4 Å²	58.4	38%	0.379	30%	0.299	S	S	.	.	H	α-helix	trans	-65.1	-43	177.6	-71.2	168.4	0	0	0	110.7	L338 M377 I378 R379 L384 L385	L338-I381 HydrophobicContact CD2-CG1 4.35Å; M377-I381 WeakPolarHBondContact O-CG1 3.49Å; M377-I381 PolarHBondContact O-N 2.69Å; I378-I381 PolarHBondContact O-N 3.08Å; R379-I381 PolarHBondContact O-N 2.93Å; I381-L384 PolarHBondContact O-N 2.86Å; I381-L385 HydrophobicContact CG2-CD1 4.07Å; I381-L385 HydrophobicContact CG2-CG 4.41Å; I381-L385 WeakPolarHBondContact O-CG 3.19Å; I381-L385 PolarHBondContact O-N 3.15Å
382	N	86	Confident	83.5	Confident	81 Å²	81	57.7 Å²	57.7	43%	0.433	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-43.6	177	-70.5	-24.3	0	0	0	111.6	I378 R379 L384 L385 N386	I378-N382 PolarHBondContact O-N 3.02Å; I378-N382 PolarHBondContact O-ND2 3.34Å; R379-N382 PolarHBondContact O-N 3.37Å; N382-L384 VanDerWaalsContact C-N 3.29Å; N382-L384 PolarHBondContact O-N 2.91Å; N382-L385 PolarHBondContact O-N 3.39Å; N382-N386 WeakPolarHBondContact O-CB 3.42Å; N382-N386 VanDerWaalsContact O-CG 3.31Å; N382-N386 PolarHBondContact O-N 2.67Å; N382-N386 PolarHBondContact O-ND2 3.32Å
383	D	84.1	Confident	82.9	Confident	29 Å²	29	59.2 Å²	59.2	16%	0.155	32%	0.318	C	S	.	.	H	α-helix	trans	-56	-44.2	173.1	-76	-8.3	0	0	0	111.2	R379 M380 N386 L387 T515 L517 I521	R379-D383 WeakPolarHBondContact O-CB 3.26Å; R379-D383 VanDerWaalsContact O-CG 3.29Å; R379-D383 PolarHBondContact O-N 3.09Å; M380-D383 PolarHBondContact O-N 3.47Å; D383-N386 PolarHBondContact O-N 3.34Å; D383-L387 WeakPolarHBondContact O-CB 3.41Å; D383-L387 PolarHBondContact O-N 3.4Å; D383-T515 PolarHBondContact OD2-OG1 2.98Å; D383-L517 HydrophobicContact CB-CB 4.08Å; D383-L517 HydrophobicContact CB-CD1 3.67Å; D383-I521 HydrophobicContact CB-CD1 3.68Å
384	L	85.1	Confident	82.1	Confident	19 Å²	19	61 Å²	61	10%	0.099	34%	0.339	C	S	.	.	H	α-helix	trans	-67.8	-40.8	178.5	-72.8	170.7	0	0	0	113.4	F330 V334 M380 I381 N382 N386 L387 S388 F501 L517	F330-L384 HydrophobicContact CE2-CD2 3.59Å; F330-L384 HydrophobicContact CZ-CD2 3.47Å; F330-L384 VanDerWaalsContact CZ-CD2 3.47Å; V334-L384 HydrophobicContact CB-CD1 4.49Å; V334-L384 HydrophobicContact CG1-CD1 3.74Å; V334-L384 HydrophobicContact CG2-CD1 4.03Å; V334-L384 HydrophobicContact CG2-CD2 3.64Å; V334-L384 HydrophobicContact CG2-CG 4.5Å; M380-L384 HydrophobicContact CG-CD1 4.19Å; M380-L384 WeakPolarHBondContact O-CB 3.2Å; M380-L384 WeakPolarHBondContact O-CG 3.45Å; M380-L384 PolarHBondContact O-N 2.89Å; I381-L384 PolarHBondContact O-N 2.86Å; N382-L384 VanDerWaalsContact C-N 3.29Å; N382-L384 PolarHBondContact O-N 2.91Å; L384-N386 VanDerWaalsContact C-N 3.33Å; L384-L387 PolarHBondContact O-N 3.44Å; L384-S388 WeakPolarHBondContact O-CB 3.36Å; L384-S388 PolarHBondContact O-N 2.89Å; L384-F501 HydrophobicContact CD2-CE2 4.45Å; L384-F501 HydrophobicContact CD2-CZ 3.83Å; L384-L517 HydrophobicContact CD2-CD1 3.89Å; L384-L517 HydrophobicContact CD2-CD2 4.37Å; L384-L517 HydrophobicContact CG-CD1 3.89Å
385	L	83	Confident	81.1	Confident	89 Å²	89	60.6 Å²	60.6	47%	0.466	33%	0.334	S	S	.	.	H	α-helix	trans	-64.7	-39.9	175.9	-73.7	173.8	0	0	0	111.2	I381 N382 R389	I381-L385 HydrophobicContact CG2-CD1 4.07Å; I381-L385 HydrophobicContact CG2-CG 4.41Å; I381-L385 WeakPolarHBondContact O-CG 3.19Å; I381-L385 PolarHBondContact O-N 3.15Å; N382-L385 PolarHBondContact O-N 3.39Å; L385-R389 VanDerWaalsContact O-CG 3.28Å; L385-R389 WeakPolarHBondContact O-CG 3.41Å; L385-R389 PolarHBondContact O-N 3.37Å; L385-R389 VanDerWaalsContact O-N 3.08Å
386	N	79.3	Confident	80.4	Confident	38 Å²	38	65.9 Å²	65.9	20%	0.203	36%	0.356	C	S	.	.	H	α-helix	trans	-62.3	-50	174.5	-74.3	-26.9	0	0	0	111	N382 D383 L384 S388 R389 M390	N382-N386 WeakPolarHBondContact O-CB 3.42Å; N382-N386 VanDerWaalsContact O-CG 3.31Å; N382-N386 PolarHBondContact O-N 2.67Å; N382-N386 PolarHBondContact O-ND2 3.32Å; D383-N386 PolarHBondContact O-N 3.34Å; L384-N386 VanDerWaalsContact C-N 3.33Å; N386-S388 VanDerWaalsContact C-N 3.33Å; N386-S388 PolarHBondContact O-N 3.25Å; N386-R389 PolarHBondContact O-N 3.26Å; N386-R389 VanDerWaalsContact O-N 3.13Å; N386-M390 WeakPolarHBondContact O-CG 3.33Å; N386-M390 PolarHBondContact O-N 3.44Å
387	L	82.5	Confident	80.4	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-58.9	-44	178.4	-163.5	78.8	0	0	0	112	F330 D383 L384 R389 M390 D391 R500 I521 E524	F330-L387 HydrophobicContact CE2-CD2 3.73Å; F330-L387 HydrophobicContact CZ-CD2 4.12Å; D383-L387 WeakPolarHBondContact O-CB 3.41Å; D383-L387 PolarHBondContact O-N 3.4Å; L384-L387 PolarHBondContact O-N 3.44Å; L387-R389 VanDerWaalsContact C-N 3.29Å; L387-R389 PolarHBondContact O-N 2.96Å; L387-M390 PolarHBondContact O-N 2.91Å; L387-D391 PolarHBondContact O-N 3.44Å; L387-R500 HydrophobicContact CD2-CG 4.06Å; L387-I521 HydrophobicContact CD1-CG1 4.13Å; L387-E524 HydrophobicContact CD1-CG 4.16Å
388	S	80.9	Confident	80.4	Confident	67 Å²	67	72.4 Å²	72.4	47%	0.469	39%	0.391	S	S	.	.	H	α-helix	trans	-64.4	-31.6	177.9	-177.1	0	0	0	0	113.2	L384 N386 S392	L384-S388 WeakPolarHBondContact O-CB 3.36Å; L384-S388 PolarHBondContact O-N 2.89Å; N386-S388 VanDerWaalsContact C-N 3.33Å; N386-S388 PolarHBondContact O-N 3.25Å; S388-S392 PolarHBondContact O-N 2.5Å; S388-S392 PolarHBondContact O-OG 2.87Å
389	R	80.9	Confident	80.6	Confident	147 Å²	147	71.9 Å²	71.9	56%	0.555	39%	0.389	S	S	*	.	H	α-helix	trans	-74.1	-35.4	176	-74.8	174.4	178.9	-174.9	0.3	111.9	L385 N386 L387 S392 A394 Q395	L385-R389 VanDerWaalsContact O-CG 3.28Å; L385-R389 WeakPolarHBondContact O-CG 3.41Å; L385-R389 PolarHBondContact O-N 3.37Å; L385-R389 VanDerWaalsContact O-N 3.08Å; N386-R389 PolarHBondContact O-N 3.26Å; N386-R389 VanDerWaalsContact O-N 3.13Å; L387-R389 VanDerWaalsContact C-N 3.29Å; L387-R389 PolarHBondContact O-N 2.96Å; R389-S392 PolarHBondContact O-OG 3.22Å; R389-A394 PolarHBondContact O-N 3.38Å; R389-Q395 HydrophobicContact CB-CB 4.35Å; R389-Q395 PolarHBondContact O-N 3.02Å
390	M	79.1	Confident	81	Confident	31 Å²	31	69.9 Å²	69.9	15%	0.153	39%	0.386	C	S	.	.	H	α-helix	trans	-66.9	-48.6	173.1	-65.9	175.6	-174.5	0	0	111.1	N386 L387 S392 G393 K445 I521 E524 V525	N386-M390 WeakPolarHBondContact O-CG 3.33Å; N386-M390 PolarHBondContact O-N 3.44Å; L387-M390 PolarHBondContact O-N 2.91Å; M390-S392 PolarHBondContact O-N 3.28Å; M390-G393 PolarHBondContact O-N 2.99Å; M390-K445 HydrophobicContact CE-CD 4.37Å; M390-I521 HydrophobicContact CE-CG2 4.25Å; M390-E524 HydrophobicContact SD-CB 3.92Å; M390-V525 HydrophobicContact CE-CG2 3.5Å; M390-V525 HydrophobicContact SD-CG2 4.1Å
391	D	76	Confident	81.3	Confident	81 Å²	81	74.8 Å²	74.8	43%	0.433	41%	0.412	S	S	.	.	H	α-helix	trans	-59.7	-31.9	179.8	-77.9	-10.8	0	0	0	113.4	L387 G393 R500	L387-D391 PolarHBondContact O-N 3.44Å; D391-G393 VanDerWaalsContact C-N 3.3Å; D391-R500 IonicContact OD1-CZ 3.57Å; D391-R500 IonicContact OD1-NH2 2.86Å; D391-R500 PolarHBondContact OD1-NH2 2.78Å; D391-R500 IonicContact OD2-CZ 2.72Å; D391-R500 VanDerWaalsContact OD2-CZ 3.25Å; D391-R500 IonicContact OD2-NH1 3.86Å; D391-R500 PolarHBondContact OD2-NH1 2.86Å; D391-R500 IonicContact OD2-NH2 3.84Å; D391-R500 PolarHBondContact OD2-NH2 3.26Å
392	S	75.3	Confident	81.5	Confident	81 Å²	81	72.6 Å²	72.6	57%	0.566	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.5	179.6	51	0	0	0	0	113.6	S388 R389 M390 A394	S388-S392 PolarHBondContact O-N 2.5Å; S388-S392 PolarHBondContact O-OG 2.87Å; R389-S392 PolarHBondContact O-OG 3.22Å; M390-S392 PolarHBondContact O-N 3.28Å; S392-A394 PolarHBondContact O-N 3.34Å; S392-A394 VanDerWaalsContact O-N 3.1Å; S392-A394 WeakPolarHBondContact OG-CB 3.39Å
393	G	71.9	Confident	81.8	Confident	66 Å²	66	69 Å²	69	68%	0.68	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	9.4	-171.5	0	0	0	0	0	113.7	M390 D391 Q395	M390-G393 PolarHBondContact O-N 2.99Å; D391-G393 VanDerWaalsContact C-N 3.3Å; G393-Q395 PolarHBondContact O-N 3.48Å
394	A	68.5	Low	82.2	Confident	74 Å²	74	67.7 Å²	67.7	61%	0.612	38%	0.376	S	S	*	.			trans	-78.4	-11.4	-176.9	0	0	0	0	0	112.7	R389 S392 Q396	R389-A394 PolarHBondContact O-N 3.38Å; S392-A394 PolarHBondContact O-N 3.34Å; S392-A394 VanDerWaalsContact O-N 3.1Å; S392-A394 WeakPolarHBondContact OG-CB 3.39Å; A394-Q396 PolarHBondContact O-N 3.37Å
395	Q	71.5	Confident	82.5	Confident	43 Å²	43	67.6 Å²	67.6	20%	0.201	38%	0.375	C	S	.	.			trans	-82.1	107.7	177.7	-169.7	174.5	-38.8	0	0	110.1	R389 G393 K445	R389-Q395 HydrophobicContact CB-CB 4.35Å; R389-Q395 PolarHBondContact O-N 3.02Å; G393-Q395 PolarHBondContact O-N 3.48Å; Q395-K445 VanDerWaalsContact NE2-NZ 3.1Å
396	Q	72.1	Confident	82.9	Confident	185 Å²	185	69.8 Å²	69.8	86%	0.864	38%	0.383	S	S	*	.			trans	-66.1	131.4	164.6	-75.7	175.5	-15.8	0	0	108.9	A394	A394-Q396 PolarHBondContact O-N 3.37Å
397	M	82.2	Confident	83.5	Confident	58 Å²	58	68.7 Å²	68.7	29%	0.286	38%	0.377	S	S	.	.			trans	-88.2	131.9	169.8	-64.5	-179.4	69.8	0	0	108.4	L399 D442 A528 H529	M397-L399 HydrophobicContact CB-CD2 4.36Å; M397-L399 HydrophobicContact CB-CG 4.12Å; M397-L399 HydrophobicContact CE-CD2 3.67Å; M397-L399 HydrophobicContact CE-CG 4.48Å; M397-L399 PolarHBondContact O-N 2.8Å; M397-D442 HydrophobicContact CE-CB 4.46Å; M397-A528 HydrophobicContact CE-CB 4.05Å; M397-A528 HydrophobicContact SD-CB 3.55Å; M397-A528 VanDerWaalsContact SD-CB 3.55Å; M397-H529 VanDerWaalsContact CE-CD2 3.47Å; M397-H529 WeakPolarHBondContact CE-CD2 3.47Å; M397-H529 WeakPolarHBondContact CE-CE1 3.37Å; M397-H529 VanDerWaalsContact CE-ND1 3.35Å; M397-H529 WeakPolarHBondContact CE-ND1 3.28Å; M397-H529 WeakPolarHBondContact CE-NE2 3.39Å
398	D	87.8	Confident	84	Confident	128 Å²	128	68.7 Å²	68.7	68%	0.684	38%	0.377	S	S	*	.			trans	-96.5	83.4	173.2	-161.8	13.4	0	0	0	108	D442	D398-D442 PolarHBondContact N-OD2 2.84Å; D398-D442 VanDerWaalsContact O-CA 3.31Å; D398-D442 WeakPolarHBondContact O-CA 3.31Å
399	L	90.9	Very high	84.6	Confident	76 Å²	76	68.2 Å²	68.2	40%	0.398	37%	0.369	S	S	.	.			trans	-79.7	125.5	-176.5	-68	177.7	0	0	0	110.3	M397 E440 D442	M397-L399 HydrophobicContact CB-CD2 4.36Å; M397-L399 HydrophobicContact CB-CG 4.12Å; M397-L399 HydrophobicContact CE-CD2 3.67Å; M397-L399 HydrophobicContact CE-CG 4.48Å; M397-L399 PolarHBondContact O-N 2.8Å; L399-E440 HydrophobicContact CB-CG 3.88Å; L399-E440 HydrophobicContact CD1-CG 4.45Å; L399-D442 HydrophobicContact CD2-CB 4.48Å
400	E	91.8	Very high	85.1	Confident	100 Å²	100	68.5 Å²	68.5	47%	0.467	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	150.4	174.1	49.2	171.1	-164.7	0	0	111.2	V402 E440 I441 T443	E400-V402 HydrophobicContact CB-CG2 4.35Å; E400-V402 HydrophobicContact CG-CG2 3.68Å; E400-V402 PolarHBondContact O-N 3.1Å; E400-E440 WeakPolarHBondContact O-CA 3.5Å; E400-I441 PolarHBondContact N-O 2.96Å; E400-I441 PolarHBondContact O-N 3.27Å; E400-T443 WeakPolarHBondContact OE1-CB 3.46Å; E400-T443 PolarHBondContact OE1-OG1 2.98Å
401	L	90.9	Very high	85.7	Confident	104 Å²	104	67 Å²	67	55%	0.545	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	112.7	176.1	-169.7	73.6	0	0	0	109.4	W438 V439 E440	L401-W438 HydrophobicContact CD1-CB 4.14Å; L401-W438 HydrophobicContact CD2-CE3 4.36Å; L401-W438 HydrophobicContact CG-CB 4.28Å; L401-W438 HydrophobicContact CG-CE3 4.07Å; L401-V439 WeakPolarHBondContact CA-O 3.45Å; L401-E440 HydrophobicContact CD1-CB 4.49Å
402	V	91.7	Very high	86.5	Confident	27 Å²	27	63.1 Å²	63.1	16%	0.164	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.9	-172.4	-178.5	0	0	0	0	110.7	E400 F404 L407 W438 V439 I441	E400-V402 HydrophobicContact CB-CG2 4.35Å; E400-V402 HydrophobicContact CG-CG2 3.68Å; E400-V402 PolarHBondContact O-N 3.1Å; V402-F404 PolarHBondContact O-N 2.7Å; V402-F404 VanDerWaalsContact O-N 3.12Å; V402-L407 HydrophobicContact CG1-CB 4.21Å; V402-W438 WeakPolarHBondContact O-CA 3.39Å; V402-V439 PolarHBondContact N-O 2.91Å; V402-V439 PolarHBondContact O-N 3.34Å; V402-I441 HydrophobicContact CB-CG1 4.47Å
403	N	91.7	Very high	87.2	Confident	7 Å²	7	63.1 Å²	63.1	4%	0.037	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	105.4	167.3	-174.3	-24.9	0	0	0	108.8	N405 E406 L407 D436 W438	N403-N405 VanDerWaalsContact C-N 3.28Å; N403-N405 PolarHBondContact O-N 3.02Å; N403-N405 WeakPolarHBondContact OD1-CB 3.44Å; N403-N405 PolarHBondContact OD1-N 2.98Å; N403-E406 HydrophobicContact CB-CB 4.3Å; N403-E406 HydrophobicContact CB-CG 4.21Å; N403-E406 PolarHBondContact O-N 2.9Å; N403-E406 PolarHBondContact OD1-N 2.65Å; N403-L407 PolarHBondContact O-N 3.24Å; N403-L407 VanDerWaalsContact O-N 3.08Å; N403-D436 VanDerWaalsContact ND2-CG 3.29Å; N403-D436 PolarHBondContact ND2-OD1 2.84Å; N403-W438 HydrophobicContact CB-CD2 4.42Å; N403-W438 HydrophobicContact CB-CE3 4.34Å; N403-W438 HydrophobicContact CB-CH2 4.15Å; N403-W438 HydrophobicContact CB-CZ2 4.2Å; N403-W438 HydrophobicContact CB-CZ3 4.22Å
404	F	92.4	Very high	88	Confident	1 Å²	1	65.1 Å²	65.1	0%	0.004	32%	0.324	C	S	.	.	H	α-helix	trans	-65.8	-32	-174.6	-160.1	-119.4	0	0	0	112.5	V402 L407 V408 L437 V439 I441 I446 I450 L471 V478 L480 I547 L549	V402-F404 PolarHBondContact O-N 2.7Å; V402-F404 VanDerWaalsContact O-N 3.12Å; F404-L407 HydrophobicContact CD2-CD2 4.27Å; F404-L407 HydrophobicContact CE2-CD2 4.34Å; F404-L407 PolarHBondContact O-N 3.3Å; F404-V408 HydrophobicContact CD1-CG2 4.01Å; F404-V408 HydrophobicContact CE1-CG2 3.75Å; F404-V408 HydrophobicContact CE2-CG2 4.27Å; F404-V408 HydrophobicContact CG-CG2 4.41Å; F404-V408 HydrophobicContact CZ-CG2 3.89Å; F404-V408 VanDerWaalsContact O-CG2 3.25Å; F404-V408 WeakPolarHBondContact O-CG2 3.42Å; F404-V408 PolarHBondContact O-N 2.86Å; F404-L437 HydrophobicContact CB-CB 4.3Å; F404-L437 VanDerWaalsContact CB-O 3.29Å; F404-L437 WeakPolarHBondContact CB-O 3.36Å; F404-L437 PolarHBondContact N-O 3.1Å; F404-V439 HydrophobicContact CB-CG1 4.48Å; F404-V439 HydrophobicContact CB-CG2 3.76Å; F404-V439 HydrophobicContact CD2-CG2 3.62Å; F404-V439 HydrophobicContact CG-CG2 3.87Å; F404-I441 HydrophobicContact CD2-CD1 3.85Å; F404-I441 HydrophobicContact CE2-CD1 4.01Å; F404-I446 HydrophobicContact CE2-CG2 3.79Å; F404-I446 HydrophobicContact CZ-CG2 4.29Å; F404-I450 HydrophobicContact CZ-CD1 4.45Å; F404-L471 HydrophobicContact CD1-CD1 3.61Å; F404-L471 HydrophobicContact CD1-CD2 4.11Å; F404-L471 HydrophobicContact CE1-CD1 3.68Å; F404-V478 HydrophobicContact CD1-CG1 3.66Å; F404-V478 HydrophobicContact CE1-CG1 3.96Å; F404-L480 HydrophobicContact CE1-CB 4.21Å; F404-I547 HydrophobicContact CZ-CD1 4.33Å; F404-L549 HydrophobicContact CE2-CD1 3.86Å; F404-L549 HydrophobicContact CZ-CD1 3.86Å
405	N	91.6	Very high	89	Confident	16 Å²	16	61.9 Å²	61.9	9%	0.086	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-49.4	177	-58.9	42.4	0	0	0	109.7	N403 V408 D409 T433 R435 L437 L471	N403-N405 VanDerWaalsContact C-N 3.28Å; N403-N405 PolarHBondContact O-N 3.02Å; N403-N405 WeakPolarHBondContact OD1-CB 3.44Å; N403-N405 PolarHBondContact OD1-N 2.98Å; N405-V408 PolarHBondContact O-N 2.8Å; N405-D409 WeakPolarHBondContact O-CB 3.45Å; N405-D409 PolarHBondContact O-N 3.02Å; N405-T433 PolarHBondContact ND2-O 3.22Å; N405-R435 PolarHBondContact ND2-O 3.47Å; N405-L437 VanDerWaalsContact OD1-CB 3.24Å; N405-L437 WeakPolarHBondContact OD1-CB 3.44Å; N405-L437 VanDerWaalsContact OD1-CG 3.31Å; N405-L437 WeakPolarHBondContact OD1-CG 3.35Å; N405-L437 PolarHBondContact OD1-N 3.36Å; N405-L437 VanDerWaalsContact OD1-N 3.16Å; N405-L471 HydrophobicContact CB-CD2 4.27Å
406	E	91.6	Very high	89.6	Confident	136 Å²	136	61.9 Å²	61.9	64%	0.636	30%	0.297	S	S	*	.	H	α-helix	trans	-64	-40.7	178.4	-67.4	-171.9	166.3	0	0	112.2	N403 D409 Y410	N403-E406 HydrophobicContact CB-CB 4.3Å; N403-E406 HydrophobicContact CB-CG 4.21Å; N403-E406 PolarHBondContact O-N 2.9Å; N403-E406 PolarHBondContact OD1-N 2.65Å; E406-D409 PolarHBondContact O-N 2.8Å; E406-Y410 VanDerWaalsContact O-CB 3.32Å; E406-Y410 WeakPolarHBondContact O-CB 3.31Å; E406-Y410 PolarHBondContact O-N 2.85Å
407	L	92.7	Very high	90.1	Very high	14 Å²	14	59.1 Å²	59.1	7%	0.073	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-48.4	177.4	179.1	61.5	0	0	0	111.6	V402 N403 F404 Y410 I411 I441 T443 M447	V402-L407 HydrophobicContact CG1-CB 4.21Å; N403-L407 PolarHBondContact O-N 3.24Å; N403-L407 VanDerWaalsContact O-N 3.08Å; F404-L407 HydrophobicContact CD2-CD2 4.27Å; F404-L407 HydrophobicContact CE2-CD2 4.34Å; F404-L407 PolarHBondContact O-N 3.3Å; L407-Y410 PolarHBondContact O-N 2.63Å; L407-I411 HydrophobicContact CD1-CD1 4.3Å; L407-I411 HydrophobicContact CG-CD1 4.16Å; L407-I411 WeakPolarHBondContact O-CD1 3.27Å; L407-I411 VanDerWaalsContact O-CG1 3.25Å; L407-I411 WeakPolarHBondContact O-CG1 3.41Å; L407-I411 PolarHBondContact O-N 2.85Å; L407-I411 VanDerWaalsContact O-N 3.14Å; L407-I441 HydrophobicContact CD2-CD1 3.51Å; L407-T443 HydrophobicContact CD1-CG2 3.61Å; L407-T443 HydrophobicContact CD2-CG2 4.19Å; L407-M447 HydrophobicContact CD1-CG 3.86Å; L407-M447 HydrophobicContact CD1-SD 4.17Å
408	V	93.5	Very high	90.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.4	-44.4	178.2	176.2	0	0	0	0	110	F404 N405 Y410 I411 L412 F432 I450 V469 L480	F404-V408 HydrophobicContact CD1-CG2 4.01Å; F404-V408 HydrophobicContact CE1-CG2 3.75Å; F404-V408 HydrophobicContact CE2-CG2 4.27Å; F404-V408 HydrophobicContact CG-CG2 4.41Å; F404-V408 HydrophobicContact CZ-CG2 3.89Å; F404-V408 VanDerWaalsContact O-CG2 3.25Å; F404-V408 WeakPolarHBondContact O-CG2 3.42Å; F404-V408 PolarHBondContact O-N 2.86Å; N405-V408 PolarHBondContact O-N 2.8Å; V408-Y410 PolarHBondContact O-N 3.49Å; V408-I411 PolarHBondContact O-N 2.98Å; V408-L412 HydrophobicContact CG1-CD1 4.06Å; V408-L412 HydrophobicContact CG1-CG 4.27Å; V408-L412 VanDerWaalsContact O-CG 3.32Å; V408-L412 WeakPolarHBondContact O-CG 3.49Å; V408-L412 PolarHBondContact O-N 2.93Å; V408-F432 HydrophobicContact CB-CZ 4.38Å; V408-F432 HydrophobicContact CG1-CE1 4.19Å; V408-F432 HydrophobicContact CG1-CE2 4.39Å; V408-F432 HydrophobicContact CG1-CZ 3.66Å; V408-I450 HydrophobicContact CG2-CD1 4.04Å; V408-V469 HydrophobicContact CG1-CG1 4.35Å; V408-L480 HydrophobicContact CG1-CD1 3.92Å; V408-L480 HydrophobicContact CG2-CD1 4.27Å; V408-L480 HydrophobicContact CG2-CD2 4.19Å
409	D	92.4	Very high	89.7	Confident	58 Å²	58	53.8 Å²	53.8	31%	0.31	26%	0.258	S	S	.	.	H	α-helix	trans	-60.1	-45	179.4	-151	55.7	0	0	0	111.9	N405 E406 I411 L412 D413 R430 F432	N405-D409 WeakPolarHBondContact O-CB 3.45Å; N405-D409 PolarHBondContact O-N 3.02Å; E406-D409 PolarHBondContact O-N 2.8Å; D409-I411 VanDerWaalsContact C-N 3.33Å; D409-I411 PolarHBondContact O-N 3.28Å; D409-L412 PolarHBondContact O-N 2.86Å; D409-L412 VanDerWaalsContact O-N 3.17Å; D409-D413 PolarHBondContact O-N 2.85Å; D409-R430 WeakPolarHBondContact OD1-CD 3.4Å; D409-R430 IonicContact OD1-CZ 3Å; D409-R430 IonicContact OD1-NE 3.67Å; D409-R430 IonicContact OD1-NH1 3.14Å; D409-R430 PolarHBondContact OD1-NH1 3.18Å; D409-R430 IonicContact OD2-NH1 2.63Å; D409-R430 PolarHBondContact OD2-NH1 2.72Å; D409-F432 HydrophobicContact CB-CE2 4.18Å
410	Y	92.1	Very high	88.9	Confident	152 Å²	152	56.1 Å²	56.1	60%	0.596	27%	0.27	S	S	*	.	H	α-helix	trans	-59.2	-40.9	175.7	175.7	-104.4	0	0	0	112.8	E406 L407 V408 M447	E406-Y410 VanDerWaalsContact O-CB 3.32Å; E406-Y410 WeakPolarHBondContact O-CB 3.31Å; E406-Y410 PolarHBondContact O-N 2.85Å; L407-Y410 PolarHBondContact O-N 2.63Å; V408-Y410 PolarHBondContact O-N 3.49Å; Y410-M447 HydrophobicContact CD1-CE 4.35Å; Y410-M447 HydrophobicContact CE1-CE 4.02Å
411	I	92	Very high	87.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-44.9	176.3	-62.5	160.1	0	0	0	110.1	L407 V408 D409 D413 R414 F415 M447 I450	L407-I411 HydrophobicContact CD1-CD1 4.3Å; L407-I411 HydrophobicContact CG-CD1 4.16Å; L407-I411 WeakPolarHBondContact O-CD1 3.27Å; L407-I411 VanDerWaalsContact O-CG1 3.25Å; L407-I411 WeakPolarHBondContact O-CG1 3.41Å; L407-I411 PolarHBondContact O-N 2.85Å; L407-I411 VanDerWaalsContact O-N 3.14Å; V408-I411 PolarHBondContact O-N 2.98Å; D409-I411 VanDerWaalsContact C-N 3.33Å; D409-I411 PolarHBondContact O-N 3.28Å; I411-D413 PolarHBondContact O-N 3.21Å; I411-R414 WeakPolarHBondContact O-CB 3.38Å; I411-R414 PolarHBondContact O-N 3.26Å; I411-F415 HydrophobicContact CG2-CD2 4.06Å; I411-F415 HydrophobicContact CG2-CE2 3.89Å; I411-F415 WeakPolarHBondContact O-CD2 3.46Å; I411-F415 PolarHBondContact O-N 2.86Å; I411-M447 HydrophobicContact CD1-CB 4.3Å; I411-M447 HydrophobicContact CD1-CG 3.72Å; I411-M447 HydrophobicContact CG1-CE 4.22Å; I411-M447 HydrophobicContact CG1-CG 3.97Å; I411-I450 HydrophobicContact CB-CG2 4.4Å; I411-I450 HydrophobicContact CD1-CB 4.05Å; I411-I450 HydrophobicContact CD1-CD1 3.54Å; I411-I450 HydrophobicContact CD1-CG1 4.37Å; I411-I450 HydrophobicContact CD1-CG2 4.12Å; I411-I450 HydrophobicContact CG2-CB 4.42Å; I411-I450 HydrophobicContact CG2-CG2 3.71Å
412	L	92.2	Very high	86.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.7	-35.2	-178.7	-66.1	-177.5	0	0	0	113	V408 D409 R414 F415 D416 I428 R430 F432 M454 V469	V408-L412 HydrophobicContact CG1-CD1 4.06Å; V408-L412 HydrophobicContact CG1-CG 4.27Å; V408-L412 VanDerWaalsContact O-CG 3.32Å; V408-L412 WeakPolarHBondContact O-CG 3.49Å; V408-L412 PolarHBondContact O-N 2.93Å; D409-L412 PolarHBondContact O-N 2.86Å; D409-L412 VanDerWaalsContact O-N 3.17Å; L412-R414 PolarHBondContact O-N 2.89Å; L412-F415 CarbonylContact O-C 3.53Å; L412-F415 WeakPolarHBondContact O-CA 3.37Å; L412-F415 WeakPolarHBondContact O-CB 3.33Å; L412-F415 PolarHBondContact O-N 3.05Å; L412-D416 PolarHBondContact O-N 3.22Å; L412-I428 HydrophobicContact CD2-CG2 4.43Å; L412-R430 HydrophobicContact CD1-CG 3.78Å; L412-F432 HydrophobicContact CD1-CE1 4.39Å; L412-F432 HydrophobicContact CD1-CZ 3.77Å; L412-M454 HydrophobicContact CD2-CE 3.75Å; L412-M454 HydrophobicContact CD2-CG 4.31Å; L412-M454 HydrophobicContact CD2-SD 3.87Å; L412-V469 HydrophobicContact CD1-CB 4.02Å; L412-V469 HydrophobicContact CD1-CG1 4.02Å; L412-V469 HydrophobicContact CD1-CG2 4.03Å; L412-V469 HydrophobicContact CD2-CG2 3.99Å
413	D	91.1	Very high	85.3	Confident	81 Å²	81	65 Å²	65	43%	0.433	31%	0.311	S	S	.	.	H	α-helix	trans	-56.6	-38.9	174.4	-79.7	-7.9	0	0	0	112	D409 I411 F415 D416 M417 R430	D409-D413 PolarHBondContact O-N 2.85Å; I411-D413 PolarHBondContact O-N 3.21Å; D413-F415 VanDerWaalsContact C-N 3.34Å; D413-D416 PolarHBondContact O-N 3.41Å; D413-M417 PolarHBondContact O-N 3.38Å; D413-R430 IonicContact OD1-CZ 3.01Å; D413-R430 VanDerWaalsContact OD1-CZ 3.26Å; D413-R430 IonicContact OD1-NH1 3.4Å; D413-R430 PolarHBondContact OD1-NH1 3.28Å; D413-R430 IonicContact OD1-NH2 3.83Å; D413-R430 PolarHBondContact OD1-NH2 3.25Å
414	R	87.9	Confident	84.3	Confident	108 Å²	108	69 Å²	69	41%	0.408	33%	0.329	S	S	.	.	H	α-helix	trans	-65.6	-38.2	175.4	-166.2	179.1	70.5	-172.7	9.1	111.9	I411 L412 M418 D451	I411-R414 WeakPolarHBondContact O-CB 3.38Å; I411-R414 PolarHBondContact O-N 3.26Å; L412-R414 PolarHBondContact O-N 2.89Å; R414-M418 PolarHBondContact O-N 2.61Å; R414-D451 IonicContact CZ-OD1 2.86Å; R414-D451 IonicContact CZ-OD2 3.44Å; R414-D451 IonicContact NH1-OD2 3.45Å; R414-D451 IonicContact NH2-OD1 3.94Å; R414-D451 PolarHBondContact NH2-OD1 3Å; R414-D451 IonicContact NH2-OD2 2.61Å; R414-D451 PolarHBondContact NH2-OD2 3.42Å
415	F	88.4	Confident	83.6	Confident	5 Å²	5	76 Å²	76	2%	0.022	37%	0.366	C	S	.	.	H	α-helix	trans	-71.6	-35.6	176.4	-81.4	-80	0	0	0	112.6	I411 L412 D413 M417 M418 V419 I428 D451 M454 I458	I411-F415 HydrophobicContact CG2-CD2 4.06Å; I411-F415 HydrophobicContact CG2-CE2 3.89Å; I411-F415 WeakPolarHBondContact O-CD2 3.46Å; I411-F415 PolarHBondContact O-N 2.86Å; L412-F415 CarbonylContact O-C 3.53Å; L412-F415 WeakPolarHBondContact O-CA 3.37Å; L412-F415 WeakPolarHBondContact O-CB 3.33Å; L412-F415 PolarHBondContact O-N 3.05Å; D413-F415 VanDerWaalsContact C-N 3.34Å; F415-M417 VanDerWaalsContact C-N 3.32Å; F415-M417 PolarHBondContact O-N 3.05Å; F415-M418 HydrophobicContact CD1-CE 3.42Å; F415-M418 VanDerWaalsContact CD1-CE 3.42Å; F415-M418 HydrophobicContact CE1-CE 3.57Å; F415-M418 PolarHBondContact O-N 2.75Å; F415-M418 VanDerWaalsContact O-N 3.13Å; F415-V419 WeakPolarHBondContact O-CB 3.39Å; F415-V419 WeakPolarHBondContact O-CG2 3.28Å; F415-V419 PolarHBondContact O-N 3.21Å; F415-I428 HydrophobicContact CB-CD1 3.77Å; F415-D451 VanDerWaalsContact CE2-OD1 3.28Å; F415-D451 WeakPolarHBondContact CE2-OD1 3.42Å; F415-M454 HydrophobicContact CB-CE 4.18Å; F415-M454 HydrophobicContact CD1-CB 4.06Å; F415-M454 HydrophobicContact CD1-CE 4.41Å; F415-M454 HydrophobicContact CD2-CB 3.99Å; F415-M454 HydrophobicContact CD2-CE 4.4Å; F415-M454 HydrophobicContact CD2-CG 4.14Å; F415-M454 HydrophobicContact CE1-CB 3.64Å; F415-M454 HydrophobicContact CE2-CB 3.55Å; F415-M454 HydrophobicContact CE2-CG 3.99Å; F415-M454 HydrophobicContact CG-CB 4.25Å; F415-M454 HydrophobicContact CG-CE 4.09Å; F415-M454 HydrophobicContact CZ-CB 3.37Å; F415-M454 HydrophobicContact CZ-CG 4.32Å; F415-I458 HydrophobicContact CD1-CD1 3.55Å; F415-I458 HydrophobicContact CE1-CD1 4.01Å
416	D	86	Confident	83.2	Confident	43 Å²	43	76.2 Å²	76.2	23%	0.23	37%	0.366	C	S	.	.	H	α-helix	trans	-60.3	-42.8	174	-85.2	-30.6	0	0	0	111.4	L412 D413 M418 V419 N420 I428 R430	L412-D416 PolarHBondContact O-N 3.22Å; D413-D416 PolarHBondContact O-N 3.41Å; D416-M418 VanDerWaalsContact C-N 3.3Å; D416-M418 PolarHBondContact O-N 3.23Å; D416-V419 PolarHBondContact O-N 3.22Å; D416-N420 WeakPolarHBondContact O-CB 3.23Å; D416-N420 PolarHBondContact O-N 3.41Å; D416-N420 PolarHBondContact O-ND2 3.16Å; D416-I428 WeakPolarHBondContact OD1-CD1 3.25Å; D416-R430 IonicContact OD2-CZ 2.77Å; D416-R430 IonicContact OD2-NE 3.88Å; D416-R430 IonicContact OD2-NH2 3.8Å; D416-R430 PolarHBondContact OD2-NH2 2.94Å
417	M	82.4	Confident	82.9	Confident	128 Å²	128	78.3 Å²	78.3	63%	0.631	37%	0.368	S	S	*	.	H	α-helix	trans	-63.2	-37.5	175	-170.1	179.6	68.8	0	0	112.1	D413 F415 N421	D413-M417 PolarHBondContact O-N 3.38Å; F415-M417 VanDerWaalsContact C-N 3.32Å; F415-M417 PolarHBondContact O-N 3.05Å; M417-N421 PolarHBondContact O-ND2 3.15Å; M417-N421 VanDerWaalsContact O-ND2 3.08Å
418	M	80.9	Confident	82.7	Confident	70 Å²	70	78.6 Å²	78.6	35%	0.345	37%	0.369	S	S	.	.	H	α-helix	trans	-70.5	-44.2	178.9	-173.7	175.6	66.1	0	0	111.9	R414 F415 D416 N421 I458	R414-M418 PolarHBondContact O-N 2.61Å; F415-M418 HydrophobicContact CD1-CE 3.42Å; F415-M418 VanDerWaalsContact CD1-CE 3.42Å; F415-M418 HydrophobicContact CE1-CE 3.57Å; F415-M418 PolarHBondContact O-N 2.75Å; F415-M418 VanDerWaalsContact O-N 3.13Å; D416-M418 VanDerWaalsContact C-N 3.3Å; D416-M418 PolarHBondContact O-N 3.23Å; M418-N421 PolarHBondContact O-N 3.28Å; M418-I458 HydrophobicContact CE-CD1 3.62Å
419	V	79.4	Confident	82.6	Confident	4 Å²	4	79.8 Å²	79.8	2%	0.024	38%	0.376	C	S	.	.	H	α-helix	trans	-62.4	-45.2	178.8	154.9	0	0	0	0	111.4	F415 D416 N421 Q422 Y426 I428 I458	F415-V419 WeakPolarHBondContact O-CB 3.39Å; F415-V419 WeakPolarHBondContact O-CG2 3.28Å; F415-V419 PolarHBondContact O-N 3.21Å; D416-V419 PolarHBondContact O-N 3.22Å; V419-N421 PolarHBondContact O-N 3.1Å; V419-N421 VanDerWaalsContact O-N 3.11Å; V419-Q422 PolarHBondContact O-N 2.83Å; V419-Y426 HydrophobicContact CG1-CD2 4.3Å; V419-Y426 HydrophobicContact CG1-CG 4.37Å; V419-Y426 HydrophobicContact CG2-CD2 4.27Å; V419-Y426 HydrophobicContact CG2-CG 4.34Å; V419-I428 HydrophobicContact CG2-CD1 4.42Å; V419-I458 HydrophobicContact CG2-CD1 4.04Å
420	N	73.9	Confident	82.6	Confident	125 Å²	125	80.2 Å²	80.2	67%	0.668	37%	0.374	S	S	*	.	H	α-helix	trans	-63.5	-18.8	-179	-74.8	-34.7	0	0	0	113.4	D416	D416-N420 WeakPolarHBondContact O-CB 3.23Å; D416-N420 PolarHBondContact O-N 3.41Å; D416-N420 PolarHBondContact O-ND2 3.16Å
421	N	68.5	Low	82.5	Confident	136 Å²	136	77.7 Å²	77.7	73%	0.727	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-3.9	176.6	-72.9	-30.9	0	0	0	113.6	M417 M418 V419	M417-N421 PolarHBondContact O-ND2 3.15Å; M417-N421 VanDerWaalsContact O-ND2 3.08Å; M418-N421 PolarHBondContact O-N 3.28Å; V419-N421 PolarHBondContact O-N 3.1Å; V419-N421 VanDerWaalsContact O-N 3.11Å
422	Q	66.2	Low	82.5	Confident	77 Å²	77	80.3 Å²	80.3	36%	0.36	38%	0.379	S	S	.	.	S	Bend	trans	-91.3	151.6	176.6	-65	-169	-4.8	0	0	111	V419 K424	V419-Q422 PolarHBondContact O-N 2.83Å; Q422-K424 PolarHBondContact O-N 3.38Å; Q422-K424 VanDerWaalsContact O-N 3.08Å
423	E	64.9	Low	82	Confident	203 Å²	203	82 Å²	82	95%	0.949	39%	0.39	S	S	*	.	S	Bend	trans	-65.6	-8.8	173.8	-68	-175.5	157.8	0	0	113.2
424	K	70.4	Confident	81.5	Confident	93 Å²	93	88 Å²	88	40%	0.404	42%	0.415	S	S	.	.	S	Bend	trans	-99.6	136.8	-173.8	-61.9	-177.6	-177.5	-172.6	0	110.9	Q422 Y426 P462	Q422-K424 PolarHBondContact O-N 3.38Å; Q422-K424 VanDerWaalsContact O-N 3.08Å; K424-Y426 HydrophobicContact CB-CD2 4.01Å; K424-Y426 HydrophobicContact CB-CE2 3.56Å; K424-Y426 HydrophobicContact CD-CE2 4.03Å; K424-Y426 HydrophobicContact CG-CE2 4.44Å; K424-Y426 PolarHBondContact O-N 3.23Å; K424-Y426 VanDerWaalsContact O-N 3.08Å; K424-P462 WeakPolarHBondContact CD-O 3.49Å; K424-P462 WeakPolarHBondContact CE-O 3.43Å; K424-P462 PolarHBondContact NZ-O 3.5Å
425	N	78.6	Confident	81.3	Confident	148 Å²	148	90.5 Å²	90.5	79%	0.791	42%	0.424	S	S	*	.			trans	-80	89.2	177.6	-65.5	-28.6	0	0	0	110.1	G465	N425-G465 PolarHBondContact O-N 3.14Å; N425-G465 VanDerWaalsContact O-N 3.16Å
426	Y	82.5	Confident	81.1	Confident	20 Å²	20	94.9 Å²	94.9	8%	0.078	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	148.9	162.9	-57.2	-91	0	0	0	110.5	V419 K424 I458 S461 G465 I467	V419-Y426 HydrophobicContact CG1-CD2 4.3Å; V419-Y426 HydrophobicContact CG1-CG 4.37Å; V419-Y426 HydrophobicContact CG2-CD2 4.27Å; V419-Y426 HydrophobicContact CG2-CG 4.34Å; K424-Y426 HydrophobicContact CB-CD2 4.01Å; K424-Y426 HydrophobicContact CB-CE2 3.56Å; K424-Y426 HydrophobicContact CD-CE2 4.03Å; K424-Y426 HydrophobicContact CG-CE2 4.44Å; K424-Y426 PolarHBondContact O-N 3.23Å; K424-Y426 VanDerWaalsContact O-N 3.08Å; Y426-I458 HydrophobicContact CE1-CG2 4.4Å; Y426-I458 HydrophobicContact CE2-CG2 4.14Å; Y426-I458 PolarHBondContact OH-O 3.07Å; Y426-S461 VanDerWaalsContact CE1-O 3.25Å; Y426-S461 WeakPolarHBondContact CE1-O 3.45Å; Y426-S461 PolarHBondContact OH-O 3.38Å; Y426-G465 WeakPolarHBondContact CA-O 3.21Å; Y426-I467 HydrophobicContact CD1-CD1 4.27Å
427	R	85.2	Confident	81.3	Confident	180 Å²	180	92.8 Å²	92.8	68%	0.679	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	112.3	171.5	-175.5	179.3	178.2	175.6	-0.9	109.3	V429 G465 K466 I467	R427-V429 HydrophobicContact CG-CG2 3.98Å; R427-G465 PolarHBondContact N-O 2.87Å; R427-K466 WeakPolarHBondContact O-CA 3.19Å; R427-I467 PolarHBondContact O-N 2.92Å
428	I	88.6	Confident	81.6	Confident	19 Å²	19	91.9 Å²	91.9	10%	0.097	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	125.4	172	-53.9	-176.7	0	0	0	107.7	L412 F415 D416 V419 R430 M454 I467 V469	L412-I428 HydrophobicContact CD2-CG2 4.43Å; F415-I428 HydrophobicContact CB-CD1 3.77Å; D416-I428 WeakPolarHBondContact OD1-CD1 3.25Å; V419-I428 HydrophobicContact CG2-CD1 4.42Å; I428-R430 HydrophobicContact CG2-CG 4.44Å; I428-M454 HydrophobicContact CD1-CE 3.91Å; I428-I467 CarbonylContact C-O 3.52Å; I428-I467 WeakPolarHBondContact CA-O 3.34Å; I428-V469 HydrophobicContact CG2-CG2 4.33Å
429	V	90.5	Very high	82.1	Confident	25 Å²	25	88.7 Å²	88.7	15%	0.152	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.5	176.8	177.4	0	0	0	0	108.5	R427 E431 K466 I467 E468 V469	R427-V429 HydrophobicContact CG-CG2 3.98Å; V429-E431 HydrophobicContact CG1-CG 4.44Å; V429-K466 HydrophobicContact CG2-CD 4.26Å; V429-K466 HydrophobicContact CG2-CG 3.99Å; V429-I467 PolarHBondContact N-O 3.49Å; V429-E468 WeakPolarHBondContact O-CA 3.37Å; V429-V469 PolarHBondContact O-N 3.08Å
430	R	92.8	Very high	82.7	Confident	68 Å²	68	94.8 Å²	94.8	26%	0.257	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.5	-176.3	-50	-179.9	-169.9	-179.9	-2	108.7	D409 L412 D413 D416 I428 F432	D409-R430 WeakPolarHBondContact OD1-CD 3.4Å; D409-R430 IonicContact OD1-CZ 3Å; D409-R430 IonicContact OD1-NE 3.67Å; D409-R430 IonicContact OD1-NH1 3.14Å; D409-R430 PolarHBondContact OD1-NH1 3.18Å; D409-R430 IonicContact OD2-NH1 2.63Å; D409-R430 PolarHBondContact OD2-NH1 2.72Å; L412-R430 HydrophobicContact CD1-CG 3.78Å; D413-R430 IonicContact OD1-CZ 3.01Å; D413-R430 VanDerWaalsContact OD1-CZ 3.26Å; D413-R430 IonicContact OD1-NH1 3.4Å; D413-R430 PolarHBondContact OD1-NH1 3.28Å; D413-R430 IonicContact OD1-NH2 3.83Å; D413-R430 PolarHBondContact OD1-NH2 3.25Å; D416-R430 IonicContact OD2-CZ 2.77Å; D416-R430 IonicContact OD2-NE 3.88Å; D416-R430 IonicContact OD2-NH2 3.8Å; D416-R430 PolarHBondContact OD2-NH2 2.94Å; I428-R430 HydrophobicContact CG2-CG 4.44Å; R430-F432 HydrophobicContact CB-CD1 4.48Å; R430-F432 HydrophobicContact CB-CE1 4Å; R430-F432 HydrophobicContact CB-CE2 4.49Å; R430-F432 HydrophobicContact CB-CZ 4Å; R430-F432 HydrophobicContact CG-CZ 4.32Å
431	E	91.2	Very high	83.6	Confident	98 Å²	98	89 Å²	89	46%	0.458	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	87.7	175.1	-70.3	-173.8	-170.5	0	0	108.9	V429 V469 H470 L471	V429-E431 HydrophobicContact CG1-CG 4.44Å; E431-V469 PolarHBondContact N-O 3.23Å; E431-H470 WeakPolarHBondContact CB-ND1 3.44Å; E431-H470 VanDerWaalsContact CD-CE1 3.47Å; E431-H470 VanDerWaalsContact O-CA 3.31Å; E431-H470 WeakPolarHBondContact O-CA 3.47Å; E431-H470 IonicContact OE2-CE1 3.16Å; E431-H470 PolarHBondContact OE2-CE1 3.48Å; E431-H470 IonicContact OE2-ND1 2.59Å; E431-H470 PolarHBondContact OE2-ND1 3.09Å; E431-L471 PolarHBondContact O-N 3.32Å
432	F	90.4	Very high	84.8	Confident	55 Å²	55	83 Å²	83	24%	0.241	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	152.2	-178.4	-57	-13.4	0	0	0	110.6	V408 D409 L412 R430 V469 L471	V408-F432 HydrophobicContact CB-CZ 4.38Å; V408-F432 HydrophobicContact CG1-CE1 4.19Å; V408-F432 HydrophobicContact CG1-CE2 4.39Å; V408-F432 HydrophobicContact CG1-CZ 3.66Å; D409-F432 HydrophobicContact CB-CE2 4.18Å; L412-F432 HydrophobicContact CD1-CE1 4.39Å; L412-F432 HydrophobicContact CD1-CZ 3.77Å; R430-F432 HydrophobicContact CB-CD1 4.48Å; R430-F432 HydrophobicContact CB-CE1 4Å; R430-F432 HydrophobicContact CB-CE2 4.49Å; R430-F432 HydrophobicContact CB-CZ 4Å; R430-F432 HydrophobicContact CG-CZ 4.32Å; F432-V469 HydrophobicContact CE1-CB 4.46Å; F432-V469 HydrophobicContact CE1-CG1 4.08Å; F432-L471 HydrophobicContact CB-CB 4.22Å; F432-L471 HydrophobicContact CD1-CB 3.53Å; F432-L471 HydrophobicContact CE1-CB 4.16Å; F432-L471 HydrophobicContact CG-CB 4.01Å; F432-L471 HydrophobicContact CG-CD2 4.45Å
433	T	83.4	Confident	86	Confident	37 Å²	37	80.5 Å²	80.5	23%	0.227	37%	0.366	C	S	.	.			trans	-59.8	146.8	164.9	-177.9	0	0	0	0	110.7	N405 R435 L437 L471	N405-T433 PolarHBondContact ND2-O 3.22Å; T433-R435 PolarHBondContact O-N 2.98Å; T433-L437 HydrophobicContact CG2-CD1 3.52Å; T433-L437 HydrophobicContact CG2-CD2 4.15Å; T433-L437 HydrophobicContact CG2-CG 3.85Å; T433-L471 PolarHBondContact N-O 3.46Å
434	E	80.1	Confident	87.3	Confident	205 Å²	205	76.8 Å²	76.8	96%	0.958	35%	0.352	S	S	*	.	S	Bend	trans	-72.4	-12.2	177.4	-65.7	-175.7	171.5	0	0	112.8
435	R	83.1	Confident	88.2	Confident	161 Å²	161	74.3 Å²	74.3	61%	0.608	34%	0.342	S	S	*	.	S	Bend	trans	-85.3	143	179	-68.7	177.6	171.3	-174.6	-10	111.3	N405 T433 L437 E473	N405-R435 PolarHBondContact ND2-O 3.47Å; T433-R435 PolarHBondContact O-N 2.98Å; R435-L437 PolarHBondContact O-N 2.91Å; R435-E473 WeakPolarHBondContact CD-OE1 3.32Å; R435-E473 IonicContact CZ-OE1 3.91Å; R435-E473 IonicContact NE-OE1 2.8Å; R435-E473 IonicContact NH1-OE1 2.69Å; R435-E473 PolarHBondContact NH1-OE1 3.39Å
436	D	84.7	Confident	89	Confident	97 Å²	97	67.2 Å²	67.2	52%	0.519	30%	0.304	S	S	.	.			trans	-73.2	120.1	170.4	-71.8	-39.3	0	0	0	110.4	N403	N403-D436 VanDerWaalsContact ND2-CG 3.29Å; N403-D436 PolarHBondContact ND2-OD1 2.84Å
437	L	89.1	Confident	89.5	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	31%	0.307	C	S	.	.			trans	-99.7	101.3	-179.2	-58.3	174	0	0	0	110	F404 N405 T433 R435 L471 E473 V478 Y551	F404-L437 HydrophobicContact CB-CB 4.3Å; F404-L437 VanDerWaalsContact CB-O 3.29Å; F404-L437 WeakPolarHBondContact CB-O 3.36Å; F404-L437 PolarHBondContact N-O 3.1Å; N405-L437 VanDerWaalsContact OD1-CB 3.24Å; N405-L437 WeakPolarHBondContact OD1-CB 3.44Å; N405-L437 VanDerWaalsContact OD1-CG 3.31Å; N405-L437 WeakPolarHBondContact OD1-CG 3.35Å; N405-L437 PolarHBondContact OD1-N 3.36Å; N405-L437 VanDerWaalsContact OD1-N 3.16Å; T433-L437 HydrophobicContact CG2-CD1 3.52Å; T433-L437 HydrophobicContact CG2-CD2 4.15Å; T433-L437 HydrophobicContact CG2-CG 3.85Å; R435-L437 PolarHBondContact O-N 2.91Å; L437-L471 HydrophobicContact CD1-CD1 4.25Å; L437-L471 HydrophobicContact CD1-CD2 3.94Å; L437-L471 HydrophobicContact CD1-CG 3.83Å; L437-E473 HydrophobicContact CD2-CB 3.85Å; L437-E473 WeakPolarHBondContact CD2-OE2 3.5Å; L437-V478 HydrophobicContact CB-CG2 3.99Å; L437-V478 HydrophobicContact CD1-CG1 3.87Å; L437-V478 HydrophobicContact CD1-CG2 3.8Å; L437-V478 HydrophobicContact CD2-CG2 4.12Å; L437-V478 HydrophobicContact CG-CG2 4.18Å; L437-Y551 HydrophobicContact CD2-CE1 4.43Å; L437-Y551 HydrophobicContact CD2-CE2 4.29Å
438	W	89.1	Confident	89.7	Confident	109 Å²	109	61 Å²	61	41%	0.413	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	119.3	175.3	-66.5	91	0	0	0	111	L401 V402 N403 Y551	L401-W438 HydrophobicContact CD1-CB 4.14Å; L401-W438 HydrophobicContact CD2-CE3 4.36Å; L401-W438 HydrophobicContact CG-CB 4.28Å; L401-W438 HydrophobicContact CG-CE3 4.07Å; V402-W438 WeakPolarHBondContact O-CA 3.39Å; N403-W438 HydrophobicContact CB-CD2 4.42Å; N403-W438 HydrophobicContact CB-CE3 4.34Å; N403-W438 HydrophobicContact CB-CH2 4.15Å; N403-W438 HydrophobicContact CB-CZ2 4.2Å; N403-W438 HydrophobicContact CB-CZ3 4.22Å; W438-Y551 VanDerWaalsContact O-CD2 3.23Å; W438-Y551 WeakPolarHBondContact O-CD2 3.43Å; W438-Y551 WeakPolarHBondContact O-CE2 3.47Å
439	V	91.2	Very high	90	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.018	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.8	179.8	-62.9	0	0	0	0	110.5	L401 V402 F404 I441 V478 Y551	L401-V439 WeakPolarHBondContact CA-O 3.45Å; V402-V439 PolarHBondContact N-O 2.91Å; V402-V439 PolarHBondContact O-N 3.34Å; F404-V439 HydrophobicContact CB-CG1 4.48Å; F404-V439 HydrophobicContact CB-CG2 3.76Å; F404-V439 HydrophobicContact CD2-CG2 3.62Å; F404-V439 HydrophobicContact CG-CG2 3.87Å; V439-I441 HydrophobicContact CB-CG2 4.23Å; V439-I441 HydrophobicContact CG2-CD1 3.87Å; V439-I441 HydrophobicContact CG2-CG1 4.03Å; V439-I441 HydrophobicContact CG2-CG2 3.8Å; V439-V478 HydrophobicContact CG1-CB 4.34Å; V439-V478 HydrophobicContact CG1-CG2 4.02Å; V439-Y551 HydrophobicContact CG1-CD2 4.07Å
440	E	91.9	Very high	90.2	Very high	132 Å²	132	59 Å²	59	62%	0.617	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	106.1	175.9	-177.5	175.3	-155.8	0	0	109.5	L399 E400 L401	L399-E440 HydrophobicContact CB-CG 3.88Å; L399-E440 HydrophobicContact CD1-CG 4.45Å; E400-E440 WeakPolarHBondContact O-CA 3.5Å; L401-E440 HydrophobicContact CD1-CB 4.49Å
441	I	93.2	Very high	90.2	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	158.8	-172.1	58.7	172	0	0	0	112.9	E400 V402 F404 L407 V439 T443 I446 L549	E400-I441 PolarHBondContact N-O 2.96Å; E400-I441 PolarHBondContact O-N 3.27Å; V402-I441 HydrophobicContact CB-CG1 4.47Å; F404-I441 HydrophobicContact CD2-CD1 3.85Å; F404-I441 HydrophobicContact CE2-CD1 4.01Å; L407-I441 HydrophobicContact CD2-CD1 3.51Å; V439-I441 HydrophobicContact CB-CG2 4.23Å; V439-I441 HydrophobicContact CG2-CD1 3.87Å; V439-I441 HydrophobicContact CG2-CG1 4.03Å; V439-I441 HydrophobicContact CG2-CG2 3.8Å; I441-T443 PolarHBondContact O-N 3.36Å; I441-I446 HydrophobicContact CB-CG1 3.89Å; I441-I446 HydrophobicContact CD1-CB 4.16Å; I441-I446 HydrophobicContact CD1-CG1 4.02Å; I441-I446 HydrophobicContact CD1-CG2 4.3Å; I441-I446 HydrophobicContact CG1-CG1 4.48Å; I441-I446 HydrophobicContact CG2-CG1 4.12Å; I441-L549 HydrophobicContact CG2-CD1 3.92Å; I441-L549 HydrophobicContact CG2-CD2 4.4Å
442	D	93.4	Very high	90.1	Very high	12 Å²	12	54.1 Å²	54.1	6%	0.064	25%	0.254	C	S	.	.			trans	-85.6	102.3	163.8	-177.3	-34.4	0	0	0	108.4	M397 D398 L399 D444 K445 I446 H529	M397-D442 HydrophobicContact CE-CB 4.46Å; D398-D442 PolarHBondContact N-OD2 2.84Å; D398-D442 VanDerWaalsContact O-CA 3.31Å; D398-D442 WeakPolarHBondContact O-CA 3.31Å; L399-D442 HydrophobicContact CD2-CB 4.48Å; D442-D444 VanDerWaalsContact C-N 3.31Å; D442-D444 PolarHBondContact O-N 3.4Å; D442-D444 PolarHBondContact OD1-N 3.26Å; D442-K445 HydrophobicContact CB-CB 4.17Å; D442-K445 HydrophobicContact CB-CG 3.99Å; D442-K445 PolarHBondContact O-N 3Å; D442-K445 VanDerWaalsContact O-N 3.09Å; D442-K445 WeakPolarHBondContact OD1-CG 3.42Å; D442-K445 PolarHBondContact OD1-N 3.45Å; D442-K445 WeakPolarHBondContact OD2-CG 3.49Å; D442-I446 PolarHBondContact O-N 2.89Å; D442-H529 PolarHBondContact N-NE2 3.35Å
443	T	92.7	Very high	90.3	Very high	24 Å²	24	51.6 Å²	51.6	15%	0.147	24%	0.243	C	C	.	.	H	α-helix	trans	-54	-45.5	-173.4	-60.6	0	0	0	0	112.2	E400 L407 I441 K445 I446 M447	E400-T443 WeakPolarHBondContact OE1-CB 3.46Å; E400-T443 PolarHBondContact OE1-OG1 2.98Å; L407-T443 HydrophobicContact CD1-CG2 3.61Å; L407-T443 HydrophobicContact CD2-CG2 4.19Å; I441-T443 PolarHBondContact O-N 3.36Å; T443-K445 VanDerWaalsContact C-N 3.3Å; T443-K445 PolarHBondContact O-N 2.93Å; T443-I446 PolarHBondContact O-N 3.38Å; T443-M447 HydrophobicContact CG2-CG 4.41Å; T443-M447 HydrophobicContact CG2-SD 4.11Å; T443-M447 VanDerWaalsContact O-CB 3.31Å; T443-M447 WeakPolarHBondContact O-CB 3.37Å; T443-M447 WeakPolarHBondContact O-CG 3.37Å; T443-M447 PolarHBondContact O-N 3.2Å
444	D	91	Very high	90.7	Very high	124 Å²	124	49.8 Å²	49.8	66%	0.663	23%	0.232	S	C	*	.	H	α-helix	trans	-62.7	-38.6	-179.3	-80.9	-17.8	0	0	0	111.6	D442 Q448	D442-D444 VanDerWaalsContact C-N 3.31Å; D442-D444 PolarHBondContact O-N 3.4Å; D442-D444 PolarHBondContact OD1-N 3.26Å; D444-Q448 PolarHBondContact O-N 3.39Å; D444-Q448 VanDerWaalsContact O-N 3.13Å
445	K	90.7	Very high	91.1	Very high	41 Å²	41	43.6 Å²	43.6	18%	0.178	21%	0.206	C	C	.	.	H	α-helix	trans	-75.4	-41.3	-178.8	-57.3	-64.6	160.5	175.5	0	112	M390 Q395 D442 T443 Q448 V449 V525	M390-K445 HydrophobicContact CE-CD 4.37Å; Q395-K445 VanDerWaalsContact NE2-NZ 3.1Å; D442-K445 HydrophobicContact CB-CB 4.17Å; D442-K445 HydrophobicContact CB-CG 3.99Å; D442-K445 PolarHBondContact O-N 3Å; D442-K445 VanDerWaalsContact O-N 3.09Å; D442-K445 WeakPolarHBondContact OD1-CG 3.42Å; D442-K445 PolarHBondContact OD1-N 3.45Å; D442-K445 WeakPolarHBondContact OD2-CG 3.49Å; T443-K445 VanDerWaalsContact C-N 3.3Å; T443-K445 PolarHBondContact O-N 2.93Å; K445-Q448 WeakPolarHBondContact O-CB 3.26Å; K445-Q448 PolarHBondContact O-N 2.87Å; K445-V449 WeakPolarHBondContact O-CG2 3.25Å; K445-V449 PolarHBondContact O-N 3.27Å; K445-V449 VanDerWaalsContact O-N 3.08Å; K445-V525 HydrophobicContact CB-CG1 3.67Å; K445-V525 HydrophobicContact CB-CG2 4.26Å
446	I	93.9	Very high	91.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-69.1	-37.3	176.9	-62.3	-59.8	0	0	0	111.1	F404 I441 D442 T443 Q448 V449 I450 V525 M526 L549	F404-I446 HydrophobicContact CE2-CG2 3.79Å; F404-I446 HydrophobicContact CZ-CG2 4.29Å; I441-I446 HydrophobicContact CB-CG1 3.89Å; I441-I446 HydrophobicContact CD1-CB 4.16Å; I441-I446 HydrophobicContact CD1-CG1 4.02Å; I441-I446 HydrophobicContact CD1-CG2 4.3Å; I441-I446 HydrophobicContact CG1-CG1 4.48Å; I441-I446 HydrophobicContact CG2-CG1 4.12Å; D442-I446 PolarHBondContact O-N 2.89Å; T443-I446 PolarHBondContact O-N 3.38Å; I446-Q448 VanDerWaalsContact C-N 3.28Å; I446-Q448 PolarHBondContact O-N 3Å; I446-V449 WeakPolarHBondContact O-CB 3.37Å; I446-V449 PolarHBondContact O-N 2.92Å; I446-V449 VanDerWaalsContact O-N 3.1Å; I446-I450 HydrophobicContact CG2-CD1 3.94Å; I446-I450 HydrophobicContact CG2-CG1 4.44Å; I446-I450 WeakPolarHBondContact O-CG1 3.37Å; I446-I450 PolarHBondContact O-N 2.92Å; I446-V525 HydrophobicContact CD1-CG1 4.18Å; I446-M526 HydrophobicContact CD1-SD 4.05Å; I446-L549 HydrophobicContact CD1-CD1 4.39Å; I446-L549 HydrophobicContact CD1-CD2 4.17Å
447	M	92.9	Very high	91.6	Very high	28 Å²	28	32.9 Å²	32.9	14%	0.138	16%	0.161	C	C	.	.	H	α-helix	trans	-54.9	-45.5	169.1	-77.9	-177.6	73.1	0	0	111.4	L407 Y410 I411 T443 V449 I450 D451	L407-M447 HydrophobicContact CD1-CG 3.86Å; L407-M447 HydrophobicContact CD1-SD 4.17Å; Y410-M447 HydrophobicContact CD1-CE 4.35Å; Y410-M447 HydrophobicContact CE1-CE 4.02Å; I411-M447 HydrophobicContact CD1-CB 4.3Å; I411-M447 HydrophobicContact CD1-CG 3.72Å; I411-M447 HydrophobicContact CG1-CE 4.22Å; I411-M447 HydrophobicContact CG1-CG 3.97Å; T443-M447 HydrophobicContact CG2-CG 4.41Å; T443-M447 HydrophobicContact CG2-SD 4.11Å; T443-M447 VanDerWaalsContact O-CB 3.31Å; T443-M447 WeakPolarHBondContact O-CB 3.37Å; T443-M447 WeakPolarHBondContact O-CG 3.37Å; T443-M447 PolarHBondContact O-N 3.2Å; M447-V449 VanDerWaalsContact C-N 3.31Å; M447-V449 PolarHBondContact O-N 2.86Å; M447-I450 PolarHBondContact O-N 2.76Å; M447-D451 VanDerWaalsContact O-CB 3.27Å; M447-D451 WeakPolarHBondContact O-CB 3.4Å; M447-D451 PolarHBondContact O-N 3Å
448	Q	91	Very high	91.5	Very high	42 Å²	42	33.4 Å²	33.4	20%	0.196	16%	0.163	C	C	.	.	H	α-helix	trans	-60.4	-38.5	176.6	-172	179.9	14.4	0	0	112.7	D444 K445 I446 N452	D444-Q448 PolarHBondContact O-N 3.39Å; D444-Q448 VanDerWaalsContact O-N 3.13Å; K445-Q448 WeakPolarHBondContact O-CB 3.26Å; K445-Q448 PolarHBondContact O-N 2.87Å; I446-Q448 VanDerWaalsContact C-N 3.28Å; I446-Q448 PolarHBondContact O-N 3Å; Q448-N452 WeakPolarHBondContact O-CB 3.42Å; Q448-N452 PolarHBondContact O-N 3.01Å; Q448-N452 PolarHBondContact O-ND2 2.82Å
449	V	94.1	Very high	91.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-51.9	176.6	172.7	0	0	0	0	110.7	K445 I446 M447 D451 N452 I453 V525 M526 I547	K445-V449 WeakPolarHBondContact O-CG2 3.25Å; K445-V449 PolarHBondContact O-N 3.27Å; K445-V449 VanDerWaalsContact O-N 3.08Å; I446-V449 WeakPolarHBondContact O-CB 3.37Å; I446-V449 PolarHBondContact O-N 2.92Å; I446-V449 VanDerWaalsContact O-N 3.1Å; M447-V449 VanDerWaalsContact C-N 3.31Å; M447-V449 PolarHBondContact O-N 2.86Å; V449-D451 VanDerWaalsContact C-N 3.32Å; V449-D451 PolarHBondContact O-N 2.81Å; V449-N452 PolarHBondContact O-N 2.8Å; V449-I453 HydrophobicContact CG1-CD1 3.99Å; V449-I453 WeakPolarHBondContact O-CG1 3.42Å; V449-I453 PolarHBondContact O-N 2.84Å; V449-I453 VanDerWaalsContact O-N 3.12Å; V449-V525 HydrophobicContact CG2-CB 3.8Å; V449-V525 HydrophobicContact CG2-CG1 3.55Å; V449-V525 HydrophobicContact CG2-CG2 4.46Å; V449-M526 HydrophobicContact CG1-CG 4.46Å; V449-M526 HydrophobicContact CG1-SD 4.37Å; V449-I547 HydrophobicContact CG1-CG2 4.03Å
450	I	94.6	Very high	91	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-64.1	-41.5	-178.2	-63.7	169	0	0	0	109.9	F404 V408 I411 I446 M447 N452 I453 M454 L480 I482 I547	F404-I450 HydrophobicContact CZ-CD1 4.45Å; V408-I450 HydrophobicContact CG2-CD1 4.04Å; I411-I450 HydrophobicContact CB-CG2 4.4Å; I411-I450 HydrophobicContact CD1-CB 4.05Å; I411-I450 HydrophobicContact CD1-CD1 3.54Å; I411-I450 HydrophobicContact CD1-CG1 4.37Å; I411-I450 HydrophobicContact CD1-CG2 4.12Å; I411-I450 HydrophobicContact CG2-CB 4.42Å; I411-I450 HydrophobicContact CG2-CG2 3.71Å; I446-I450 HydrophobicContact CG2-CD1 3.94Å; I446-I450 HydrophobicContact CG2-CG1 4.44Å; I446-I450 WeakPolarHBondContact O-CG1 3.37Å; I446-I450 PolarHBondContact O-N 2.92Å; M447-I450 PolarHBondContact O-N 2.76Å; I450-N452 VanDerWaalsContact C-N 3.34Å; I450-N452 PolarHBondContact O-N 2.89Å; I450-I453 PolarHBondContact O-N 3.45Å; I450-M454 HydrophobicContact CG2-CG 4.15Å; I450-M454 WeakPolarHBondContact O-CB 3.44Å; I450-M454 WeakPolarHBondContact O-CG 3.4Å; I450-M454 PolarHBondContact O-N 3.46Å; I450-L480 HydrophobicContact CD1-CD2 3.98Å; I450-L480 HydrophobicContact CG1-CD2 3.97Å; I450-I482 HydrophobicContact CG2-CD1 4.36Å; I450-I547 HydrophobicContact CG1-CD1 4.28Å
451	D	92	Very high	90.7	Very high	27 Å²	27	27.9 Å²	27.9	14%	0.144	14%	0.139	C	C	.	.	H	α-helix	trans	-58.9	-43.3	175.2	-77.9	-19.2	0	0	0	112.6	R414 F415 M447 V449 N455	R414-D451 IonicContact CZ-OD1 2.86Å; R414-D451 IonicContact CZ-OD2 3.44Å; R414-D451 IonicContact NH1-OD2 3.45Å; R414-D451 IonicContact NH2-OD1 3.94Å; R414-D451 PolarHBondContact NH2-OD1 3Å; R414-D451 IonicContact NH2-OD2 2.61Å; R414-D451 PolarHBondContact NH2-OD2 3.42Å; F415-D451 VanDerWaalsContact CE2-OD1 3.28Å; F415-D451 WeakPolarHBondContact CE2-OD1 3.42Å; M447-D451 VanDerWaalsContact O-CB 3.27Å; M447-D451 WeakPolarHBondContact O-CB 3.4Å; M447-D451 PolarHBondContact O-N 3Å; V449-D451 VanDerWaalsContact C-N 3.32Å; V449-D451 PolarHBondContact O-N 2.81Å; D451-N455 WeakPolarHBondContact O-CB 3.36Å; D451-N455 VanDerWaalsContact O-CG 3.25Å; D451-N455 PolarHBondContact O-N 2.9Å; D451-N455 PolarHBondContact O-ND2 3.06Å
452	N	90.8	Very high	89.9	Confident	35 Å²	35	29.8 Å²	29.8	19%	0.187	15%	0.151	C	C	.	.	H	α-helix	trans	-63.6	-42	177.8	-77.1	-19.4	0	0	0	111.7	Q448 V449 I450 N456 G518 S522	Q448-N452 WeakPolarHBondContact O-CB 3.42Å; Q448-N452 PolarHBondContact O-N 3.01Å; Q448-N452 PolarHBondContact O-ND2 2.82Å; V449-N452 PolarHBondContact O-N 2.8Å; I450-N452 VanDerWaalsContact C-N 3.34Å; I450-N452 PolarHBondContact O-N 2.89Å; N452-N456 WeakPolarHBondContact O-CB 3.43Å; N452-N456 VanDerWaalsContact O-CG 3.25Å; N452-N456 PolarHBondContact O-N 3.13Å; N452-N456 VanDerWaalsContact O-N 3.16Å; N452-N456 PolarHBondContact O-ND2 3.08Å; N452-G518 PolarHBondContact ND2-O 3.11Å; N452-G518 VanDerWaalsContact ND2-O 3.09Å; N452-S522 PolarHBondContact ND2-OG 3.12Å
453	I	93.6	Very high	89.2	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-69.2	-47.6	179.6	-62	167.9	0	0	0	110.4	V449 I450 N455 N456 A457 I482 I533 F545 I547	V449-I453 HydrophobicContact CG1-CD1 3.99Å; V449-I453 WeakPolarHBondContact O-CG1 3.42Å; V449-I453 PolarHBondContact O-N 2.84Å; V449-I453 VanDerWaalsContact O-N 3.12Å; I450-I453 PolarHBondContact O-N 3.45Å; I453-N455 PolarHBondContact O-N 3.47Å; I453-N456 WeakPolarHBondContact O-CB 3.39Å; I453-N456 PolarHBondContact O-N 3.01Å; I453-N456 VanDerWaalsContact O-N 3.11Å; I453-A457 PolarHBondContact O-N 3.03Å; I453-I482 HydrophobicContact CB-CD1 3.97Å; I453-I482 HydrophobicContact CG2-CB 3.77Å; I453-I482 HydrophobicContact CG2-CD1 3.58Å; I453-I482 HydrophobicContact CG2-CG1 4.22Å; I453-I482 HydrophobicContact CG2-CG2 3.96Å; I453-I533 HydrophobicContact CD1-CD1 4.03Å; I453-F545 HydrophobicContact CD1-CB 4.3Å; I453-F545 HydrophobicContact CG1-CB 4.44Å; I453-F545 HydrophobicContact CG2-CB 3.66Å; I453-F545 HydrophobicContact CG2-CD2 4.1Å; I453-F545 HydrophobicContact CG2-CG 3.97Å; I453-I547 HydrophobicContact CD1-CG2 3.82Å
454	M	91.9	Very high	88.7	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-42.3	179.1	-74.6	-60.3	-64.3	0	0	112.5	L412 F415 I428 I450 N456 A457 I458 I467 V469 I482	L412-M454 HydrophobicContact CD2-CE 3.75Å; L412-M454 HydrophobicContact CD2-CG 4.31Å; L412-M454 HydrophobicContact CD2-SD 3.87Å; F415-M454 HydrophobicContact CB-CE 4.18Å; F415-M454 HydrophobicContact CD1-CB 4.06Å; F415-M454 HydrophobicContact CD1-CE 4.41Å; F415-M454 HydrophobicContact CD2-CB 3.99Å; F415-M454 HydrophobicContact CD2-CE 4.4Å; F415-M454 HydrophobicContact CD2-CG 4.14Å; F415-M454 HydrophobicContact CE1-CB 3.64Å; F415-M454 HydrophobicContact CE2-CB 3.55Å; F415-M454 HydrophobicContact CE2-CG 3.99Å; F415-M454 HydrophobicContact CG-CB 4.25Å; F415-M454 HydrophobicContact CG-CE 4.09Å; F415-M454 HydrophobicContact CZ-CB 3.37Å; F415-M454 HydrophobicContact CZ-CG 4.32Å; I428-M454 HydrophobicContact CD1-CE 3.91Å; I450-M454 HydrophobicContact CG2-CG 4.15Å; I450-M454 WeakPolarHBondContact O-CB 3.44Å; I450-M454 WeakPolarHBondContact O-CG 3.4Å; I450-M454 PolarHBondContact O-N 3.46Å; M454-N456 VanDerWaalsContact C-N 3.27Å; M454-N456 PolarHBondContact O-N 2.84Å; M454-A457 PolarHBondContact O-N 3.05Å; M454-I458 WeakPolarHBondContact O-CG1 3.18Å; M454-I458 PolarHBondContact O-N 3.25Å; M454-I467 HydrophobicContact CE-CG2 4.13Å; M454-I467 HydrophobicContact SD-CG2 4.21Å; M454-V469 HydrophobicContact SD-CG2 4.28Å; M454-I482 HydrophobicContact CG-CD1 4.15Å; M454-I482 HydrophobicContact SD-CD1 4.04Å; M454-I482 HydrophobicContact SD-CG1 4.43Å; M454-I482 HydrophobicContact SD-CG2 3.73Å
455	N	88.5	Confident	88.4	Confident	74 Å²	74	31.2 Å²	31.2	40%	0.396	17%	0.165	S	C	.	.	H	α-helix	trans	-62	-36	174.1	-79.1	-50.8	0	0	0	112	D451 I453 K459	D451-N455 WeakPolarHBondContact O-CB 3.36Å; D451-N455 VanDerWaalsContact O-CG 3.25Å; D451-N455 PolarHBondContact O-N 2.9Å; D451-N455 PolarHBondContact O-ND2 3.06Å; I453-N455 PolarHBondContact O-N 3.47Å; N455-K459 WeakPolarHBondContact O-CB 3.5Å; N455-K459 PolarHBondContact O-N 2.92Å
456	N	89.3	Confident	88.3	Confident	31 Å²	31	32.4 Å²	32.4	17%	0.166	17%	0.17	C	C	.	.	H	α-helix	trans	-67.9	-44.9	174	-75.3	-23.1	0	0	0	111.7	N452 I453 M454 I458 K459 Y460	N452-N456 WeakPolarHBondContact O-CB 3.43Å; N452-N456 VanDerWaalsContact O-CG 3.25Å; N452-N456 PolarHBondContact O-N 3.13Å; N452-N456 VanDerWaalsContact O-N 3.16Å; N452-N456 PolarHBondContact O-ND2 3.08Å; I453-N456 WeakPolarHBondContact O-CB 3.39Å; I453-N456 PolarHBondContact O-N 3.01Å; I453-N456 VanDerWaalsContact O-N 3.11Å; M454-N456 VanDerWaalsContact C-N 3.27Å; M454-N456 PolarHBondContact O-N 2.84Å; N456-I458 VanDerWaalsContact C-N 3.35Å; N456-I458 PolarHBondContact O-N 3.46Å; N456-K459 PolarHBondContact O-N 3.38Å; N456-Y460 HydrophobicContact CB-CD2 4.07Å; N456-Y460 HydrophobicContact CB-CE2 4.18Å; N456-Y460 WeakPolarHBondContact O-CB 3.23Å; N456-Y460 WeakPolarHBondContact O-CD2 3.05Å; N456-Y460 PolarHBondContact O-N 3.11Å
457	A	89.9	Confident	88.3	Confident	2 Å²	2	32.4 Å²	32.4	2%	0.017	17%	0.17	C	C	.	.	H	α-helix	trans	-56.9	-46	178.6	0	0	0	0	0	112	I453 M454 S461 I467 I482 D484	I453-A457 PolarHBondContact O-N 3.03Å; M454-A457 PolarHBondContact O-N 3.05Å; A457-S461 VanDerWaalsContact O-CB 3.23Å; A457-S461 WeakPolarHBondContact O-CB 3.24Å; A457-S461 PolarHBondContact O-N 3.29Å; A457-S461 PolarHBondContact O-OG 2.94Å; A457-I467 HydrophobicContact CB-CD1 4Å; A457-I467 HydrophobicContact CB-CG1 4.43Å; A457-I467 HydrophobicContact CB-CG2 4.3Å; A457-I482 HydrophobicContact CB-CG2 4.38Å; A457-D484 HydrophobicContact CB-CB 3.88Å
458	I	86.6	Confident	88.3	Confident	11 Å²	11	33.7 Å²	33.7	6%	0.056	18%	0.176	C	C	.	.	H	α-helix	trans	-66.5	-46.5	177.2	-65.4	171	0	0	0	110.8	F415 M418 V419 Y426 M454 N456 Y460 S461 I467	F415-I458 HydrophobicContact CD1-CD1 3.55Å; F415-I458 HydrophobicContact CE1-CD1 4.01Å; M418-I458 HydrophobicContact CE-CD1 3.62Å; V419-I458 HydrophobicContact CG2-CD1 4.04Å; Y426-I458 HydrophobicContact CE1-CG2 4.4Å; Y426-I458 HydrophobicContact CE2-CG2 4.14Å; Y426-I458 PolarHBondContact OH-O 3.07Å; M454-I458 WeakPolarHBondContact O-CG1 3.18Å; M454-I458 PolarHBondContact O-N 3.25Å; N456-I458 VanDerWaalsContact C-N 3.35Å; N456-I458 PolarHBondContact O-N 3.46Å; I458-Y460 PolarHBondContact O-N 3.08Å; I458-S461 PolarHBondContact O-N 3.18Å; I458-I467 HydrophobicContact CG1-CD1 3.65Å
459	K	83.1	Confident	88.5	Confident	50 Å²	50	31.7 Å²	31.7	22%	0.217	17%	0.167	C	C	.	.	H	α-helix	trans	-66.2	-36.6	-175.5	174	172.3	161.9	163.7	0	113.8	N455 N456 Q512	N455-K459 WeakPolarHBondContact O-CB 3.5Å; N455-K459 PolarHBondContact O-N 2.92Å; N456-K459 PolarHBondContact O-N 3.38Å; K459-Q512 HydrophobicContact CD-CB 4.2Å; K459-Q512 HydrophobicContact CG-CB 4.45Å; K459-Q512 PolarHBondContact NZ-O 2.77Å
460	Y	86.4	Confident	88.5	Confident	77 Å²	77	33 Å²	33	30%	0.302	17%	0.172	S	C	.	.	H	α-helix	trans	-95.9	4.1	-178	-63.2	-60.3	0	0	0	114.1	N456 I458 P462 G486 L487	N456-Y460 HydrophobicContact CB-CD2 4.07Å; N456-Y460 HydrophobicContact CB-CE2 4.18Å; N456-Y460 WeakPolarHBondContact O-CB 3.23Å; N456-Y460 WeakPolarHBondContact O-CD2 3.05Å; N456-Y460 PolarHBondContact O-N 3.11Å; I458-Y460 PolarHBondContact O-N 3.08Å; Y460-P462 WeakPolarHBondContact O-CD 3.37Å; Y460-G486 CarbonylContact O-C 3.59Å; Y460-G486 WeakPolarHBondContact O-CA 3.36Å; Y460-L487 PolarHBondContact O-N 3.3Å
461	S	85.5	Confident	88.5	Confident	2 Å²	2	33 Å²	33	1%	0.014	17%	0.172	C	C	.	.			trans	-108.3	70.7	167.7	-57.6	0	0	0	0	109.8	Y426 A457 I458 D463 G464 G486	Y426-S461 VanDerWaalsContact CE1-O 3.25Å; Y426-S461 WeakPolarHBondContact CE1-O 3.45Å; Y426-S461 PolarHBondContact OH-O 3.38Å; A457-S461 VanDerWaalsContact O-CB 3.23Å; A457-S461 WeakPolarHBondContact O-CB 3.24Å; A457-S461 PolarHBondContact O-N 3.29Å; A457-S461 PolarHBondContact O-OG 2.94Å; I458-S461 PolarHBondContact O-N 3.18Å; S461-D463 PolarHBondContact O-N 2.9Å; S461-G464 PolarHBondContact O-N 3.37Å; S461-G486 WeakPolarHBondContact OG-CA 3.27Å; S461-G486 PolarHBondContact OG-N 3.48Å
462	P	77	Confident	88.4	Confident	42 Å²	42	37 Å²	37	27%	0.273	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.5	-170	27.7	-36.4	0	0	0	113.8	K424 Y460 G464	K424-P462 WeakPolarHBondContact CD-O 3.49Å; K424-P462 WeakPolarHBondContact CE-O 3.43Å; K424-P462 PolarHBondContact NZ-O 3.5Å; Y460-P462 WeakPolarHBondContact O-CD 3.37Å; P462-G464 VanDerWaalsContact C-N 3.28Å; P462-G464 PolarHBondContact O-N 3.13Å
463	D	79.1	Confident	88.3	Confident	160 Å²	160	38.4 Å²	38.4	86%	0.856	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	6.9	-177.3	-62	-33	0	0	0	112.9	S461	S461-D463 PolarHBondContact O-N 2.9Å
464	G	81	Confident	87.9	Confident	6 Å²	6	41.4 Å²	41.4	6%	0.062	22%	0.216	C	C	.	.			trans	82.9	-157.5	-164.7	0	0	0	0	0	110.4	S461 P462	S461-G464 PolarHBondContact O-N 3.37Å; P462-G464 VanDerWaalsContact C-N 3.28Å; P462-G464 PolarHBondContact O-N 3.13Å
465	G	84.3	Confident	87.2	Confident	24 Å²	24	50.2 Å²	50.2	25%	0.247	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130.8	-177.9	175.5	0	0	0	0	0	113.9	N425 Y426 R427	N425-G465 PolarHBondContact O-N 3.14Å; N425-G465 VanDerWaalsContact O-N 3.16Å; Y426-G465 WeakPolarHBondContact CA-O 3.21Å; R427-G465 PolarHBondContact N-O 2.87Å
466	K	89.7	Confident	87.1	Confident	65 Å²	65	54.4 Å²	54.4	28%	0.283	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	131.3	175.4	-161	-177.2	-175.4	-169	0	109.4	R427 V429 E468 E485	R427-K466 WeakPolarHBondContact O-CA 3.19Å; V429-K466 HydrophobicContact CG2-CD 4.26Å; V429-K466 HydrophobicContact CG2-CG 3.99Å; K466-E468 HydrophobicContact CD-CG 3.68Å; K466-E468 WeakPolarHBondContact CD-OE1 3.3Å; K466-E468 WeakPolarHBondContact CE-OE1 3.15Å; K466-E468 HydrophobicContact CG-CG 3.87Å; K466-E468 IonicContact NZ-OE1 2.74Å; K466-E468 PolarHBondContact NZ-OE1 3.36Å; K466-E485 HydrophobicContact CB-CG 4.47Å; K466-E485 WeakPolarHBondContact CB-OE2 3.22Å; K466-E485 PolarHBondContact N-OE2 2.99Å
467	I	92.3	Very high	87.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	112	166	-60.8	174.9	0	0	0	106.4	Y426 R427 I428 V429 M454 A457 I458 V469 I482 S483	Y426-I467 HydrophobicContact CD1-CD1 4.27Å; R427-I467 PolarHBondContact O-N 2.92Å; I428-I467 CarbonylContact C-O 3.52Å; I428-I467 WeakPolarHBondContact CA-O 3.34Å; V429-I467 PolarHBondContact N-O 3.49Å; M454-I467 HydrophobicContact CE-CG2 4.13Å; M454-I467 HydrophobicContact SD-CG2 4.21Å; A457-I467 HydrophobicContact CB-CD1 4Å; A457-I467 HydrophobicContact CB-CG1 4.43Å; A457-I467 HydrophobicContact CB-CG2 4.3Å; I458-I467 HydrophobicContact CG1-CD1 3.65Å; I467-V469 HydrophobicContact CG2-CG2 4.45Å; I467-I482 HydrophobicContact CG2-CG2 4.04Å; I467-S483 CarbonylContact C-O 3.58Å; I467-S483 VanDerWaalsContact CA-O 3.27Å; I467-S483 WeakPolarHBondContact CA-O 2.84Å
468	E	93.7	Very high	87.3	Confident	55 Å²	55	55.7 Å²	55.7	26%	0.257	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.9	-178.4	-60.6	-178.9	143.7	0	0	109.7	V429 K466 H470 I482 S483	V429-E468 WeakPolarHBondContact O-CA 3.37Å; K466-E468 HydrophobicContact CD-CG 3.68Å; K466-E468 WeakPolarHBondContact CD-OE1 3.3Å; K466-E468 WeakPolarHBondContact CE-OE1 3.15Å; K466-E468 HydrophobicContact CG-CG 3.87Å; K466-E468 IonicContact NZ-OE1 2.74Å; K466-E468 PolarHBondContact NZ-OE1 3.36Å; E468-H470 IonicContact OE2-NE2 2.8Å; E468-I482 CarbonylContact O-C 3.31Å; E468-I482 WeakPolarHBondContact O-CA 3.47Å; E468-S483 PolarHBondContact N-O 2.86Å; E468-S483 PolarHBondContact O-N 2.9Å
469	V	95.2	Very high	87.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	111.3	177.1	-171.6	0	0	0	0	108.1	V408 L412 I428 V429 E431 F432 M454 I467 L480 S481 I482	V408-V469 HydrophobicContact CG1-CG1 4.35Å; L412-V469 HydrophobicContact CD1-CB 4.02Å; L412-V469 HydrophobicContact CD1-CG1 4.02Å; L412-V469 HydrophobicContact CD1-CG2 4.03Å; L412-V469 HydrophobicContact CD2-CG2 3.99Å; I428-V469 HydrophobicContact CG2-CG2 4.33Å; V429-V469 PolarHBondContact O-N 3.08Å; E431-V469 PolarHBondContact N-O 3.23Å; F432-V469 HydrophobicContact CE1-CB 4.46Å; F432-V469 HydrophobicContact CE1-CG1 4.08Å; M454-V469 HydrophobicContact SD-CG2 4.28Å; I467-V469 HydrophobicContact CG2-CG2 4.45Å; V469-L480 HydrophobicContact CG1-CD1 3.52Å; V469-L480 HydrophobicContact CG1-CG 4.47Å; V469-S481 CarbonylContact C-O 3.56Å; V469-S481 VanDerWaalsContact CA-O 3.31Å; V469-S481 WeakPolarHBondContact CA-O 3.41Å; V469-I482 HydrophobicContact CG1-CG1 4.12Å; V469-I482 HydrophobicContact CG2-CG1 4.29Å
470	H	94.6	Very high	88.3	Confident	28 Å²	28	54.2 Å²	54.2	13%	0.13	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.7	177.7	-52.2	-94.2	0	0	0	110.2	E431 E468 M472 L480 S481	E431-H470 WeakPolarHBondContact CB-ND1 3.44Å; E431-H470 VanDerWaalsContact CD-CE1 3.47Å; E431-H470 VanDerWaalsContact O-CA 3.31Å; E431-H470 WeakPolarHBondContact O-CA 3.47Å; E431-H470 IonicContact OE2-CE1 3.16Å; E431-H470 PolarHBondContact OE2-CE1 3.48Å; E431-H470 IonicContact OE2-ND1 2.59Å; E431-H470 PolarHBondContact OE2-ND1 3.09Å; E468-H470 IonicContact OE2-NE2 2.8Å; H470-M472 HydrophobicContact CB-CE 4.37Å; H470-L480 CarbonylContact O-C 3.59Å; H470-L480 WeakPolarHBondContact O-CA 3.32Å; H470-S481 WeakPolarHBondContact CB-OG 3.32Å; H470-S481 PolarHBondContact N-O 3.09Å; H470-S481 PolarHBondContact O-N 2.85Å
471	L	93.7	Very high	88.7	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	112.5	174.7	-177.4	63.9	0	0	0	109.5	F404 N405 E431 F432 T433 L437 V478 L480	F404-L471 HydrophobicContact CD1-CD1 3.61Å; F404-L471 HydrophobicContact CD1-CD2 4.11Å; F404-L471 HydrophobicContact CE1-CD1 3.68Å; N405-L471 HydrophobicContact CB-CD2 4.27Å; E431-L471 PolarHBondContact O-N 3.32Å; F432-L471 HydrophobicContact CB-CB 4.22Å; F432-L471 HydrophobicContact CD1-CB 3.53Å; F432-L471 HydrophobicContact CE1-CB 4.16Å; F432-L471 HydrophobicContact CG-CB 4.01Å; F432-L471 HydrophobicContact CG-CD2 4.45Å; T433-L471 PolarHBondContact N-O 3.46Å; L437-L471 HydrophobicContact CD1-CD1 4.25Å; L437-L471 HydrophobicContact CD1-CD2 3.94Å; L437-L471 HydrophobicContact CD1-CG 3.83Å; L471-V478 HydrophobicContact CD1-CG1 3.52Å; L471-L480 HydrophobicContact CB-CD1 4.21Å; L471-L480 HydrophobicContact CD1-CB 3.96Å; L471-L480 HydrophobicContact CD1-CD1 4.07Å
472	M	91.2	Very high	89.2	Confident	113 Å²	113	51.2 Å²	51.2	56%	0.557	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.7	-174.2	-62.7	-174.6	172.4	0	0	111.5	H470 V479	H470-M472 HydrophobicContact CB-CE 4.37Å; M472-V479 PolarHBondContact N-O 3.48Å; M472-V479 PolarHBondContact O-N 3.26Å
473	E	87.6	Confident	90.1	Very high	63 Å²	63	50.4 Å²	50.4	29%	0.294	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	142	168.7	68.7	-180	-162.4	0	0	111	R435 L437	R435-E473 WeakPolarHBondContact CD-OE1 3.32Å; R435-E473 IonicContact CZ-OE1 3.91Å; R435-E473 IonicContact NE-OE1 2.8Å; R435-E473 IonicContact NH1-OE1 2.69Å; R435-E473 PolarHBondContact NH1-OE1 3.39Å; L437-E473 HydrophobicContact CD2-CB 3.85Å; L437-E473 WeakPolarHBondContact CD2-OE2 3.5Å
474	T	84.9	Confident	90.7	Very high	65 Å²	65	43 Å²	43	40%	0.399	22%	0.219	S	C	.	.			trans	-121	172.3	164.2	69	0	0	0	0	108.2	K476 N477 V479	T474-K476 PolarHBondContact O-N 3.43Å; T474-N477 PolarHBondContact N-O 3.34Å; T474-N477 WeakPolarHBondContact OG1-CB 3.23Å; T474-N477 PolarHBondContact OG1-N 2.87Å; T474-N477 PolarHBondContact OG1-O 3.5Å; T474-V479 HydrophobicContact CG2-CG2 4.19Å
475	H	78.6	Confident	91.1	Very high	186 Å²	186	48.6 Å²	48.6	86%	0.861	24%	0.244	S	C	*	.	S	Bend	trans	-53.7	-25.4	-174.6	-67.5	84.7	0	0	0	115.7
476	K	86.2	Confident	91.2	Very high	162 Å²	162	47.9 Å²	47.9	70%	0.704	24%	0.237	S	C	*	.	S	Bend	trans	-136.6	-5	-176.1	-67.3	-169.5	173.8	-169.3	0	114.4	T474 Y551	T474-K476 PolarHBondContact O-N 3.43Å; K476-Y551 CarbonylContact C-O 3.58Å; K476-Y551 VanDerWaalsContact C-O 3.31Å; K476-Y551 PolarHBondContact O-N 3.33Å; K476-Y551 VanDerWaalsContact O-O 3.06Å
477	N	90.1	Very high	91.1	Very high	58 Å²	58	48.5 Å²	48.5	31%	0.31	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	147.6	-173	-62	-33.5	0	0	0	110.6	T474 S548 L549	T474-N477 PolarHBondContact N-O 3.34Å; T474-N477 WeakPolarHBondContact OG1-CB 3.23Å; T474-N477 PolarHBondContact OG1-N 2.87Å; T474-N477 PolarHBondContact OG1-O 3.5Å; N477-S548 WeakPolarHBondContact CB-OG 3.38Å; N477-S548 PolarHBondContact ND2-OG 2.77Å; N477-L549 CarbonylContact C-O 3.58Å; N477-L549 WeakPolarHBondContact CA-O 3.42Å; N477-L549 WeakPolarHBondContact CB-O 3.33Å
478	V	92.3	Very high	91	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.4	162.8	167.5	0	0	0	0	108.3	F404 L437 V439 L471 S548 L549 Y551	F404-V478 HydrophobicContact CD1-CG1 3.66Å; F404-V478 HydrophobicContact CE1-CG1 3.96Å; L437-V478 HydrophobicContact CB-CG2 3.99Å; L437-V478 HydrophobicContact CD1-CG1 3.87Å; L437-V478 HydrophobicContact CD1-CG2 3.8Å; L437-V478 HydrophobicContact CD2-CG2 4.12Å; L437-V478 HydrophobicContact CG-CG2 4.18Å; V439-V478 HydrophobicContact CG1-CB 4.34Å; V439-V478 HydrophobicContact CG1-CG2 4.02Å; L471-V478 HydrophobicContact CD1-CG1 3.52Å; V478-S548 CarbonylContact O-C 3.54Å; V478-S548 WeakPolarHBondContact O-CA 3.33Å; V478-L549 PolarHBondContact N-O 3Å; V478-L549 PolarHBondContact O-N 3.48Å; V478-Y551 HydrophobicContact CG2-CD1 4.25Å; V478-Y551 HydrophobicContact CG2-CD2 3.86Å; V478-Y551 HydrophobicContact CG2-CG 3.65Å
479	V	94.6	Very high	90.8	Very high	28 Å²	28	47.4 Å²	47.4	17%	0.17	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	118.8	179.8	-177.3	0	0	0	0	109.2	M472 T474 W534 Y546 I547	M472-V479 PolarHBondContact N-O 3.48Å; M472-V479 PolarHBondContact O-N 3.26Å; T474-V479 HydrophobicContact CG2-CG2 4.19Å; V479-W534 HydrophobicContact CG1-CH2 4.39Å; V479-Y546 HydrophobicContact CG1-CD1 4.28Å; V479-I547 CarbonylContact C-O 3.48Å; V479-I547 VanDerWaalsContact CA-O 3.31Å; V479-I547 WeakPolarHBondContact CA-O 3.45Å
480	L	95.6	Very high	90.5	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.8	170.2	174.6	79.3	0	0	0	108.6	F404 V408 I450 V469 H470 L471 I482 Y546 I547	F404-L480 HydrophobicContact CE1-CB 4.21Å; V408-L480 HydrophobicContact CG1-CD1 3.92Å; V408-L480 HydrophobicContact CG2-CD1 4.27Å; V408-L480 HydrophobicContact CG2-CD2 4.19Å; I450-L480 HydrophobicContact CD1-CD2 3.98Å; I450-L480 HydrophobicContact CG1-CD2 3.97Å; V469-L480 HydrophobicContact CG1-CD1 3.52Å; V469-L480 HydrophobicContact CG1-CG 4.47Å; H470-L480 CarbonylContact O-C 3.59Å; H470-L480 WeakPolarHBondContact O-CA 3.32Å; L471-L480 HydrophobicContact CB-CD1 4.21Å; L471-L480 HydrophobicContact CD1-CB 3.96Å; L471-L480 HydrophobicContact CD1-CD1 4.07Å; L480-I482 HydrophobicContact CD2-CD1 4.36Å; L480-Y546 CarbonylContact O-C 3.42Å; L480-Y546 WeakPolarHBondContact O-CA 3.49Å; L480-I547 HydrophobicContact CB-CD1 4.02Å; L480-I547 HydrophobicContact CB-CG1 3.59Å; L480-I547 HydrophobicContact CD2-CD1 3.59Å; L480-I547 HydrophobicContact CD2-CG1 4.01Å; L480-I547 HydrophobicContact CG-CD1 4.35Å; L480-I547 HydrophobicContact CG-CG1 4.24Å; L480-I547 PolarHBondContact N-O 3.06Å; L480-I547 PolarHBondContact O-N 3.45Å
481	S	96.3	Very high	90.3	Very high	14 Å²	14	55.6 Å²	55.6	10%	0.098	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.9	172.1	70.7	0	0	0	0	111.1	V469 H470 F545 Y546	V469-S481 CarbonylContact C-O 3.56Å; V469-S481 VanDerWaalsContact CA-O 3.31Å; V469-S481 WeakPolarHBondContact CA-O 3.41Å; H470-S481 WeakPolarHBondContact CB-OG 3.32Å; H470-S481 PolarHBondContact N-O 3.09Å; H470-S481 PolarHBondContact O-N 2.85Å; S481-F545 CarbonylContact C-O 3.58Å; S481-F545 VanDerWaalsContact CA-O 3.27Å; S481-F545 WeakPolarHBondContact CA-O 3.12Å; S481-Y546 VanDerWaalsContact CB-CD1 3.46Å
482	I	95.8	Very high	90.1	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.015	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	110.9	175.5	-60.9	168.8	0	0	0	107.2	I450 I453 M454 A457 I467 E468 V469 L480 T544 F545	I450-I482 HydrophobicContact CG2-CD1 4.36Å; I453-I482 HydrophobicContact CB-CD1 3.97Å; I453-I482 HydrophobicContact CG2-CB 3.77Å; I453-I482 HydrophobicContact CG2-CD1 3.58Å; I453-I482 HydrophobicContact CG2-CG1 4.22Å; I453-I482 HydrophobicContact CG2-CG2 3.96Å; M454-I482 HydrophobicContact CG-CD1 4.15Å; M454-I482 HydrophobicContact SD-CD1 4.04Å; M454-I482 HydrophobicContact SD-CG1 4.43Å; M454-I482 HydrophobicContact SD-CG2 3.73Å; A457-I482 HydrophobicContact CB-CG2 4.38Å; I467-I482 HydrophobicContact CG2-CG2 4.04Å; E468-I482 CarbonylContact O-C 3.31Å; E468-I482 WeakPolarHBondContact O-CA 3.47Å; V469-I482 HydrophobicContact CG1-CG1 4.12Å; V469-I482 HydrophobicContact CG2-CG1 4.29Å; L480-I482 HydrophobicContact CD2-CD1 4.36Å; I482-T544 WeakPolarHBondContact O-CA 3.31Å; I482-F545 PolarHBondContact N-O 3.34Å; I482-F545 PolarHBondContact O-N 3.46Å
483	S	95	Very high	90	Very high	24 Å²	24	58.3 Å²	58.3	17%	0.168	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.9	-179.4	-157.1	0	0	0	0	111	I467 E468 S543 T544	I467-S483 CarbonylContact C-O 3.58Å; I467-S483 VanDerWaalsContact CA-O 3.27Å; I467-S483 WeakPolarHBondContact CA-O 2.84Å; E468-S483 PolarHBondContact N-O 2.86Å; E468-S483 PolarHBondContact O-N 2.9Å; S483-S543 CarbonylContact C-O 3.58Å; S483-S543 WeakPolarHBondContact CA-O 3.32Å; S483-T544 PolarHBondContact OG-OG1 3.38Å
484	D	92.5	Very high	90.1	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.032	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	152.5	174.2	74.1	77.7	0	0	0	111.2	A457 G486 G542 S543	A457-D484 HydrophobicContact CB-CB 3.88Å; D484-G486 VanDerWaalsContact C-N 3.33Å; D484-G486 VanDerWaalsContact OD1-CA 3.3Å; D484-G486 WeakPolarHBondContact OD1-CA 3.43Å; D484-G486 PolarHBondContact OD1-N 2.72Å; D484-G542 WeakPolarHBondContact O-CA 3.49Å; D484-S543 PolarHBondContact N-O 3.35Å; D484-S543 PolarHBondContact O-N 3.34Å; D484-S543 PolarHBondContact OD1-N 3.47Å; D484-S543 VanDerWaalsContact OD2-CB 3.32Å; D484-S543 WeakPolarHBondContact OD2-CB 3.11Å; D484-S543 PolarHBondContact OD2-N 2.97Å; D484-S543 VanDerWaalsContact OD2-O 3.14Å
485	E	89.5	Confident	90.1	Very high	122 Å²	122	62.3 Å²	62.3	57%	0.57	30%	0.304	S	S	*	.			trans	-97.6	34.1	174.4	-66.3	-177.5	138.2	0	0	112.1	K466	K466-E485 HydrophobicContact CB-CG 4.47Å; K466-E485 WeakPolarHBondContact CB-OE2 3.22Å; K466-E485 PolarHBondContact N-OE2 2.99Å
486	G	86.2	Confident	90.5	Very high	10 Å²	10	58 Å²	58	10%	0.103	28%	0.282	C	S	.	.	S	Bend	trans	-88.3	-155.6	-171.7	0	0	0	0	0	115.7	Y460 S461 D484 G488 G542	Y460-G486 CarbonylContact O-C 3.59Å; Y460-G486 WeakPolarHBondContact O-CA 3.36Å; S461-G486 WeakPolarHBondContact OG-CA 3.27Å; S461-G486 PolarHBondContact OG-N 3.48Å; D484-G486 VanDerWaalsContact C-N 3.33Å; D484-G486 VanDerWaalsContact OD1-CA 3.3Å; D484-G486 WeakPolarHBondContact OD1-CA 3.43Å; D484-G486 PolarHBondContact OD1-N 2.72Å; G486-G488 PolarHBondContact O-N 2.97Å; G486-G542 WeakPolarHBondContact O-CA 3.35Å; G486-G542 PolarHBondContact O-N 2.71Å; G486-G542 VanDerWaalsContact O-N 3.1Å
487	L	87.1	Confident	90.6	Very high	78 Å²	78	50.9 Å²	50.9	41%	0.408	25%	0.253	S	S	.	.	S	Bend	trans	-64.1	-22.8	-177.7	-64.9	164.9	0	0	0	113.6	Y460 G540	Y460-L487 PolarHBondContact O-N 3.3Å; L487-G540 PolarHBondContact O-N 3.08Å
488	G	89.8	Confident	90.7	Very high	16 Å²	16	49.1 Å²	49.1	17%	0.165	24%	0.242	C	C	.	.			trans	68.8	177.7	-172.7	0	0	0	0	0	114.3	G486 S537	G486-G488 PolarHBondContact O-N 2.97Å; G488-S537 WeakPolarHBondContact CA-OG 3.22Å
489	I	89.7	Confident	90.3	Very high	15 Å²	15	53.8 Å²	53.8	8%	0.077	26%	0.264	C	S	.	.			trans	-121.7	128.4	-177.1	-56.9	167.6	0	0	0	108.3	D493 L494 V497 V504 V535 S537 F545	I489-D493 HydrophobicContact CG2-CB 4.04Å; I489-L494 HydrophobicContact CB-CD2 3.96Å; I489-L494 HydrophobicContact CG2-CD2 3.91Å; I489-L494 HydrophobicContact CG2-CG 4.42Å; I489-V497 HydrophobicContact CD1-CG1 4.16Å; I489-V497 HydrophobicContact CG2-CG1 3.92Å; I489-V504 HydrophobicContact CG2-CG2 4.11Å; I489-V535 HydrophobicContact CD1-CG1 4.46Å; I489-V535 HydrophobicContact CD1-CG2 3.92Å; I489-S537 PolarHBondContact N-OG 2.79Å; I489-F545 HydrophobicContact CD1-CZ 4.04Å
490	P	90	Very high	89.8	Confident	19 Å²	19	56.1 Å²	56.1	12%	0.123	27%	0.27	C	S	.	.			trans	-60.6	143.9	174.2	-22.6	33.5	0	0	0	111.9	K492 D493 L494 V504	P490-K492 HydrophobicContact CB-CG 4.01Å; P490-K492 PolarHBondContact O-N 3.37Å; P490-D493 PolarHBondContact O-N 3.16Å; P490-L494 PolarHBondContact O-N 2.99Å; P490-V504 HydrophobicContact CG-CG1 4.05Å
491	K	89.6	Confident	89.1	Confident	181 Å²	181	56.9 Å²	56.9	79%	0.787	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-52.4	-37.1	-177.1	-72.1	-170.9	175.6	-171.8	0	114.5	D493 L494	K491-D493 PolarHBondContact O-N 2.59Å; K491-L494 HydrophobicContact CB-CD1 4.5Å; K491-L494 HydrophobicContact CG-CD1 4.47Å
492	K	89	Confident	88.5	Confident	160 Å²	160	58.7 Å²	58.7	70%	0.696	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-65.4	-17.6	178.9	53.6	161.8	-170.5	-177.7	0	114.3	P490	P490-K492 HydrophobicContact CB-CG 4.01Å; P490-K492 PolarHBondContact O-N 3.37Å
493	D	89.3	Confident	87.8	Confident	12 Å²	12	59.8 Å²	59.8	6%	0.064	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-109.6	-9.7	-171.9	-56.1	-31.6	0	0	0	111.8	I489 P490 K491 E495 K496 V497 Y502 V504	I489-D493 HydrophobicContact CG2-CB 4.04Å; P490-D493 PolarHBondContact O-N 3.16Å; K491-D493 PolarHBondContact O-N 2.59Å; D493-E495 VanDerWaalsContact C-N 3.33Å; D493-E495 PolarHBondContact O-N 2.92Å; D493-K496 PolarHBondContact O-N 2.87Å; D493-V497 VanDerWaalsContact O-CG1 3.23Å; D493-V497 WeakPolarHBondContact O-CG1 3.3Å; D493-V497 PolarHBondContact O-N 3.2Å; D493-Y502 HydrophobicContact CB-CE1 4.15Å; D493-Y502 VanDerWaalsContact CB-OH 3.3Å; D493-Y502 WeakPolarHBondContact CB-OH 3.32Å; D493-Y502 PolarHBondContact OD1-OH 2.98Å; D493-V504 HydrophobicContact CB-CG2 4.12Å
494	L	89.2	Confident	87.1	Confident	37 Å²	37	61.9 Å²	61.9	19%	0.194	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-40.1	-176.5	-70.8	172.6	0	0	0	113.7	I489 P490 K491 V497 V535	I489-L494 HydrophobicContact CB-CD2 3.96Å; I489-L494 HydrophobicContact CG2-CD2 3.91Å; I489-L494 HydrophobicContact CG2-CG 4.42Å; P490-L494 PolarHBondContact O-N 2.99Å; K491-L494 HydrophobicContact CB-CD1 4.5Å; K491-L494 HydrophobicContact CG-CD1 4.47Å; L494-V497 WeakPolarHBondContact O-CG2 3.2Å; L494-V535 HydrophobicContact CD2-CG1 4Å
495	E	85.6	Confident	86.2	Confident	174 Å²	174	64.8 Å²	64.8	81%	0.813	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-31.7	178	-67.6	178.9	177.9	0	0	111.7	D493	D493-E495 VanDerWaalsContact C-N 3.33Å; D493-E495 PolarHBondContact O-N 2.92Å
496	K	86.5	Confident	84.9	Confident	96 Å²	96	65.5 Å²	65.5	42%	0.417	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-79.6	-20.2	-173.6	-56	-168.7	175.7	-175	0	113.2	D493 F498 E499 Y502	D493-K496 PolarHBondContact O-N 2.87Å; K496-F498 PolarHBondContact O-N 3.43Å; K496-E499 VanDerWaalsContact O-CB 3.25Å; K496-E499 WeakPolarHBondContact O-CB 3.21Å; K496-E499 PolarHBondContact O-N 3.28Å; K496-Y502 HydrophobicContact CB-CD1 4Å; K496-Y502 HydrophobicContact CB-CD2 3.7Å; K496-Y502 HydrophobicContact CB-CE1 3.8Å; K496-Y502 HydrophobicContact CB-CE2 3.49Å; K496-Y502 VanDerWaalsContact CB-CE2 3.49Å; K496-Y502 HydrophobicContact CB-CG 3.95Å; K496-Y502 HydrophobicContact CD-CD2 4.48Å; K496-Y502 HydrophobicContact CD-CE2 3.77Å; K496-Y502 HydrophobicContact CG-CE2 4.26Å; K496-Y502 WeakPolarHBondContact O-CB 3.23Å; K496-Y502 VanDerWaalsContact O-CD1 3.24Å; K496-Y502 WeakPolarHBondContact O-CD1 3.2Å
497	V	89.8	Confident	83.5	Confident	13 Å²	13	68.3 Å²	68.3	8%	0.079	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-61.4	-18.7	-179.9	-59.1	0	0	0	0	114.3	I489 D493 L494 Y502 V504 L519 V535	I489-V497 HydrophobicContact CD1-CG1 4.16Å; I489-V497 HydrophobicContact CG2-CG1 3.92Å; D493-V497 VanDerWaalsContact O-CG1 3.23Å; D493-V497 WeakPolarHBondContact O-CG1 3.3Å; D493-V497 PolarHBondContact O-N 3.2Å; L494-V497 WeakPolarHBondContact O-CG2 3.2Å; V497-Y502 HydrophobicContact CG1-CD1 4.44Å; V497-Y502 HydrophobicContact CG1-CE1 4.33Å; V497-V504 HydrophobicContact CG1-CG2 4.16Å; V497-L519 HydrophobicContact CB-CD1 4.1Å; V497-L519 HydrophobicContact CG2-CD1 4.2Å; V497-V535 HydrophobicContact CG2-CG1 3.96Å
498	F	90.6	Very high	82.2	Confident	20 Å²	20	72.1 Å²	72.1	9%	0.088	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-91.3	-3.5	174.3	-59.8	-74.9	0	0	0	113.7	K496 L519 K523 I533 V535 F545	K496-F498 PolarHBondContact O-N 3.43Å; F498-L519 HydrophobicContact CD1-CB 4.1Å; F498-L519 HydrophobicContact CE1-CB 4.49Å; F498-L519 HydrophobicContact CE1-CD2 4.46Å; F498-K523 HydrophobicContact CB-CD 3.58Å; F498-K523 HydrophobicContact CD1-CB 4.25Å; F498-K523 HydrophobicContact CD1-CD 4.41Å; F498-K523 HydrophobicContact CG-CD 4.1Å; F498-I533 HydrophobicContact CD1-CG2 4.27Å; F498-I533 HydrophobicContact CE1-CB 4.4Å; F498-I533 HydrophobicContact CE1-CD1 3.84Å; F498-I533 HydrophobicContact CE1-CG1 3.72Å; F498-I533 HydrophobicContact CE1-CG2 3.9Å; F498-I533 HydrophobicContact CZ-CG1 4.02Å; F498-I533 HydrophobicContact CZ-CG2 4.48Å; F498-V535 HydrophobicContact CE2-CG1 3.98Å; F498-V535 HydrophobicContact CZ-CB 4.38Å; F498-V535 HydrophobicContact CZ-CG1 4.29Å; F498-F545 HydrophobicContact CZ-CD1 4.42Å; F498-F545 HydrophobicContact CZ-CE1 4.35Å
499	E	85	Confident	80.7	Confident	100 Å²	100	71.6 Å²	71.6	47%	0.467	34%	0.336	S	S	.	.	S	Bend	trans	-72.5	148.6	172.7	-67	173.8	-165.2	0	0	111	K496 F501 Y502	K496-E499 VanDerWaalsContact O-CB 3.25Å; K496-E499 WeakPolarHBondContact O-CB 3.21Å; K496-E499 PolarHBondContact O-N 3.28Å; E499-F501 PolarHBondContact O-N 3.28Å; E499-Y502 WeakPolarHBondContact O-CB 3.25Å; E499-Y502 PolarHBondContact O-N 3.35Å
500	R	84.4	Confident	79	Confident	76 Å²	76	76 Å²	76	29%	0.287	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	130	179.9	-57.5	169.9	-171.6	-151.6	-5.2	109.7	L387 D391 Y502 L517 A520	L387-R500 HydrophobicContact CD2-CG 4.06Å; D391-R500 IonicContact OD1-CZ 3.57Å; D391-R500 IonicContact OD1-NH2 2.86Å; D391-R500 PolarHBondContact OD1-NH2 2.78Å; D391-R500 IonicContact OD2-CZ 2.72Å; D391-R500 VanDerWaalsContact OD2-CZ 3.25Å; D391-R500 IonicContact OD2-NH1 3.86Å; D391-R500 PolarHBondContact OD2-NH1 2.86Å; D391-R500 IonicContact OD2-NH2 3.84Å; D391-R500 PolarHBondContact OD2-NH2 3.26Å; R500-Y502 PolarHBondContact O-N 2.65Å; R500-L517 HydrophobicContact CB-CD2 4.41Å; R500-A520 HydrophobicContact CG-CB 4.09Å
501	F	81	Confident	77.2	Confident	18 Å²	18	83.6 Å²	83.6	8%	0.079	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	8.3	-179	-54.6	-78.5	0	0	0	115.5	F330 N333 V334 E337 L384 E499 G516 L517	F330-F501 AromaticContact CD2-CE2 3.91Å; F330-F501 HydrophobicContact CD2-CE2 3.91Å; F330-F501 AromaticContact CE2-CE2 3.95Å; F330-F501 HydrophobicContact CE2-CE2 3.95Å; N333-F501 HydrophobicContact CB-CD2 3.58Å; N333-F501 HydrophobicContact CB-CE2 3.84Å; N333-F501 HydrophobicContact CB-CG 4.22Å; V334-F501 HydrophobicContact CB-CZ 4.25Å; V334-F501 HydrophobicContact CG2-CE2 3.76Å; V334-F501 HydrophobicContact CG2-CZ 3.55Å; E337-F501 HydrophobicContact CB-CD1 4.26Å; E337-F501 HydrophobicContact CB-CE1 4.02Å; E337-F501 HydrophobicContact CG-CD1 3.72Å; E337-F501 HydrophobicContact CG-CE1 3.99Å; E337-F501 HydrophobicContact CG-CG 4.43Å; L384-F501 HydrophobicContact CD2-CE2 4.45Å; L384-F501 HydrophobicContact CD2-CZ 3.83Å; E499-F501 PolarHBondContact O-N 3.28Å; F501-G516 WeakPolarHBondContact CA-O 3.34Å; F501-G516 PolarHBondContact N-O 3.17Å; F501-L517 HydrophobicContact CD1-CD2 4.06Å; F501-L517 HydrophobicContact CD1-CG 4.24Å; F501-L517 HydrophobicContact CD2-CD2 4.23Å; F501-L517 HydrophobicContact CE1-CD1 4.02Å; F501-L517 HydrophobicContact CE1-CD2 3.92Å; F501-L517 HydrophobicContact CE1-CG 4.06Å; F501-L517 HydrophobicContact CE2-CD2 4.08Å; F501-L517 HydrophobicContact CG-CD2 4.25Å; F501-L517 HydrophobicContact CZ-CD1 4.35Å; F501-L517 HydrophobicContact CZ-CD2 3.95Å
502	Y	83.1	Confident	75.7	Confident	53 Å²	53	79.1 Å²	79.1	21%	0.208	37%	0.367	C	S	.	.			trans	-75.9	139.6	-179.9	-173.4	-84.6	0	0	0	111.7	D493 K496 V497 E499 R500 V504	D493-Y502 HydrophobicContact CB-CE1 4.15Å; D493-Y502 VanDerWaalsContact CB-OH 3.3Å; D493-Y502 WeakPolarHBondContact CB-OH 3.32Å; D493-Y502 PolarHBondContact OD1-OH 2.98Å; K496-Y502 HydrophobicContact CB-CD1 4Å; K496-Y502 HydrophobicContact CB-CD2 3.7Å; K496-Y502 HydrophobicContact CB-CE1 3.8Å; K496-Y502 HydrophobicContact CB-CE2 3.49Å; K496-Y502 VanDerWaalsContact CB-CE2 3.49Å; K496-Y502 HydrophobicContact CB-CG 3.95Å; K496-Y502 HydrophobicContact CD-CD2 4.48Å; K496-Y502 HydrophobicContact CD-CE2 3.77Å; K496-Y502 HydrophobicContact CG-CE2 4.26Å; K496-Y502 WeakPolarHBondContact O-CB 3.23Å; K496-Y502 VanDerWaalsContact O-CD1 3.24Å; K496-Y502 WeakPolarHBondContact O-CD1 3.2Å; V497-Y502 HydrophobicContact CG1-CD1 4.44Å; V497-Y502 HydrophobicContact CG1-CE1 4.33Å; E499-Y502 WeakPolarHBondContact O-CB 3.25Å; E499-Y502 PolarHBondContact O-N 3.35Å; R500-Y502 PolarHBondContact O-N 2.65Å; Y502-V504 HydrophobicContact CE1-CG2 4.31Å
503	R	81	Confident	74.3	Confident	26 Å²	26	72.9 Å²	72.9	10%	0.098	35%	0.348	C	S	.	.			trans	-149.4	127.5	-178.9	-49.7	179.5	78.2	168.1	12.4	108.9	D505 A509 G514	R503-D505 PolarHBondContact O-N 2.84Å; R503-A509 VanDerWaalsContact NE-CB 3.3Å; R503-A509 PolarHBondContact NH2-O 3.24Å; R503-G514 PolarHBondContact NH1-O 3.27Å; R503-G514 VanDerWaalsContact NH2-CA 3.25Å; R503-G514 PolarHBondContact NH2-O 3.11Å
504	V	80.4	Confident	73.3	Confident	68 Å²	68	73.1 Å²	73.1	41%	0.412	35%	0.353	S	S	.	.	S	Bend	trans	-57.7	-46	179.8	179	0	0	0	0	111.5	I489 P490 D493 V497 Y502	I489-V504 HydrophobicContact CG2-CG2 4.11Å; P490-V504 HydrophobicContact CG-CG1 4.05Å; D493-V504 HydrophobicContact CB-CG2 4.12Å; V497-V504 HydrophobicContact CG1-CG2 4.16Å; Y502-V504 HydrophobicContact CE1-CG2 4.31Å
505	D	72.6	Confident	72.5	Confident	67 Å²	67	72.2 Å²	72.2	36%	0.358	35%	0.349	S	S	.	.			trans	-126.1	101.2	175.8	-172.3	-12.4	0	0	0	110.9	R503 A507 R508 A509	R503-D505 PolarHBondContact O-N 2.84Å; D505-A507 PolarHBondContact O-N 3.42Å; D505-A507 WeakPolarHBondContact OD1-CB 3.48Å; D505-A507 PolarHBondContact OD1-N 3.03Å; D505-R508 PolarHBondContact OD1-N 3.4Å; D505-R508 VanDerWaalsContact OD2-CD 3.31Å; D505-R508 WeakPolarHBondContact OD2-CD 3.07Å; D505-R508 WeakPolarHBondContact OD2-CG 3.3Å; D505-R508 IonicContact OD2-NE 3.82Å; D505-A509 WeakPolarHBondContact O-CB 3.24Å; D505-A509 PolarHBondContact O-N 3.46Å; D505-A509 VanDerWaalsContact O-N 3.17Å
506	K	63.9	Low	72.2	Confident	137 Å²	137	64.9 Å²	64.9	60%	0.596	32%	0.32	S	S	*	.	H	α-helix	trans	-61.9	-25.6	179.7	-68.9	-174.2	179.8	-176.7	0	113	R510	K506-R510 PolarHBondContact O-NH1 3.31Å
507	A	55.5	Low	72.1	Confident	68 Å²	68	60.3 Å²	60.3	56%	0.562	30%	0.3	S	S	*	.	H	α-helix	trans	-80.4	-53.5	-175.1	0	0	0	0	0	111.6	D505	D505-A507 PolarHBondContact O-N 3.42Å; D505-A507 WeakPolarHBondContact OD1-CB 3.48Å; D505-A507 PolarHBondContact OD1-N 3.03Å
508	R	60.3	Low	71.9	Confident	159 Å²	159	60.4 Å²	60.4	60%	0.6	30%	0.304	S	S	*	.	H	α-helix	trans	-67.3	-38	179.1	-72.3	-179.2	179.3	-171.2	-0.3	112.4	D505 R510 Q511	D505-R508 PolarHBondContact OD1-N 3.4Å; D505-R508 VanDerWaalsContact OD2-CD 3.31Å; D505-R508 WeakPolarHBondContact OD2-CD 3.07Å; D505-R508 WeakPolarHBondContact OD2-CG 3.3Å; D505-R508 IonicContact OD2-NE 3.82Å; R508-R510 VanDerWaalsContact C-N 3.32Å; R508-R510 PolarHBondContact O-N 3.26Å; R508-Q511 PolarHBondContact O-N 2.89Å
509	A	57.9	Low	71.9	Confident	5 Å²	5	60.5 Å²	60.5	4%	0.041	31%	0.305	C	S	.	.	H	α-helix	trans	-71.2	-28.4	-171	0	0	0	0	0	112	R503 D505 Q511 Q512 G513	R503-A509 VanDerWaalsContact NE-CB 3.3Å; R503-A509 PolarHBondContact NH2-O 3.24Å; D505-A509 WeakPolarHBondContact O-CB 3.24Å; D505-A509 PolarHBondContact O-N 3.46Å; D505-A509 VanDerWaalsContact O-N 3.17Å; A509-Q511 VanDerWaalsContact C-N 3.33Å; A509-Q511 PolarHBondContact O-N 2.89Å; A509-Q512 CarbonylContact O-C 3.5Å; A509-Q512 PolarHBondContact O-N 3.42Å; A509-Q512 VanDerWaalsContact O-N 3.13Å; A509-G513 PolarHBondContact O-N 3.07Å
510	R	55	Low	72.1	Confident	106 Å²	106	56 Å²	56	40%	0.4	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-41.8	174.1	-81.9	-168.4	-164.3	103	-2	112.3	K506 R508 Q512 G513	K506-R510 PolarHBondContact O-NH1 3.31Å; R508-R510 VanDerWaalsContact C-N 3.32Å; R508-R510 PolarHBondContact O-N 3.26Å; R510-Q512 PolarHBondContact O-N 2.72Å; R510-G513 PolarHBondContact O-N 3.27Å; R510-G513 VanDerWaalsContact O-N 3.11Å
511	Q	52.2	Low	72.2	Confident	179 Å²	179	52.4 Å²	52.4	84%	0.836	27%	0.271	S	S	*	.	H	α-helix	trans	-62.1	-30.3	176.6	-68.4	180	-13.3	0	0	112.1	R508 A509	R508-Q511 PolarHBondContact O-N 2.89Å; A509-Q511 VanDerWaalsContact C-N 3.33Å; A509-Q511 PolarHBondContact O-N 2.89Å
512	Q	56.9	Low	72.8	Confident	87 Å²	87	51.5 Å²	51.5	41%	0.407	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	13.5	178.8	-58.9	179.5	-23.9	0	0	113.8	K459 A509 R510 G514	K459-Q512 HydrophobicContact CD-CB 4.2Å; K459-Q512 HydrophobicContact CG-CB 4.45Å; K459-Q512 PolarHBondContact NZ-O 2.77Å; A509-Q512 CarbonylContact O-C 3.5Å; A509-Q512 PolarHBondContact O-N 3.42Å; A509-Q512 VanDerWaalsContact O-N 3.13Å; R510-Q512 PolarHBondContact O-N 2.72Å; Q512-G514 VanDerWaalsContact C-N 3.3Å; Q512-G514 PolarHBondContact O-N 2.65Å; Q512-G514 VanDerWaalsContact O-N 3.08Å
513	G	59.8	Low	73.2	Confident	29 Å²	29	52.8 Å²	52.8	30%	0.299	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	3.8	167.1	0	0	0	0	0	118	R376 A509 R510	R376-G513 PolarHBondContact NE-O 3.13Å; A509-G513 PolarHBondContact O-N 3.07Å; R510-G513 PolarHBondContact O-N 3.27Å; R510-G513 VanDerWaalsContact O-N 3.11Å
514	G	69.3	Low	73.6	Confident	17 Å²	17	53.6 Å²	53.6	18%	0.175	28%	0.279	C	S	.	.			trans	-64.6	139.9	-178.9	0	0	0	0	0	113	R376 R503 Q512	R376-G514 PolarHBondContact NH2-O 3.46Å; R503-G514 PolarHBondContact NH1-O 3.27Å; R503-G514 VanDerWaalsContact NH2-CA 3.25Å; R503-G514 PolarHBondContact NH2-O 3.11Å; Q512-G514 VanDerWaalsContact C-N 3.3Å; Q512-G514 PolarHBondContact O-N 2.65Å; Q512-G514 VanDerWaalsContact O-N 3.08Å
515	T	71.3	Confident	74.1	Confident	19 Å²	19	50.6 Å²	50.6	12%	0.117	26%	0.261	C	S	.	.			trans	-83.3	-24.1	174.3	55.8	0	0	0	0	112.1	M380 D383 L517	M380-T515 HydrophobicContact CB-CG2 3.99Å; M380-T515 HydrophobicContact CE-CG2 4.35Å; M380-T515 HydrophobicContact CG-CG2 4.41Å; D383-T515 PolarHBondContact OD2-OG1 2.98Å; T515-L517 PolarHBondContact OG1-N 3.24Å
516	G	79.8	Confident	75	Confident	19 Å²	19	47.5 Å²	47.5	20%	0.196	24%	0.244	C	C	.	.	S	Bend	trans	74	12	-169.6	0	0	0	0	0	113	F501	F501-G516 WeakPolarHBondContact CA-O 3.34Å; F501-G516 PolarHBondContact N-O 3.17Å
517	L	83.6	Confident	76.3	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.239	C	C	.	.			trans	-102.3	-22.5	178.2	-65.8	171.1	0	0	0	112.8	M380 D383 L384 R500 F501 T515 L519 A520 I521	M380-L517 HydrophobicContact CG-CD1 4.12Å; D383-L517 HydrophobicContact CB-CB 4.08Å; D383-L517 HydrophobicContact CB-CD1 3.67Å; L384-L517 HydrophobicContact CD2-CD1 3.89Å; L384-L517 HydrophobicContact CD2-CD2 4.37Å; L384-L517 HydrophobicContact CG-CD1 3.89Å; R500-L517 HydrophobicContact CB-CD2 4.41Å; F501-L517 HydrophobicContact CD1-CD2 4.06Å; F501-L517 HydrophobicContact CD1-CG 4.24Å; F501-L517 HydrophobicContact CD2-CD2 4.23Å; F501-L517 HydrophobicContact CE1-CD1 4.02Å; F501-L517 HydrophobicContact CE1-CD2 3.92Å; F501-L517 HydrophobicContact CE1-CG 4.06Å; F501-L517 HydrophobicContact CE2-CD2 4.08Å; F501-L517 HydrophobicContact CG-CD2 4.25Å; F501-L517 HydrophobicContact CZ-CD1 4.35Å; F501-L517 HydrophobicContact CZ-CD2 3.95Å; T515-L517 PolarHBondContact OG1-N 3.24Å; L517-L519 PolarHBondContact O-N 2.86Å; L517-A520 WeakPolarHBondContact O-CB 3.16Å; L517-A520 PolarHBondContact O-N 3.19Å; L517-A520 VanDerWaalsContact O-N 3.14Å; L517-I521 HydrophobicContact CB-CD1 4.24Å; L517-I521 WeakPolarHBondContact O-CG1 3.29Å; L517-I521 PolarHBondContact O-N 3.33Å
518	G	86.5	Confident	77.9	Confident	15 Å²	15	45.7 Å²	45.7	16%	0.155	23%	0.234	C	C	.	.	H	α-helix	trans	-54.9	-51.9	-173.3	0	0	0	0	0	114.2	N452 A520 I521 S522	N452-G518 PolarHBondContact ND2-O 3.11Å; N452-G518 VanDerWaalsContact ND2-O 3.09Å; G518-A520 VanDerWaalsContact C-N 3.35Å; G518-A520 PolarHBondContact O-N 3.43Å; G518-I521 PolarHBondContact O-N 2.94Å; G518-S522 PolarHBondContact O-N 2.74Å; G518-S522 PolarHBondContact O-OG 3.02Å; G518-S522 VanDerWaalsContact O-OG 3.08Å
519	L	91.4	Very high	79.3	Confident	22 Å²	22	38.9 Å²	38.9	12%	0.115	21%	0.209	C	C	.	.	H	α-helix	trans	-69.2	-31.5	179.2	-69.6	176.5	0	0	0	113	V497 F498 L517 S522 K523 F545	V497-L519 HydrophobicContact CB-CD1 4.1Å; V497-L519 HydrophobicContact CG2-CD1 4.2Å; F498-L519 HydrophobicContact CD1-CB 4.1Å; F498-L519 HydrophobicContact CE1-CB 4.49Å; F498-L519 HydrophobicContact CE1-CD2 4.46Å; L517-L519 PolarHBondContact O-N 2.86Å; L519-S522 PolarHBondContact O-N 2.93Å; L519-K523 PolarHBondContact O-N 3.25Å; L519-F545 HydrophobicContact CD1-CE1 3.94Å; L519-F545 HydrophobicContact CD1-CZ 4.11Å; L519-F545 HydrophobicContact CD2-CD1 4.33Å; L519-F545 HydrophobicContact CD2-CE1 3.83Å; L519-F545 HydrophobicContact CD2-CZ 4.43Å
520	A	88.6	Confident	80.8	Confident	4 Å²	4	46.7 Å²	46.7	3%	0.033	24%	0.244	C	C	.	.	H	α-helix	trans	-66.6	-42.7	174.5	0	0	0	0	0	111.1	R500 L517 G518 S522 K523 E524	R500-A520 HydrophobicContact CG-CB 4.09Å; L517-A520 WeakPolarHBondContact O-CB 3.16Å; L517-A520 PolarHBondContact O-N 3.19Å; L517-A520 VanDerWaalsContact O-N 3.14Å; G518-A520 VanDerWaalsContact C-N 3.35Å; G518-A520 PolarHBondContact O-N 3.43Å; A520-S522 VanDerWaalsContact C-N 3.33Å; A520-K523 PolarHBondContact O-N 2.98Å; A520-E524 PolarHBondContact O-N 2.98Å; A520-E524 VanDerWaalsContact O-N 3.12Å
521	I	87.2	Confident	82.6	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-44.8	172.1	-65.8	165.3	0	0	0	109.8	D383 L387 M390 L517 G518 K523 E524 V525	D383-I521 HydrophobicContact CB-CD1 3.68Å; L387-I521 HydrophobicContact CD1-CG1 4.13Å; M390-I521 HydrophobicContact CE-CG2 4.25Å; L517-I521 HydrophobicContact CB-CD1 4.24Å; L517-I521 WeakPolarHBondContact O-CG1 3.29Å; L517-I521 PolarHBondContact O-N 3.33Å; G518-I521 PolarHBondContact O-N 2.94Å; I521-K523 VanDerWaalsContact C-N 3.27Å; I521-K523 PolarHBondContact O-N 3.46Å; I521-E524 PolarHBondContact O-N 3.21Å; I521-V525 HydrophobicContact CG2-CG2 4.22Å; I521-V525 WeakPolarHBondContact O-CG2 3.29Å; I521-V525 PolarHBondContact O-N 2.98Å
522	S	92.4	Very high	84.6	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.7	-40	177.8	-62.5	0	0	0	0	112.2	N452 G518 L519 A520 V525 M526	N452-S522 PolarHBondContact ND2-OG 3.12Å; G518-S522 PolarHBondContact O-N 2.74Å; G518-S522 PolarHBondContact O-OG 3.02Å; G518-S522 VanDerWaalsContact O-OG 3.08Å; L519-S522 PolarHBondContact O-N 2.93Å; A520-S522 VanDerWaalsContact C-N 3.33Å; S522-V525 PolarHBondContact O-N 3.1Å; S522-M526 WeakPolarHBondContact O-CB 3.45Å; S522-M526 VanDerWaalsContact O-CG 3.23Å; S522-M526 WeakPolarHBondContact O-CG 3.42Å; S522-M526 PolarHBondContact O-N 2.93Å
523	K	91.8	Very high	86.4	Confident	80 Å²	80	36.8 Å²	36.8	35%	0.348	21%	0.206	S	C	.	.	H	α-helix	trans	-64.3	-42.5	176.2	-177.4	169.1	172.3	176.4	0	112.7	F498 L519 A520 I521 M526 K527 I533	F498-K523 HydrophobicContact CB-CD 3.58Å; F498-K523 HydrophobicContact CD1-CB 4.25Å; F498-K523 HydrophobicContact CD1-CD 4.41Å; F498-K523 HydrophobicContact CG-CD 4.1Å; L519-K523 PolarHBondContact O-N 3.25Å; A520-K523 PolarHBondContact O-N 2.98Å; I521-K523 VanDerWaalsContact C-N 3.27Å; I521-K523 PolarHBondContact O-N 3.46Å; K523-M526 PolarHBondContact O-N 3.06Å; K523-K527 WeakPolarHBondContact O-CG 3.36Å; K523-K527 PolarHBondContact O-N 2.91Å; K523-I533 HydrophobicContact CB-CG2 3.94Å; K523-I533 HydrophobicContact CG-CG2 4.18Å
524	E	88.5	Confident	88.1	Confident	43 Å²	43	39.4 Å²	39.4	20%	0.201	21%	0.207	C	C	.	.	H	α-helix	trans	-69.3	-38.4	177.3	-66.4	-51.6	130.3	0	0	112.4	L387 M390 A520 I521 M526 K527 A528	L387-E524 HydrophobicContact CD1-CG 4.16Å; M390-E524 HydrophobicContact SD-CB 3.92Å; A520-E524 PolarHBondContact O-N 2.98Å; A520-E524 VanDerWaalsContact O-N 3.12Å; I521-E524 PolarHBondContact O-N 3.21Å; E524-M526 PolarHBondContact O-N 2.91Å; E524-K527 PolarHBondContact O-N 2.78Å; E524-K527 IonicContact OE1-NZ 2.66Å; E524-K527 PolarHBondContact OE1-NZ 3.15Å; E524-K527 IonicContact OE2-NZ 3.18Å; E524-A528 WeakPolarHBondContact O-CB 3.46Å; E524-A528 PolarHBondContact O-N 2.92Å
525	V	90.9	Very high	89.3	Confident	5 Å²	5	39.3 Å²	39.3	3%	0.03	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-45.9	172.6	170.2	0	0	0	0	111.1	M390 K445 I446 V449 I521 S522 A528 H529	M390-V525 HydrophobicContact CE-CG2 3.5Å; M390-V525 HydrophobicContact SD-CG2 4.1Å; K445-V525 HydrophobicContact CB-CG1 3.67Å; K445-V525 HydrophobicContact CB-CG2 4.26Å; I446-V525 HydrophobicContact CD1-CG1 4.18Å; V449-V525 HydrophobicContact CG2-CB 3.8Å; V449-V525 HydrophobicContact CG2-CG1 3.55Å; V449-V525 HydrophobicContact CG2-CG2 4.46Å; I521-V525 HydrophobicContact CG2-CG2 4.22Å; I521-V525 WeakPolarHBondContact O-CG2 3.29Å; I521-V525 PolarHBondContact O-N 2.98Å; S522-V525 PolarHBondContact O-N 3.1Å; V525-A528 WeakPolarHBondContact O-CB 3.43Å; V525-A528 PolarHBondContact O-N 3.08Å; V525-H529 PolarHBondContact O-N 3.16Å; V525-H529 PolarHBondContact O-ND1 3.41Å
526	M	93	Very high	90.4	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-41	179.9	-70.3	-58.4	-55.7	0	0	111.9	I446 V449 S522 K523 E524 A528 H529 Q530 G531 I533 I547 S548 L549	I446-M526 HydrophobicContact CD1-SD 4.05Å; V449-M526 HydrophobicContact CG1-CG 4.46Å; V449-M526 HydrophobicContact CG1-SD 4.37Å; S522-M526 WeakPolarHBondContact O-CB 3.45Å; S522-M526 VanDerWaalsContact O-CG 3.23Å; S522-M526 WeakPolarHBondContact O-CG 3.42Å; S522-M526 PolarHBondContact O-N 2.93Å; K523-M526 PolarHBondContact O-N 3.06Å; E524-M526 PolarHBondContact O-N 2.91Å; M526-A528 VanDerWaalsContact C-N 3.3Å; M526-A528 PolarHBondContact O-N 3.4Å; M526-H529 CarbonylContact O-C 3.59Å; M526-H529 PolarHBondContact O-N 3.37Å; M526-Q530 PolarHBondContact O-N 3.45Å; M526-G531 CarbonylContact O-C 3.58Å; M526-G531 WeakPolarHBondContact O-CA 3.18Å; M526-G531 PolarHBondContact O-N 3.27Å; M526-I533 HydrophobicContact CB-CB 4.45Å; M526-I533 HydrophobicContact CB-CG2 4.32Å; M526-I533 HydrophobicContact CG-CB 4.08Å; M526-I533 HydrophobicContact CG-CG2 4.31Å; M526-I547 HydrophobicContact CE-CB 3.9Å; M526-I547 HydrophobicContact SD-CB 4.19Å; M526-I547 HydrophobicContact SD-CG2 4.31Å; M526-S548 WeakPolarHBondContact CE-O 3.28Å; M526-L549 HydrophobicContact CE-CD2 3.5Å; M526-L549 VanDerWaalsContact CE-CD2 3.5Å; M526-L549 HydrophobicContact CE-CG 3.89Å; M526-L549 HydrophobicContact SD-CD2 4.13Å
527	K	90.1	Very high	91.1	Very high	113 Å²	113	43.2 Å²	43.2	49%	0.491	22%	0.216	S	C	.	.	H	α-helix	trans	-59.2	-41.3	173.1	-77	176.9	-178.4	171.3	0	112.2	K523 E524 H529 Q530	K523-K527 WeakPolarHBondContact O-CG 3.36Å; K523-K527 PolarHBondContact O-N 2.91Å; E524-K527 PolarHBondContact O-N 2.78Å; E524-K527 IonicContact OE1-NZ 2.66Å; E524-K527 PolarHBondContact OE1-NZ 3.15Å; E524-K527 IonicContact OE2-NZ 3.18Å; K527-H529 PolarHBondContact O-N 3.37Å; K527-Q530 PolarHBondContact O-N 2.94Å
528	A	89.1	Confident	91.4	Very high	55 Å²	55	47 Å²	47	46%	0.455	24%	0.239	S	C	.	.	H	α-helix	trans	-63	-31.8	178.7	0	0	0	0	0	112.1	M397 E524 V525 M526 Q530	M397-A528 HydrophobicContact CE-CB 4.05Å; M397-A528 HydrophobicContact SD-CB 3.55Å; M397-A528 VanDerWaalsContact SD-CB 3.55Å; E524-A528 WeakPolarHBondContact O-CB 3.46Å; E524-A528 PolarHBondContact O-N 2.92Å; V525-A528 WeakPolarHBondContact O-CB 3.43Å; V525-A528 PolarHBondContact O-N 3.08Å; M526-A528 VanDerWaalsContact C-N 3.3Å; M526-A528 PolarHBondContact O-N 3.4Å; A528-Q530 VanDerWaalsContact C-N 3.28Å; A528-Q530 PolarHBondContact O-N 3.22Å
529	H	90.4	Very high	91.5	Very high	15 Å²	15	53 Å²	53	7%	0.069	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	10.3	172.2	-68.1	87.2	0	0	0	114.2	M397 D442 V525 M526 K527 G531 L549 P550	M397-H529 VanDerWaalsContact CE-CD2 3.47Å; M397-H529 WeakPolarHBondContact CE-CD2 3.47Å; M397-H529 WeakPolarHBondContact CE-CE1 3.37Å; M397-H529 VanDerWaalsContact CE-ND1 3.35Å; M397-H529 WeakPolarHBondContact CE-ND1 3.28Å; M397-H529 WeakPolarHBondContact CE-NE2 3.39Å; D442-H529 PolarHBondContact N-NE2 3.35Å; V525-H529 PolarHBondContact O-N 3.16Å; V525-H529 PolarHBondContact O-ND1 3.41Å; M526-H529 CarbonylContact O-C 3.59Å; M526-H529 PolarHBondContact O-N 3.37Å; K527-H529 PolarHBondContact O-N 3.37Å; H529-G531 PolarHBondContact O-N 3.1Å; H529-L549 HydrophobicContact CB-CD2 3.76Å; H529-P550 WeakPolarHBondContact O-CD 3.5Å
530	Q	90	Very high	91.2	Very high	169 Å²	169	55 Å²	55	79%	0.79	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	22.9	-173.2	-51.6	175.7	21.7	0	0	113.5	M526 K527 A528 P550	M526-Q530 PolarHBondContact O-N 3.45Å; K527-Q530 PolarHBondContact O-N 2.94Å; A528-Q530 VanDerWaalsContact C-N 3.28Å; A528-Q530 PolarHBondContact O-N 3.22Å; Q530-P550 HydrophobicContact CB-CG 4.12Å
531	G	91.5	Very high	91.2	Very high	10 Å²	10	62.4 Å²	62.4	10%	0.103	32%	0.32	C	S	.	.			trans	-97.4	-179	177.9	0	0	0	0	0	112.9	M526 H529 S548	M526-G531 CarbonylContact O-C 3.58Å; M526-G531 WeakPolarHBondContact O-CA 3.18Å; M526-G531 PolarHBondContact O-N 3.27Å; H529-G531 PolarHBondContact O-N 3.1Å; G531-S548 CarbonylContact C-O 3.55Å; G531-S548 WeakPolarHBondContact CA-O 3.05Å
532	Q	93.8	Very high	91.3	Very high	134 Å²	134	62.7 Å²	62.7	63%	0.626	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.2	179	-65.1	-173.5	-16.3	0	0	110.6	W534 I547 S548	Q532-W534 HydrophobicContact CB-CE3 4.1Å; Q532-W534 HydrophobicContact CB-CZ3 4.01Å; Q532-I547 CarbonylContact O-C 3.59Å; Q532-I547 WeakPolarHBondContact O-CA 3.44Å; Q532-S548 PolarHBondContact N-O 3.05Å; Q532-S548 PolarHBondContact O-N 3.18Å
533	I	95.2	Very high	91.4	Very high	21 Å²	21	63 Å²	63	11%	0.108	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133	169.8	-174.6	169.8	0	0	0	109.1	I453 F498 K523 M526 Y546 I547	I453-I533 HydrophobicContact CD1-CD1 4.03Å; F498-I533 HydrophobicContact CD1-CG2 4.27Å; F498-I533 HydrophobicContact CE1-CB 4.4Å; F498-I533 HydrophobicContact CE1-CD1 3.84Å; F498-I533 HydrophobicContact CE1-CG1 3.72Å; F498-I533 HydrophobicContact CE1-CG2 3.9Å; F498-I533 HydrophobicContact CZ-CG1 4.02Å; F498-I533 HydrophobicContact CZ-CG2 4.48Å; K523-I533 HydrophobicContact CB-CG2 3.94Å; K523-I533 HydrophobicContact CG-CG2 4.18Å; M526-I533 HydrophobicContact CB-CB 4.45Å; M526-I533 HydrophobicContact CB-CG2 4.32Å; M526-I533 HydrophobicContact CG-CB 4.08Å; M526-I533 HydrophobicContact CG-CG2 4.31Å; I533-Y546 VanDerWaalsContact CA-O 3.26Å; I533-Y546 WeakPolarHBondContact CA-O 3.39Å; I533-Y546 WeakPolarHBondContact CG1-O 3.32Å; I533-I547 HydrophobicContact CB-CG2 4.24Å; I533-I547 HydrophobicContact CD1-CG2 3.92Å; I533-I547 HydrophobicContact CG1-CG2 3.89Å
534	W	95.4	Very high	91.6	Very high	84 Å²	84	60.4 Å²	60.4	32%	0.318	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	170.5	175.5	67.9	97.5	0	0	0	110.7	V479 Q532 Y546	V479-W534 HydrophobicContact CG1-CH2 4.39Å; Q532-W534 HydrophobicContact CB-CE3 4.1Å; Q532-W534 HydrophobicContact CB-CZ3 4.01Å; W534-Y546 AromaticContact CD1-CD2 3.63Å; W534-Y546 HydrophobicContact CD2-CD2 4.49Å; W534-Y546 HydrophobicContact CD2-CG 4.35Å; W534-Y546 AromaticContact CE2-CD2 3.81Å; W534-Y546 AromaticContact CE2-CG 3.58Å; W534-Y546 HydrophobicContact CG-CD2 4.4Å; W534-Y546 HydrophobicContact CZ2-CD1 4.07Å; W534-Y546 HydrophobicContact CZ2-CD2 4.35Å; W534-Y546 AromaticContact CZ2-CG 3.7Å; W534-Y546 HydrophobicContact CZ2-CG 3.7Å; W534-Y546 PolarHBondContact N-O 3.03Å; W534-Y546 AromaticContact NE1-CD2 3.21Å; W534-Y546 AromaticContact NE1-CE2 3.85Å; W534-Y546 AromaticContact NE1-CG 3.48Å; W534-Y546 PolarHBondContact O-N 2.94Å
535	V	95.3	Very high	92	Very high	14 Å²	14	58.9 Å²	58.9	9%	0.085	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137.4	-179.3	64.4	0	0	0	0	110.7	I489 L494 V497 F498 T544 F545	I489-V535 HydrophobicContact CD1-CG1 4.46Å; I489-V535 HydrophobicContact CD1-CG2 3.92Å; L494-V535 HydrophobicContact CD2-CG1 4Å; V497-V535 HydrophobicContact CG2-CG1 3.96Å; F498-V535 HydrophobicContact CE2-CG1 3.98Å; F498-V535 HydrophobicContact CZ-CB 4.38Å; F498-V535 HydrophobicContact CZ-CG1 4.29Å; V535-T544 WeakPolarHBondContact CA-O 3.36Å; V535-F545 HydrophobicContact CB-CD1 3.79Å; V535-F545 HydrophobicContact CB-CE1 3.74Å; V535-F545 HydrophobicContact CB-CG 4.35Å; V535-F545 HydrophobicContact CB-CZ 4.27Å; V535-F545 HydrophobicContact CG1-CE1 4.4Å; V535-F545 HydrophobicContact CG2-CD1 3.88Å; V535-F545 HydrophobicContact CG2-CD2 4.06Å; V535-F545 HydrophobicContact CG2-CE1 3.71Å; V535-F545 HydrophobicContact CG2-CE2 3.9Å; V535-F545 HydrophobicContact CG2-CG 4.05Å; V535-F545 HydrophobicContact CG2-CZ 3.73Å
536	E	95	Very high	92.3	Very high	107 Å²	107	61 Å²	61	50%	0.5	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.5	166.7	-64.4	179.9	156.3	0	0	108	T544 Y546	E536-T544 PolarHBondContact N-O 3Å; E536-T544 PolarHBondContact O-N 3.39Å; E536-Y546 HydrophobicContact CB-CE2 4.07Å; E536-Y546 HydrophobicContact CG-CE2 3.8Å; E536-Y546 WeakPolarHBondContact OE2-CE2 3.47Å; E536-Y546 PolarHBondContact OE2-OH 3.27Å
537	S	93.3	Very high	92.4	Very high	14 Å²	14	61 Å²	61	10%	0.098	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	150.9	179.5	-176.2	0	0	0	0	111.8	G488 I489 G542 S543	G488-S537 WeakPolarHBondContact CA-OG 3.22Å; I489-S537 PolarHBondContact N-OG 2.79Å; S537-G542 PolarHBondContact OG-O 2.97Å; S537-S543 PolarHBondContact OG-OG 3.09Å
538	V	90	Very high	92.6	Very high	79 Å²	79	56 Å²	56	48%	0.479	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.5	170.1	-179.5	0	0	0	0	107.3	G540 K541 G542	V538-G540 PolarHBondContact O-N 3.5Å; V538-K541 HydrophobicContact CB-CB 4.13Å; V538-K541 HydrophobicContact CB-CD 4.11Å; V538-K541 HydrophobicContact CB-CG 4.28Å; V538-K541 HydrophobicContact CG1-CB 4.44Å; V538-K541 HydrophobicContact CG1-CD 3.87Å; V538-K541 HydrophobicContact CG1-CG 4.06Å; V538-K541 PolarHBondContact O-N 3.27Å; V538-G542 PolarHBondContact N-O 3.26Å; V538-G542 PolarHBondContact O-N 3.23Å
539	E	88	Confident	92.8	Very high	142 Å²	142	53.6 Å²	53.6	66%	0.664	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	127.4	177.9	-168.3	175.1	-178.5	0	0	110.9	K541	E539-K541 VanDerWaalsContact C-N 3.31Å; E539-K541 PolarHBondContact O-N 2.73Å
540	G	85.4	Confident	92.8	Very high	63 Å²	63	55.5 Å²	55.5	65%	0.649	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	0.2	-177	0	0	0	0	0	116.1	L487 V538	L487-G540 PolarHBondContact O-N 3.08Å; V538-G540 PolarHBondContact O-N 3.5Å
541	K	88.1	Confident	92.5	Very high	160 Å²	160	48.9 Å²	48.9	70%	0.696	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-15.7	175.4	-60.9	-169.4	179.1	-176	0	114.1	V538 E539	V538-K541 HydrophobicContact CB-CB 4.13Å; V538-K541 HydrophobicContact CB-CD 4.11Å; V538-K541 HydrophobicContact CB-CG 4.28Å; V538-K541 HydrophobicContact CG1-CB 4.44Å; V538-K541 HydrophobicContact CG1-CD 3.87Å; V538-K541 HydrophobicContact CG1-CG 4.06Å; V538-K541 PolarHBondContact O-N 3.27Å; E539-K541 VanDerWaalsContact C-N 3.31Å; E539-K541 PolarHBondContact O-N 2.73Å
542	G	90.9	Very high	91.6	Very high	7 Å²	7	56.6 Å²	56.6	7%	0.072	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	108.8	-175.2	-177.7	0	0	0	0	0	114.1	D484 G486 S537 V538	D484-G542 WeakPolarHBondContact O-CA 3.49Å; G486-G542 WeakPolarHBondContact O-CA 3.35Å; G486-G542 PolarHBondContact O-N 2.71Å; G486-G542 VanDerWaalsContact O-N 3.1Å; S537-G542 PolarHBondContact OG-O 2.97Å; V538-G542 PolarHBondContact N-O 3.26Å; V538-G542 PolarHBondContact O-N 3.23Å
543	S	94.3	Very high	90.4	Very high	6 Å²	6	53.8 Å²	53.8	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	146.4	-173.9	-35.6	0	0	0	0	110.8	S483 D484 S537	S483-S543 CarbonylContact C-O 3.58Å; S483-S543 WeakPolarHBondContact CA-O 3.32Å; D484-S543 PolarHBondContact N-O 3.35Å; D484-S543 PolarHBondContact O-N 3.34Å; D484-S543 PolarHBondContact OD1-N 3.47Å; D484-S543 VanDerWaalsContact OD2-CB 3.32Å; D484-S543 WeakPolarHBondContact OD2-CB 3.11Å; D484-S543 PolarHBondContact OD2-N 2.97Å; D484-S543 VanDerWaalsContact OD2-O 3.14Å; S537-S543 PolarHBondContact OG-OG 3.09Å
544	T	96.1	Very high	88.8	Confident	26 Å²	26	60.9 Å²	60.9	16%	0.16	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	112.7	171.8	-53.2	0	0	0	0	108.7	I482 S483 V535 E536 Y546	I482-T544 WeakPolarHBondContact O-CA 3.31Å; S483-T544 PolarHBondContact OG-OG1 3.38Å; V535-T544 WeakPolarHBondContact CA-O 3.36Å; E536-T544 PolarHBondContact N-O 3Å; E536-T544 PolarHBondContact O-N 3.39Å; T544-Y546 HydrophobicContact CG2-CD2 4.2Å; T544-Y546 HydrophobicContact CG2-CE1 3.97Å; T544-Y546 HydrophobicContact CG2-CE2 3.58Å; T544-Y546 VanDerWaalsContact CG2-CZ 3.46Å
545	F	96.7	Very high	86.9	Confident	11 Å²	11	64.4 Å²	64.4	5%	0.048	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	136.7	172.8	-74.1	-91.9	0	0	0	109.2	I453 S481 I482 I489 F498 L519 V535	I453-F545 HydrophobicContact CD1-CB 4.3Å; I453-F545 HydrophobicContact CG1-CB 4.44Å; I453-F545 HydrophobicContact CG2-CB 3.66Å; I453-F545 HydrophobicContact CG2-CD2 4.1Å; I453-F545 HydrophobicContact CG2-CG 3.97Å; S481-F545 CarbonylContact C-O 3.58Å; S481-F545 VanDerWaalsContact CA-O 3.27Å; S481-F545 WeakPolarHBondContact CA-O 3.12Å; I482-F545 PolarHBondContact N-O 3.34Å; I482-F545 PolarHBondContact O-N 3.46Å; I489-F545 HydrophobicContact CD1-CZ 4.04Å; F498-F545 HydrophobicContact CZ-CD1 4.42Å; F498-F545 HydrophobicContact CZ-CE1 4.35Å; L519-F545 HydrophobicContact CD1-CE1 3.94Å; L519-F545 HydrophobicContact CD1-CZ 4.11Å; L519-F545 HydrophobicContact CD2-CD1 4.33Å; L519-F545 HydrophobicContact CD2-CE1 3.83Å; L519-F545 HydrophobicContact CD2-CZ 4.43Å; V535-F545 HydrophobicContact CB-CD1 3.79Å; V535-F545 HydrophobicContact CB-CE1 3.74Å; V535-F545 HydrophobicContact CB-CG 4.35Å; V535-F545 HydrophobicContact CB-CZ 4.27Å; V535-F545 HydrophobicContact CG1-CE1 4.4Å; V535-F545 HydrophobicContact CG2-CD1 3.88Å; V535-F545 HydrophobicContact CG2-CD2 4.06Å; V535-F545 HydrophobicContact CG2-CE1 3.71Å; V535-F545 HydrophobicContact CG2-CE2 3.9Å; V535-F545 HydrophobicContact CG2-CG 4.05Å; V535-F545 HydrophobicContact CG2-CZ 3.73Å
546	Y	96.5	Very high	84.9	Confident	49 Å²	49	72 Å²	72	19%	0.192	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.9	178.3	-60.7	-94.3	0	0	0	109.4	V479 L480 S481 I533 W534 E536 T544	V479-Y546 HydrophobicContact CG1-CD1 4.28Å; L480-Y546 CarbonylContact O-C 3.42Å; L480-Y546 WeakPolarHBondContact O-CA 3.49Å; S481-Y546 VanDerWaalsContact CB-CD1 3.46Å; I533-Y546 VanDerWaalsContact CA-O 3.26Å; I533-Y546 WeakPolarHBondContact CA-O 3.39Å; I533-Y546 WeakPolarHBondContact CG1-O 3.32Å; W534-Y546 AromaticContact CD1-CD2 3.63Å; W534-Y546 HydrophobicContact CD2-CD2 4.49Å; W534-Y546 HydrophobicContact CD2-CG 4.35Å; W534-Y546 AromaticContact CE2-CD2 3.81Å; W534-Y546 AromaticContact CE2-CG 3.58Å; W534-Y546 HydrophobicContact CG-CD2 4.4Å; W534-Y546 HydrophobicContact CZ2-CD1 4.07Å; W534-Y546 HydrophobicContact CZ2-CD2 4.35Å; W534-Y546 AromaticContact CZ2-CG 3.7Å; W534-Y546 HydrophobicContact CZ2-CG 3.7Å; W534-Y546 PolarHBondContact N-O 3.03Å; W534-Y546 AromaticContact NE1-CD2 3.21Å; W534-Y546 AromaticContact NE1-CE2 3.85Å; W534-Y546 AromaticContact NE1-CG 3.48Å; W534-Y546 PolarHBondContact O-N 2.94Å; E536-Y546 HydrophobicContact CB-CE2 4.07Å; E536-Y546 HydrophobicContact CG-CE2 3.8Å; E536-Y546 WeakPolarHBondContact OE2-CE2 3.47Å; E536-Y546 PolarHBondContact OE2-OH 3.27Å; T544-Y546 HydrophobicContact CG2-CD2 4.2Å; T544-Y546 HydrophobicContact CG2-CE1 3.97Å; T544-Y546 HydrophobicContact CG2-CE2 3.58Å; T544-Y546 VanDerWaalsContact CG2-CZ 3.46Å
547	I	96	Very high	82.4	Confident	2 Å²	2	74.2 Å²	74.2	1%	0.01	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.1	165.8	64.9	172.6	0	0	0	108.9	F404 V449 I450 I453 V479 L480 M526 Q532 I533	F404-I547 HydrophobicContact CZ-CD1 4.33Å; V449-I547 HydrophobicContact CG1-CG2 4.03Å; I450-I547 HydrophobicContact CG1-CD1 4.28Å; I453-I547 HydrophobicContact CD1-CG2 3.82Å; V479-I547 CarbonylContact C-O 3.48Å; V479-I547 VanDerWaalsContact CA-O 3.31Å; V479-I547 WeakPolarHBondContact CA-O 3.45Å; L480-I547 HydrophobicContact CB-CD1 4.02Å; L480-I547 HydrophobicContact CB-CG1 3.59Å; L480-I547 HydrophobicContact CD2-CD1 3.59Å; L480-I547 HydrophobicContact CD2-CG1 4.01Å; L480-I547 HydrophobicContact CG-CD1 4.35Å; L480-I547 HydrophobicContact CG-CG1 4.24Å; L480-I547 PolarHBondContact N-O 3.06Å; L480-I547 PolarHBondContact O-N 3.45Å; M526-I547 HydrophobicContact CE-CB 3.9Å; M526-I547 HydrophobicContact SD-CB 4.19Å; M526-I547 HydrophobicContact SD-CG2 4.31Å; Q532-I547 CarbonylContact O-C 3.59Å; Q532-I547 WeakPolarHBondContact O-CA 3.44Å; I533-I547 HydrophobicContact CB-CG2 4.24Å; I533-I547 HydrophobicContact CD1-CG2 3.92Å; I533-I547 HydrophobicContact CG1-CG2 3.89Å
548	S	94.5	Very high	79.9	Confident	8 Å²	8	79.6 Å²	79.6	6%	0.056	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.5	176.8	177.8	0	0	0	0	109	N477 V478 M526 G531 Q532	N477-S548 WeakPolarHBondContact CB-OG 3.38Å; N477-S548 PolarHBondContact ND2-OG 2.77Å; V478-S548 CarbonylContact O-C 3.54Å; V478-S548 WeakPolarHBondContact O-CA 3.33Å; M526-S548 WeakPolarHBondContact CE-O 3.28Å; G531-S548 CarbonylContact C-O 3.55Å; G531-S548 WeakPolarHBondContact CA-O 3.05Å; Q532-S548 PolarHBondContact N-O 3.05Å; Q532-S548 PolarHBondContact O-N 3.18Å
549	L	93.5	Very high	77.6	Confident	4 Å²	4	87.3 Å²	87.3	2%	0.021	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.8	175.5	-69.4	167.5	0	0	0	109.8	F404 I441 I446 N477 V478 M526 H529 Y551	F404-L549 HydrophobicContact CE2-CD1 3.86Å; F404-L549 HydrophobicContact CZ-CD1 3.86Å; I441-L549 HydrophobicContact CG2-CD1 3.92Å; I441-L549 HydrophobicContact CG2-CD2 4.4Å; I446-L549 HydrophobicContact CD1-CD1 4.39Å; I446-L549 HydrophobicContact CD1-CD2 4.17Å; N477-L549 CarbonylContact C-O 3.58Å; N477-L549 WeakPolarHBondContact CA-O 3.42Å; N477-L549 WeakPolarHBondContact CB-O 3.33Å; V478-L549 PolarHBondContact N-O 3Å; V478-L549 PolarHBondContact O-N 3.48Å; M526-L549 HydrophobicContact CE-CD2 3.5Å; M526-L549 VanDerWaalsContact CE-CD2 3.5Å; M526-L549 HydrophobicContact CE-CG 3.89Å; M526-L549 HydrophobicContact SD-CD2 4.13Å; H529-L549 HydrophobicContact CB-CD2 3.76Å; L549-Y551 PolarHBondContact O-N 3.3Å
550	P	89.5	Confident	75.1	Confident	55 Å²	55	93.6 Å²	93.6	36%	0.357	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	137	170.3	-21.9	32.9	0	0	0	111.1	H529 Q530	H529-P550 WeakPolarHBondContact O-CD 3.5Å; Q530-P550 HydrophobicContact CB-CG 4.12Å
551	Y	83.9	Confident	74.6	Confident	31 Å²	31	95.1 Å²	95.1	12%	0.122	45%	0.447	C	S	.	.			trans	-139.4	128.1	-179.9	169.1	-106.6	0	0	0	109.2	L437 W438 V439 K476 V478 L549 P553	L437-Y551 HydrophobicContact CD2-CE1 4.43Å; L437-Y551 HydrophobicContact CD2-CE2 4.29Å; W438-Y551 VanDerWaalsContact O-CD2 3.23Å; W438-Y551 WeakPolarHBondContact O-CD2 3.43Å; W438-Y551 WeakPolarHBondContact O-CE2 3.47Å; V439-Y551 HydrophobicContact CG1-CD2 4.07Å; K476-Y551 CarbonylContact C-O 3.58Å; K476-Y551 VanDerWaalsContact C-O 3.31Å; K476-Y551 PolarHBondContact O-N 3.33Å; K476-Y551 VanDerWaalsContact O-O 3.06Å; V478-Y551 HydrophobicContact CG2-CD1 4.25Å; V478-Y551 HydrophobicContact CG2-CD2 3.86Å; V478-Y551 HydrophobicContact CG2-CG 3.65Å; L549-Y551 PolarHBondContact O-N 3.3Å; Y551-P553 HydrophobicContact CD1-CG 4.46Å; Y551-P553 HydrophobicContact CE1-CB 4.18Å; Y551-P553 HydrophobicContact CE1-CG 3.94Å
552	E	73.1	Confident	73.9	Confident	171 Å²	171	91.7 Å²	91.7	80%	0.799	43%	0.434	S	S	*	.			trans	-109	121	170.5	-166	161	-152.6	0	0	107.9	Y554	E552-Y554 PolarHBondContact O-N 2.63Å
553	P	67.3	Low	72.9	Confident	75 Å²	75	96.4 Å²	96.4	49%	0.487	45%	0.454	S	S	.	.			trans	-58.7	123.3	178.6	-19.5	29.9	0	0	0	110	Y551 E555	Y551-P553 HydrophobicContact CD1-CG 4.46Å; Y551-P553 HydrophobicContact CE1-CB 4.18Å; Y551-P553 HydrophobicContact CE1-CG 3.94Å; P553-E555 PolarHBondContact O-N 2.81Å; P553-E555 VanDerWaalsContact O-N 3.12Å
554	Y	61.9	Low	71.7	Confident	170 Å²	170	101.7 Å²	101.7	67%	0.667	48%	0.479	S	S	*	.			trans	-72	104.9	172.9	-163.7	-95.2	0	0	0	108.7	E552 E556	E552-Y554 PolarHBondContact O-N 2.63Å; Y554-E556 HydrophobicContact CD1-CG 4.11Å; Y554-E556 HydrophobicContact CE1-CG 4.01Å; Y554-E556 PolarHBondContact O-N 3.08Å
555	E	56.2	Low	70.1	Confident	159 Å²	159	106.4 Å²	106.4	74%	0.743	50%	0.498	S	S	*	.			trans	-80.4	109	167	-74.5	-174.2	169.6	0	0	108.4	P553 D557	P553-E555 PolarHBondContact O-N 2.81Å; P553-E555 VanDerWaalsContact O-N 3.12Å; E555-D557 PolarHBondContact O-N 3.32Å
556	E	51.9	Low	68.4	Low	172 Å²	172	112.8 Å²	112.8	80%	0.804	53%	0.528	S	S	*	.			trans	-63.4	2	-179.5	-110.9	178.4	169.9	0	0	115	Y554	Y554-E556 HydrophobicContact CD1-CG 4.11Å; Y554-E556 HydrophobicContact CE1-CG 4.01Å; Y554-E556 PolarHBondContact O-N 3.08Å
557	D	44.1	Very low	66.4	Low	155 Å²	155	117.4 Å²	117.4	83%	0.829	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	23.5	-159.1	-93.3	-18.2	0	0	0	116.8	E555	E555-D557 PolarHBondContact O-N 3.32Å
558	I	40.4	Very low	64.1	Low	127 Å²	127	126.2 Å²	126.2	65%	0.651	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	-6.5	-178.1	-55.3	-178.8	0	0	0	115.3
559	W	41.8	Very low	61.5	Low	240 Å²	240	136.1 Å²	136.1	91%	0.909	64%	0.639	S	S	*	*			trans	-142.8	74	176.2	-62.3	94.4	0	0	0	113.7
560	E	35	Very low	58.6	Low	274 Å²	274	148.1 Å²	148.1	100%	1.28	70%	0.695	S	S	*	*			trans	-151.1	0	141.1	-104.7	-172.7	-174.7	0	0	111.6

Retrieved 560 of 560 residues in 395.9 ms (Link to these results)

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