A0A096NDN7_PAPAN Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB (A0A2K6AIF2), UniProt , Accession A0A096NDN7, Species PAPAN (Papio anubis, Olive baboon), Gene TRIM4, Length 474 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	45.7	Very low	65.1	Low	196 Å²	196	103.9 Å²	103.9	97%	0.966	53%	0.527	S	S	*	.				0	93.6	0	-148.5	167.6	70.6	0	0	105.4	D5	M1-D5 HydrophobicContact CG-CB 4.29Å; M1-D5 WeakPolarHBondContact CG-OD2 3.15Å
2	E	45.7	Very low	67	Low	144 Å²	144	95.3 Å²	95.3	67%	0.673	48%	0.483	S	S	*	.			trans	-76.9	160.9	-164.8	-70.2	173.7	150.6	0	0	110.2	E4 D5	E2-E4 PolarHBondContact O-N 2.86Å; E2-D5 PolarHBondContact O-N 3.43Å; E2-D5 VanDerWaalsContact O-N 3.12Å
3	A	56.2	Low	68.5	Low	70 Å²	70	92.4 Å²	92.4	58%	0.579	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-7.7	-176.6	0	0	0	0	0	114.3
4	E	55.2	Low	69.7	Low	150 Å²	150	90.2 Å²	90.2	70%	0.701	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-36.8	174.7	-69	-179	164.1	0	0	111.9	E2 L6 Q7	E2-E4 PolarHBondContact O-N 2.86Å; E4-L6 VanDerWaalsContact C-N 3.29Å; E4-L6 PolarHBondContact O-N 3.04Å; E4-Q7 WeakPolarHBondContact O-CB 3.45Å; E4-Q7 PolarHBondContact O-N 2.87Å
5	D	58.6	Low	70.7	Confident	81 Å²	81	87.3 Å²	87.3	43%	0.433	45%	0.454	S	S	.	.	H	α-helix	trans	-60.2	-37.2	177.6	-75.1	-31.9	0	0	0	112.1	M1 E2 Q7	M1-D5 HydrophobicContact CG-CB 4.29Å; M1-D5 WeakPolarHBondContact CG-OD2 3.15Å; E2-D5 PolarHBondContact O-N 3.43Å; E2-D5 VanDerWaalsContact O-N 3.12Å; D5-Q7 VanDerWaalsContact C-N 3.3Å; D5-Q7 PolarHBondContact O-N 3.43Å
6	L	65.8	Low	71.5	Confident	90 Å²	90	90.3 Å²	90.3	47%	0.471	47%	0.47	S	S	.	.	H	α-helix	trans	-74.8	-17.2	179.2	-82.3	156.2	0	0	0	113.6	E4 L10	E4-L6 VanDerWaalsContact C-N 3.29Å; E4-L6 PolarHBondContact O-N 3.04Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.32Å
7	Q	69.3	Low	72.2	Confident	79 Å²	79	92.1 Å²	92.1	37%	0.369	48%	0.475	S	S	.	.	H	α-helix	trans	-79.7	-42.2	-179.3	-176.9	168.7	-41.2	0	0	110.7	E4 D5 E9 L10 T11 Y18	E4-Q7 WeakPolarHBondContact O-CB 3.45Å; E4-Q7 PolarHBondContact O-N 2.87Å; D5-Q7 VanDerWaalsContact C-N 3.3Å; D5-Q7 PolarHBondContact O-N 3.43Å; Q7-E9 VanDerWaalsContact C-N 3.28Å; Q7-E9 PolarHBondContact O-N 3.44Å; Q7-L10 PolarHBondContact O-N 2.88Å; Q7-L10 VanDerWaalsContact O-N 3.15Å; Q7-T11 HydrophobicContact CG-CG2 4.38Å; Q7-T11 VanDerWaalsContact O-CG2 3.3Å; Q7-T11 WeakPolarHBondContact O-CG2 3.35Å; Q7-T11 PolarHBondContact O-N 3.34Å; Q7-T11 PolarHBondContact O-OG1 3.43Å; Q7-Y18 HydrophobicContact CG-CE1 4.47Å
8	E	69.6	Low	72.9	Confident	156 Å²	156	89.1 Å²	89.1	73%	0.729	46%	0.457	S	S	*	.	H	α-helix	trans	-63.8	-34	176.5	-64.4	-171	166.5	0	0	112.1	L10 T11	E8-L10 PolarHBondContact O-N 2.83Å; E8-T11 PolarHBondContact O-OG1 3.43Å; E8-T11 VanDerWaalsContact O-OG1 3.13Å
9	E	78.4	Confident	73.5	Confident	135 Å²	135	85.1 Å²	85.1	63%	0.631	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.5	176.2	-68.1	-174.5	172.9	0	0	114.1	Q7	Q7-E9 VanDerWaalsContact C-N 3.28Å; Q7-E9 PolarHBondContact O-N 3.44Å
10	L	84.6	Confident	74.1	Confident	13 Å²	13	87.5 Å²	87.5	7%	0.068	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	3.2	-175.6	-68.1	-176.2	0	0	0	113.3	L6 Q7 E8 Y18 F19 L67 L70 T71 T74	L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.32Å; Q7-L10 PolarHBondContact O-N 2.88Å; Q7-L10 VanDerWaalsContact O-N 3.15Å; E8-L10 PolarHBondContact O-N 2.83Å; L10-Y18 HydrophobicContact CB-CD1 3.95Å; L10-Y18 HydrophobicContact CB-CE1 4.03Å; L10-Y18 WeakPolarHBondContact O-CA 3.4Å; L10-F19 VanDerWaalsContact C-CD2 3.48Å; L10-F19 WeakPolarHBondContact O-CD2 3.41Å; L10-F19 PolarHBondContact O-N 3.18Å; L10-F19 VanDerWaalsContact O-N 3.16Å; L10-L67 HydrophobicContact CD2-CD1 3.61Å; L10-L70 HydrophobicContact CD2-CB 3.99Å; L10-T71 HydrophobicContact CB-CG2 4.07Å; L10-T71 HydrophobicContact CD2-CG2 4.16Å; L10-T71 WeakPolarHBondContact O-CG2 3.26Å; L10-T74 HydrophobicContact CD1-CG2 4.21Å; L10-T74 WeakPolarHBondContact CD1-OG1 3.06Å
11	T	87.1	Confident	74.7	Confident	29 Å²	29	87.2 Å²	87.2	18%	0.178	45%	0.445	C	S	.	.	B	Isolated β-bridge	trans	-101.2	142.7	176.9	49.1	0	0	0	0	111.4	Q7 E8 E17 F19	Q7-T11 HydrophobicContact CG-CG2 4.38Å; Q7-T11 VanDerWaalsContact O-CG2 3.3Å; Q7-T11 WeakPolarHBondContact O-CG2 3.35Å; Q7-T11 PolarHBondContact O-N 3.34Å; Q7-T11 PolarHBondContact O-OG1 3.43Å; E8-T11 PolarHBondContact O-OG1 3.43Å; E8-T11 VanDerWaalsContact O-OG1 3.13Å; T11-E17 CarbonylContact C-O 3.58Å; T11-E17 WeakPolarHBondContact CA-O 3.49Å; T11-F19 VanDerWaalsContact O-CE2 3.25Å; T11-F19 WeakPolarHBondContact O-CE2 3.34Å; T11-F19 WeakPolarHBondContact O-CZ 3.32Å
12	C	88.4	Confident	76.9	Confident	0 Å²	0	78 Å²	78	0%	0	40%	0.4	C	S	.	.			trans	-76.4	125.6	174.5	176.4	0	0	0	0	109.4	I14 C15 L16 E17 F19 C32	C12-I14 PolarHBondContact O-N 3.14Å; C12-I14 VanDerWaalsContact O-N 3.08Å; C12-C15 VanDerWaalsContact CB-SG 3.58Å; C12-C15 PolarHBondContact O-N 3.38Å; C12-L16 WeakPolarHBondContact O-CA 3.16Å; C12-L16 PolarHBondContact O-N 3.14Å; C12-E17 PolarHBondContact N-O 3.35Å; C12-F19 HydrophobicContact CB-CD1 3.67Å; C12-F19 HydrophobicContact CB-CE1 3.63Å; C12-F19 HydrophobicContact CB-CG 4.43Å; C12-F19 HydrophobicContact CB-CZ 4.38Å; C12-C32 WeakPolarHBondContact CB-SG 3.13Å; C12-C32 PolarHBondContact SG-N 3.4Å; C12-C32 VanDerWaalsContact SG-N 3.43Å; C12-C32 VanDerWaalsContact SG-SG 3.63Å
13	P	85.8	Confident	79	Confident	58 Å²	58	71.1 Å²	71.1	38%	0.377	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-11	-176.6	28.9	-38	0	0	0	113.6	F31 E51	P13-F31 HydrophobicContact CG-CD1 3.68Å; P13-F31 HydrophobicContact CG-CE1 3.44Å; P13-F31 VanDerWaalsContact CG-CE1 3.44Å; P13-F31 HydrophobicContact CG-CZ 4.45Å; P13-E51 HydrophobicContact CG-CG 4.41Å; P13-E51 WeakPolarHBondContact CG-OE1 3.27Å
14	I	85.9	Confident	80.7	Confident	62 Å²	62	69 Å²	69	32%	0.318	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-48.8	177.2	-60.2	168	0	0	0	111.7	C12 F31 C35 L36 P50	C12-I14 PolarHBondContact O-N 3.14Å; C12-I14 VanDerWaalsContact O-N 3.08Å; I14-F31 HydrophobicContact CD1-CB 4.31Å; I14-F31 HydrophobicContact CD1-CD1 3.49Å; I14-F31 VanDerWaalsContact CD1-CD1 3.49Å; I14-F31 HydrophobicContact CD1-CE1 4.17Å; I14-F31 HydrophobicContact CD1-CG 4.14Å; I14-F31 HydrophobicContact CG1-CD1 3.81Å; I14-F31 HydrophobicContact CG1-CE1 4.23Å; I14-C35 HydrophobicContact CB-CB 3.9Å; I14-C35 HydrophobicContact CD1-CB 3.72Å; I14-C35 HydrophobicContact CG1-CB 4.42Å; I14-C35 HydrophobicContact CG2-CB 3.86Å; I14-L36 HydrophobicContact CD1-CD2 4.26Å; I14-P50 HydrophobicContact CD1-CG 4.13Å
15	C	84.8	Confident	82.4	Confident	46 Å²	46	62.3 Å²	62.3	31%	0.311	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-7.2	-177	64.6	0	0	0	0	113.6	C12 E17	C12-C15 VanDerWaalsContact CB-SG 3.58Å; C12-C15 PolarHBondContact O-N 3.38Å; C15-E17 PolarHBondContact O-N 2.87Å
16	L	83.5	Confident	83.7	Confident	136 Å²	136	64 Å²	64	71%	0.712	32%	0.323	S	S	*	.	S	Bend	trans	58.5	15.5	-178.7	-51.1	176.7	0	0	0	114.2	C12	C12-L16 WeakPolarHBondContact O-CA 3.16Å; C12-L16 PolarHBondContact O-N 3.14Å
17	E	82.7	Confident	84.8	Confident	121 Å²	121	61.6 Å²	61.6	57%	0.565	31%	0.313	S	S	*	.	S	Bend	trans	-105.7	163.5	173.9	-65.8	-172.7	-175.6	0	0	111.3	T11 C12 C15 F19	T11-E17 CarbonylContact C-O 3.58Å; T11-E17 WeakPolarHBondContact CA-O 3.49Å; C12-E17 PolarHBondContact N-O 3.35Å; C15-E17 PolarHBondContact O-N 2.87Å; E17-F19 PolarHBondContact O-N 3.03Å
18	Y	84.9	Confident	85.6	Confident	38 Å²	38	60.1 Å²	60.1	15%	0.149	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-53.4	135	171.9	-74	-71.3	0	0	0	111.8	Q7 L10 Q20 T71 T74 R75 R78	Q7-Y18 HydrophobicContact CG-CE1 4.47Å; L10-Y18 HydrophobicContact CB-CD1 3.95Å; L10-Y18 HydrophobicContact CB-CE1 4.03Å; L10-Y18 WeakPolarHBondContact O-CA 3.4Å; Y18-Q20 PolarHBondContact O-N 3.21Å; Y18-T71 HydrophobicContact CD1-CG2 4.33Å; Y18-T74 HydrophobicContact CE1-CG2 4.1Å; Y18-R75 HydrophobicContact CD2-CG 4.44Å; Y18-R75 PolarHBondContact O-NH2 3.26Å; Y18-R78 PolarHBondContact OH-NE 3.14Å; Y18-R78 VanDerWaalsContact OH-NE 3.15Å
19	F	85.2	Confident	86.6	Confident	12 Å²	12	55.4 Å²	55.4	5%	0.053	30%	0.297	C	S	.	.			trans	-49.8	125.5	-178.5	-68.8	-76.3	0	0	0	113.3	L10 T11 C12 E17 P22 N30 L67 T71	L10-F19 VanDerWaalsContact C-CD2 3.48Å; L10-F19 WeakPolarHBondContact O-CD2 3.41Å; L10-F19 PolarHBondContact O-N 3.18Å; L10-F19 VanDerWaalsContact O-N 3.16Å; T11-F19 VanDerWaalsContact O-CE2 3.25Å; T11-F19 WeakPolarHBondContact O-CE2 3.34Å; T11-F19 WeakPolarHBondContact O-CZ 3.32Å; C12-F19 HydrophobicContact CB-CD1 3.67Å; C12-F19 HydrophobicContact CB-CE1 3.63Å; C12-F19 HydrophobicContact CB-CG 4.43Å; C12-F19 HydrophobicContact CB-CZ 4.38Å; E17-F19 PolarHBondContact O-N 3.03Å; F19-P22 HydrophobicContact CB-CB 3.75Å; F19-P22 HydrophobicContact CB-CG 3.98Å; F19-P22 HydrophobicContact CD1-CB 4.07Å; F19-P22 HydrophobicContact CG-CB 3.99Å; F19-N30 HydrophobicContact CE1-CB 4.18Å; F19-N30 VanDerWaalsContact CE1-O 3.24Å; F19-N30 WeakPolarHBondContact CE1-O 3.47Å; F19-N30 HydrophobicContact CZ-CB 4.04Å; F19-N30 WeakPolarHBondContact CZ-O 3.34Å; F19-L67 HydrophobicContact CD1-CD2 4.35Å; F19-L67 HydrophobicContact CD2-CD1 4.06Å; F19-L67 HydrophobicContact CD2-CD2 3.53Å; F19-L67 HydrophobicContact CD2-CG 3.71Å; F19-L67 HydrophobicContact CE1-CD2 4.39Å; F19-L67 HydrophobicContact CE2-CD1 4.23Å; F19-L67 HydrophobicContact CE2-CD2 3.59Å; F19-L67 HydrophobicContact CE2-CG 4.15Å; F19-L67 HydrophobicContact CG-CD2 3.94Å; F19-L67 HydrophobicContact CG-CG 4.25Å; F19-L67 HydrophobicContact CZ-CD2 4.03Å; F19-T71 HydrophobicContact CB-CG2 3.9Å; F19-T71 HydrophobicContact CD2-CG2 4.18Å; F19-T71 PolarHBondContact O-OG1 3.3Å
20	Q	83.9	Confident	87.2	Confident	133 Å²	133	50.9 Å²	50.9	62%	0.621	28%	0.277	S	S	*	.	S	Bend	trans	-113.4	117.7	170.3	-171.5	172.3	9.2	0	0	108.1	Y18 C32	Y18-Q20 PolarHBondContact O-N 3.21Å; Q20-C32 PolarHBondContact N-SG 3.35Å; Q20-C32 VanDerWaalsContact O-CB 3.28Å; Q20-C32 WeakPolarHBondContact O-CB 3.41Å
21	D	87.6	Confident	87.6	Confident	83 Å²	83	50.2 Å²	50.2	44%	0.444	27%	0.274	S	S	.	.	S	Bend	trans	50.5	62.7	-169.8	-168.7	30.2	0	0	0	112.5	R33	D21-R33 HydrophobicContact CB-CB 4.29Å; D21-R33 WeakPolarHBondContact O-CB 3.25Å; D21-R33 PolarHBondContact O-N 3.07Å; D21-R33 VanDerWaalsContact OD2-CB 3.27Å; D21-R33 WeakPolarHBondContact OD2-CB 3.21Å; D21-R33 WeakPolarHBondContact OD2-CD 3.42Å
22	P	91.3	Very high	87.7	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.013	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	135.7	-178.6	20.4	-27.5	0	0	0	112.2	F19 F31 N64 L67 A68	F19-P22 HydrophobicContact CB-CB 3.75Å; F19-P22 HydrophobicContact CB-CG 3.98Å; F19-P22 HydrophobicContact CD1-CB 4.07Å; F19-P22 HydrophobicContact CG-CB 3.99Å; P22-F31 CarbonylContact C-O 3.59Å; P22-F31 WeakPolarHBondContact CA-O 3.43Å; P22-N64 HydrophobicContact CB-CB 4.32Å; P22-N64 WeakPolarHBondContact CG-O 3.45Å; P22-N64 PolarHBondContact O-N 3.22Å; P22-L67 HydrophobicContact CB-CB 4.11Å; P22-L67 HydrophobicContact CB-CD2 3.75Å; P22-L67 HydrophobicContact CB-CG 4.07Å; P22-L67 HydrophobicContact CG-CB 3.95Å; P22-L67 HydrophobicContact CG-CD2 4.43Å; P22-L67 HydrophobicContact CG-CG 4.21Å; P22-A68 HydrophobicContact CG-CB 3.72Å; P22-A68 VanDerWaalsContact CG-N 3.35Å
23	V	91.2	Very high	87.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.9	174.3	-69.1	0	0	0	0	109.9	N30 F31 R33 L36 L61 R62	V23-N30 WeakPolarHBondContact O-CA 3.48Å; V23-F31 WeakPolarHBondContact CG2-O 3.49Å; V23-F31 PolarHBondContact N-O 3.39Å; V23-F31 PolarHBondContact O-N 3.27Å; V23-R33 HydrophobicContact CG1-CB 3.98Å; V23-R33 HydrophobicContact CG1-CG 4.27Å; V23-R33 HydrophobicContact CG2-CB 4.24Å; V23-L36 HydrophobicContact CG2-CD1 3.65Å; V23-L61 HydrophobicContact CB-CD2 4.15Å; V23-L61 HydrophobicContact CG2-CD2 3.88Å; V23-R62 CarbonylContact C-O 3.53Å; V23-R62 WeakPolarHBondContact CA-O 3.26Å
24	S	92	Very high	87.7	Confident	26 Å²	26	54.1 Å²	54.1	18%	0.182	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	138	170.7	-50.3	0	0	0	0	109.8	H29 N30 R62 N64	S24-H29 WeakPolarHBondContact CA-O 3.24Å; S24-N30 PolarHBondContact OG-OD1 3.22Å; S24-R62 PolarHBondContact N-O 3.28Å; S24-R62 PolarHBondContact O-N 3.32Å; S24-N64 PolarHBondContact OG-ND2 3.41Å
25	I	89.3	Confident	87.7	Confident	8 Å²	8	51.3 Å²	51.3	4%	0.041	28%	0.276	C	S	.	.			trans	-100.5	173.1	172.2	54.5	167.3	0	0	0	110.9	C27 G28 H29 F31 L36 F47 C49 L61	I25-C27 WeakPolarHBondContact CD1-SG 3.41Å; I25-C27 PolarHBondContact O-N 3.26Å; I25-C27 VanDerWaalsContact O-N 3.14Å; I25-G28 PolarHBondContact O-N 3.4Å; I25-H29 HydrophobicContact CD1-CB 4.47Å; I25-H29 HydrophobicContact CG1-CB 4.38Å; I25-H29 WeakPolarHBondContact CG1-O 3.4Å; I25-H29 PolarHBondContact N-O 2.94Å; I25-H29 VanDerWaalsContact N-O 3.13Å; I25-F31 HydrophobicContact CD1-CD2 4.38Å; I25-F31 HydrophobicContact CD1-CE2 3.74Å; I25-F31 HydrophobicContact CG1-CD2 4.48Å; I25-F31 HydrophobicContact CG1-CE2 4.12Å; I25-L36 HydrophobicContact CG2-CD1 3.77Å; I25-F47 HydrophobicContact CG2-CE2 4.14Å; I25-F47 HydrophobicContact CG2-CZ 3.72Å; I25-C49 HydrophobicContact CD1-CB 3.54Å; I25-L61 HydrophobicContact CG2-CD2 3.35Å
26	E	86.9	Confident	87.8	Confident	116 Å²	116	49.1 Å²	49.1	54%	0.542	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.2	-171.1	-68.1	176	140.7	0	0	114.2	G28 S56 A57 A60	E26-G28 PolarHBondContact O-N 3.28Å; E26-S56 WeakPolarHBondContact OE2-CA 3.47Å; E26-A57 PolarHBondContact OE2-N 3.28Å; E26-A60 HydrophobicContact CG-CB 3.34Å; E26-A60 WeakPolarHBondContact OE1-CB 3.47Å
27	C	88.9	Confident	87.7	Confident	41 Å²	41	48.6 Å²	48.6	28%	0.277	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-0.5	176.9	70.9	0	0	0	0	114.2	I25 H29 C49 H54	I25-C27 WeakPolarHBondContact CD1-SG 3.41Å; I25-C27 PolarHBondContact O-N 3.26Å; I25-C27 VanDerWaalsContact O-N 3.14Å; C27-H29 PolarHBondContact SG-ND1 3.13Å; C27-C49 VanDerWaalsContact SG-SG 3.64Å; C27-H54 HydrophobicContact CB-CB 3.76Å
28	G	86.1	Confident	87.5	Confident	47 Å²	47	51.4 Å²	51.4	49%	0.485	26%	0.26	S	S	.	.	S	Bend	trans	90.8	-8.6	177	0	0	0	0	0	116.5	I25 E26 N30	I25-G28 PolarHBondContact O-N 3.4Å; E26-G28 PolarHBondContact O-N 3.28Å; G28-N30 PolarHBondContact O-ND2 2.97Å
29	H	90.6	Very high	86.8	Confident	57 Å²	57	52.8 Å²	52.8	26%	0.264	28%	0.275	S	S	.	.			trans	-71.5	152.9	176	-65.8	112.3	0	0	0	112	S24 I25 C27 F31 C49 E51 C52	S24-H29 WeakPolarHBondContact CA-O 3.24Å; I25-H29 HydrophobicContact CD1-CB 4.47Å; I25-H29 HydrophobicContact CG1-CB 4.38Å; I25-H29 WeakPolarHBondContact CG1-O 3.4Å; I25-H29 PolarHBondContact N-O 2.94Å; I25-H29 VanDerWaalsContact N-O 3.13Å; C27-H29 PolarHBondContact SG-ND1 3.13Å; H29-F31 HydrophobicContact CB-CE2 3.59Å; H29-F31 HydrophobicContact CB-CZ 3.88Å; H29-C49 PolarHBondContact ND1-SG 2.91Å; H29-C49 VanDerWaalsContact ND1-SG 3.43Å; H29-E51 IonicContact CD2-OE1 3.74Å; H29-E51 IonicContact CD2-OE2 3.14Å; H29-E51 PolarHBondContact CD2-OE2 2.96Å; H29-E51 IonicContact CG-OE1 3.88Å; H29-E51 IonicContact CG-OE2 3.91Å; H29-E51 IonicContact NE2-OE2 3.66Å; H29-C52 VanDerWaalsContact CE1-SG 3.52Å; H29-C52 PolarHBondContact ND1-SG 3.15Å; H29-C52 VanDerWaalsContact ND1-SG 3.43Å
30	N	91.3	Very high	86.5	Confident	40 Å²	40	55.3 Å²	55.3	21%	0.214	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.3	-171.3	-59.8	-82.7	0	0	0	111.4	F19 V23 S24 G28 N64 L67	F19-N30 HydrophobicContact CE1-CB 4.18Å; F19-N30 VanDerWaalsContact CE1-O 3.24Å; F19-N30 WeakPolarHBondContact CE1-O 3.47Å; F19-N30 HydrophobicContact CZ-CB 4.04Å; F19-N30 WeakPolarHBondContact CZ-O 3.34Å; V23-N30 WeakPolarHBondContact O-CA 3.48Å; S24-N30 PolarHBondContact OG-OD1 3.22Å; G28-N30 PolarHBondContact O-ND2 2.97Å; N30-N64 PolarHBondContact OD1-ND2 3.27Å; N30-L67 HydrophobicContact CB-CD2 3.59Å
31	F	91.3	Very high	85.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	158.4	-177.7	-56.8	-83.5	0	0	0	110.3	P13 I14 P22 V23 I25 H29 L36 P50 E51	P13-F31 HydrophobicContact CG-CD1 3.68Å; P13-F31 HydrophobicContact CG-CE1 3.44Å; P13-F31 VanDerWaalsContact CG-CE1 3.44Å; P13-F31 HydrophobicContact CG-CZ 4.45Å; I14-F31 HydrophobicContact CD1-CB 4.31Å; I14-F31 HydrophobicContact CD1-CD1 3.49Å; I14-F31 VanDerWaalsContact CD1-CD1 3.49Å; I14-F31 HydrophobicContact CD1-CE1 4.17Å; I14-F31 HydrophobicContact CD1-CG 4.14Å; I14-F31 HydrophobicContact CG1-CD1 3.81Å; I14-F31 HydrophobicContact CG1-CE1 4.23Å; P22-F31 CarbonylContact C-O 3.59Å; P22-F31 WeakPolarHBondContact CA-O 3.43Å; V23-F31 WeakPolarHBondContact CG2-O 3.49Å; V23-F31 PolarHBondContact N-O 3.39Å; V23-F31 PolarHBondContact O-N 3.27Å; I25-F31 HydrophobicContact CD1-CD2 4.38Å; I25-F31 HydrophobicContact CD1-CE2 3.74Å; I25-F31 HydrophobicContact CG1-CD2 4.48Å; I25-F31 HydrophobicContact CG1-CE2 4.12Å; H29-F31 HydrophobicContact CB-CE2 3.59Å; H29-F31 HydrophobicContact CB-CZ 3.88Å; F31-L36 HydrophobicContact CB-CD1 3.77Å; F31-L36 HydrophobicContact CB-CD2 3.89Å; F31-L36 HydrophobicContact CB-CG 3.48Å; F31-L36 VanDerWaalsContact CB-CG 3.48Å; F31-L36 HydrophobicContact CD1-CD2 4.37Å; F31-L36 HydrophobicContact CD2-CD1 3.93Å; F31-L36 HydrophobicContact CD2-CD2 3.73Å; F31-L36 HydrophobicContact CD2-CG 4.07Å; F31-L36 HydrophobicContact CE2-CD2 4.38Å; F31-L36 HydrophobicContact CG-CD1 4.18Å; F31-L36 HydrophobicContact CG-CD2 3.72Å; F31-L36 HydrophobicContact CG-CG 3.9Å; F31-P50 HydrophobicContact CD1-CG 4.4Å; F31-P50 HydrophobicContact CE1-CB 3.84Å; F31-P50 HydrophobicContact CE1-CG 3.84Å; F31-P50 HydrophobicContact CZ-CB 4.05Å; F31-P50 HydrophobicContact CZ-CG 3.93Å; F31-E51 HydrophobicContact CE1-CG 4.2Å; F31-E51 HydrophobicContact CZ-CG 3.98Å; F31-E51 VanDerWaalsContact CZ-OE1 3.32Å; F31-E51 WeakPolarHBondContact CZ-OE1 3.33Å
32	C	90.6	Very high	84.1	Confident	7 Å²	7	55.4 Å²	55.4	5%	0.047	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	135.8	166.3	-58.4	0	0	0	0	109.4	C12 Q20 G34 C35 L36	C12-C32 WeakPolarHBondContact CB-SG 3.13Å; C12-C32 PolarHBondContact SG-N 3.4Å; C12-C32 VanDerWaalsContact SG-N 3.43Å; C12-C32 VanDerWaalsContact SG-SG 3.63Å; Q20-C32 PolarHBondContact N-SG 3.35Å; Q20-C32 VanDerWaalsContact O-CB 3.28Å; Q20-C32 WeakPolarHBondContact O-CB 3.41Å; C32-G34 PolarHBondContact O-N 3.46Å; C32-C35 HydrophobicContact CB-CB 3.98Å; C32-C35 WeakPolarHBondContact O-CA 3.15Å; C32-C35 WeakPolarHBondContact O-CB 3.39Å; C32-C35 PolarHBondContact O-N 3.45Å; C32-L36 PolarHBondContact O-N 3.41Å
33	R	87.9	Confident	82.7	Confident	126 Å²	126	59.2 Å²	59.2	48%	0.475	35%	0.347	S	S	.	.	H	α-helix	trans	-52.6	-43.8	177.7	-172.9	-174.7	174.3	96.4	0.9	112.2	D21 V23 C35 L36 H37	D21-R33 HydrophobicContact CB-CB 4.29Å; D21-R33 WeakPolarHBondContact O-CB 3.25Å; D21-R33 PolarHBondContact O-N 3.07Å; D21-R33 VanDerWaalsContact OD2-CB 3.27Å; D21-R33 WeakPolarHBondContact OD2-CB 3.21Å; D21-R33 WeakPolarHBondContact OD2-CD 3.42Å; V23-R33 HydrophobicContact CG1-CB 3.98Å; V23-R33 HydrophobicContact CG1-CG 4.27Å; V23-R33 HydrophobicContact CG2-CB 4.24Å; R33-C35 VanDerWaalsContact C-N 3.32Å; R33-C35 PolarHBondContact O-N 2.9Å; R33-L36 PolarHBondContact O-N 3.43Å; R33-H37 WeakPolarHBondContact O-CB 3.3Å; R33-H37 PolarHBondContact O-N 3.08Å
34	G	85.4	Confident	81.2	Confident	36 Å²	36	62 Å²	62	37%	0.371	38%	0.376	S	S	.	.	H	α-helix	trans	-65.3	-31.5	176.5	0	0	0	0	0	113.9	C32 R38	C32-G34 PolarHBondContact O-N 3.46Å; G34-R38 WeakPolarHBondContact O-CG 3.47Å; G34-R38 PolarHBondContact O-N 3.39Å; G34-R38 PolarHBondContact O-NH1 3.06Å
35	C	87.1	Confident	80.2	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.02	39%	0.388	C	S	.	.	H	α-helix	trans	-72.9	-42.2	177.2	-68.2	0	0	0	0	111.7	I14 C32 R33 R38 S39	I14-C35 HydrophobicContact CB-CB 3.9Å; I14-C35 HydrophobicContact CD1-CB 3.72Å; I14-C35 HydrophobicContact CG1-CB 4.42Å; I14-C35 HydrophobicContact CG2-CB 3.86Å; C32-C35 HydrophobicContact CB-CB 3.98Å; C32-C35 WeakPolarHBondContact O-CA 3.15Å; C32-C35 WeakPolarHBondContact O-CB 3.39Å; C32-C35 PolarHBondContact O-N 3.45Å; R33-C35 VanDerWaalsContact C-N 3.32Å; R33-C35 PolarHBondContact O-N 2.9Å; C35-R38 PolarHBondContact O-N 3.32Å; C35-R38 PolarHBondContact SG-NH2 2.83Å; C35-S39 PolarHBondContact O-N 2.79Å; C35-S39 PolarHBondContact O-OG 2.83Å
36	L	85.4	Confident	79.5	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-65.6	-40.5	175	-76.2	179.6	0	0	0	112.6	I14 V23 I25 F31 C32 R33 R38 S39 W40 F47 P50 L61	I14-L36 HydrophobicContact CD1-CD2 4.26Å; V23-L36 HydrophobicContact CG2-CD1 3.65Å; I25-L36 HydrophobicContact CG2-CD1 3.77Å; F31-L36 HydrophobicContact CB-CD1 3.77Å; F31-L36 HydrophobicContact CB-CD2 3.89Å; F31-L36 HydrophobicContact CB-CG 3.48Å; F31-L36 VanDerWaalsContact CB-CG 3.48Å; F31-L36 HydrophobicContact CD1-CD2 4.37Å; F31-L36 HydrophobicContact CD2-CD1 3.93Å; F31-L36 HydrophobicContact CD2-CD2 3.73Å; F31-L36 HydrophobicContact CD2-CG 4.07Å; F31-L36 HydrophobicContact CE2-CD2 4.38Å; F31-L36 HydrophobicContact CG-CD1 4.18Å; F31-L36 HydrophobicContact CG-CD2 3.72Å; F31-L36 HydrophobicContact CG-CG 3.9Å; C32-L36 PolarHBondContact O-N 3.41Å; R33-L36 PolarHBondContact O-N 3.43Å; L36-R38 PolarHBondContact O-N 2.77Å; L36-S39 PolarHBondContact O-N 3.42Å; L36-W40 PolarHBondContact O-N 3.01Å; L36-F47 HydrophobicContact CD1-CZ 4.48Å; L36-F47 HydrophobicContact CD2-CE2 3.95Å; L36-P50 HydrophobicContact CD2-CG 4.13Å; L36-L61 HydrophobicContact CD1-CD2 3.58Å
37	H	81.8	Confident	79.1	Confident	124 Å²	124	62.2 Å²	62.2	57%	0.574	39%	0.394	S	S	*	.	H	α-helix	trans	-60	-31.7	178.8	-168.1	-70.2	0	0	0	112.4	R33 S39 W40	R33-H37 WeakPolarHBondContact O-CB 3.3Å; R33-H37 PolarHBondContact O-N 3.08Å; H37-S39 VanDerWaalsContact C-N 3.34Å; H37-W40 HydrophobicContact CB-CE3 4.32Å; H37-W40 HydrophobicContact CB-CZ3 4.39Å; H37-W40 AromaticContact CD2-CE3 3.77Å; H37-W40 AromaticContact CD2-CZ3 3.47Å; H37-W40 VanDerWaalsContact CD2-CZ3 3.47Å; H37-W40 WeakPolarHBondContact CD2-CZ3 3.47Å
38	R	79.3	Confident	78.9	Confident	181 Å²	181	64.3 Å²	64.3	68%	0.683	41%	0.407	S	S	*	.	H	α-helix	trans	-75	-22.4	174.9	-72.8	-172.1	-67.6	-96.5	6	113.5	G34 C35 L36	G34-R38 WeakPolarHBondContact O-CG 3.47Å; G34-R38 PolarHBondContact O-N 3.39Å; G34-R38 PolarHBondContact O-NH1 3.06Å; C35-R38 PolarHBondContact O-N 3.32Å; C35-R38 PolarHBondContact SG-NH2 2.83Å; L36-R38 PolarHBondContact O-N 2.77Å
39	S	70.3	Confident	78.9	Confident	67 Å²	67	62.1 Å²	62.1	47%	0.469	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-0.9	-179.4	-57.4	0	0	0	0	113.8	C35 L36 H37	C35-S39 PolarHBondContact O-N 2.79Å; C35-S39 PolarHBondContact O-OG 2.83Å; L36-S39 PolarHBondContact O-N 3.42Å; H37-S39 VanDerWaalsContact C-N 3.34Å
40	W	77.7	Confident	78.7	Confident	65 Å²	65	62.4 Å²	62.4	25%	0.246	39%	0.391	C	S	.	.	S	Bend	trans	-79.5	140.7	179.1	-69.9	-19.1	0	0	0	113	L36 H37 F47 P58 L61	L36-W40 PolarHBondContact O-N 3.01Å; H37-W40 HydrophobicContact CB-CE3 4.32Å; H37-W40 HydrophobicContact CB-CZ3 4.39Å; H37-W40 AromaticContact CD2-CE3 3.77Å; H37-W40 AromaticContact CD2-CZ3 3.47Å; H37-W40 VanDerWaalsContact CD2-CZ3 3.47Å; H37-W40 WeakPolarHBondContact CD2-CZ3 3.47Å; W40-F47 AromaticContact CD1-CD1 3.5Å; W40-F47 VanDerWaalsContact CD1-CD1 3.5Å; W40-F47 AromaticContact CD1-CD2 3.86Å; W40-F47 AromaticContact CD1-CE1 3.97Å; W40-F47 AromaticContact CD1-CG 3.44Å; W40-F47 VanDerWaalsContact CD1-CG 3.44Å; W40-F47 AromaticContact CE2-CE1 3.84Å; W40-F47 HydrophobicContact CZ2-CE1 4.11Å; W40-F47 AromaticContact NE1-CD1 3.11Å; W40-F47 AromaticContact NE1-CD2 3.71Å; W40-F47 AromaticContact NE1-CE1 3.09Å; W40-F47 AromaticContact NE1-CE2 3.69Å; W40-F47 AromaticContact NE1-CG 3.44Å; W40-F47 AromaticContact NE1-CZ 3.39Å; W40-P58 HydrophobicContact CH2-CB 3.85Å; W40-P58 HydrophobicContact CZ2-CB 3.75Å; W40-P58 HydrophobicContact CZ2-CG 4.24Å; W40-P58 HydrophobicContact CZ3-CB 4.42Å; W40-L61 HydrophobicContact CH2-CD1 3.63Å; W40-L61 HydrophobicContact CZ2-CD1 3.42Å; W40-L61 VanDerWaalsContact CZ2-CD1 3.42Å; W40-L61 HydrophobicContact CZ2-CG 4.3Å
41	A	62.8	Low	78.4	Confident	77 Å²	77	65 Å²	65	64%	0.636	40%	0.402	S	S	*	.			trans	-68.9	141	168.2	0	0	0	0	0	110.1	G43	A41-G43 PolarHBondContact O-N 2.8Å
42	P	58.6	Low	78.2	Confident	141 Å²	141	68.1 Å²	68.1	92%	0.916	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	112.1	175.7	-16.7	28.4	0	0	0	109.6
43	G	61.5	Low	78	Confident	81 Å²	81	77.7 Å²	77.7	84%	0.835	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	139	-1.8	179.3	0	0	0	0	0	116.8	A41 G45	A41-G43 PolarHBondContact O-N 2.8Å; G43-G45 VanDerWaalsContact C-N 3.26Å; G43-G45 PolarHBondContact O-N 2.97Å
44	G	61.5	Low	77.8	Confident	60 Å²	60	76.3 Å²	76.3	62%	0.619	46%	0.457	S	S	*	.			trans	69.8	14.1	167.4	0	0	0	0	0	116.2
45	G	69.8	Low	77.6	Confident	42 Å²	42	78.4 Å²	78.4	43%	0.433	46%	0.464	S	S	.	.			trans	-76.6	177.7	175.1	0	0	0	0	0	113.8	G43 F47 P58	G43-G45 VanDerWaalsContact C-N 3.26Å; G43-G45 PolarHBondContact O-N 2.97Å; G45-F47 PolarHBondContact O-N 3.37Å; G45-P58 WeakPolarHBondContact O-CD 2.97Å
46	P	74.4	Confident	77.4	Confident	103 Å²	103	78.3 Å²	78.3	67%	0.669	46%	0.463	S	S	*	.			trans	-57.2	134	173.6	-19.1	30.4	0	0	0	111.1	P55 S56	P46-P55 HydrophobicContact CB-CB 4.48Å; P46-S56 CarbonylContact C-O 3.58Å; P46-S56 WeakPolarHBondContact CA-O 3.28Å
47	F	79.9	Confident	77.2	Confident	8 Å²	8	79.9 Å²	79.9	4%	0.035	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	144.7	177.4	64.9	-83.5	0	0	0	110.2	I25 L36 W40 G45 S56 P58 L61	I25-F47 HydrophobicContact CG2-CE2 4.14Å; I25-F47 HydrophobicContact CG2-CZ 3.72Å; L36-F47 HydrophobicContact CD1-CZ 4.48Å; L36-F47 HydrophobicContact CD2-CE2 3.95Å; W40-F47 AromaticContact CD1-CD1 3.5Å; W40-F47 VanDerWaalsContact CD1-CD1 3.5Å; W40-F47 AromaticContact CD1-CD2 3.86Å; W40-F47 AromaticContact CD1-CE1 3.97Å; W40-F47 AromaticContact CD1-CG 3.44Å; W40-F47 VanDerWaalsContact CD1-CG 3.44Å; W40-F47 AromaticContact CE2-CE1 3.84Å; W40-F47 HydrophobicContact CZ2-CE1 4.11Å; W40-F47 AromaticContact NE1-CD1 3.11Å; W40-F47 AromaticContact NE1-CD2 3.71Å; W40-F47 AromaticContact NE1-CE1 3.09Å; W40-F47 AromaticContact NE1-CE2 3.69Å; W40-F47 AromaticContact NE1-CG 3.44Å; W40-F47 AromaticContact NE1-CZ 3.39Å; G45-F47 PolarHBondContact O-N 3.37Å; F47-S56 WeakPolarHBondContact CD1-O 3.46Å; F47-S56 WeakPolarHBondContact CE1-O 3.5Å; F47-S56 PolarHBondContact N-O 3.05Å; F47-S56 PolarHBondContact O-N 3.34Å; F47-P58 HydrophobicContact CD1-CG 4.11Å; F47-P58 HydrophobicContact CE1-CG 4.24Å; F47-L61 HydrophobicContact CZ-CD2 4.4Å
48	P	83.6	Confident	76.9	Confident	86 Å²	86	75.5 Å²	75.5	56%	0.558	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	136.4	175.6	29.4	-32.7	0	0	0	110.2	R53	P48-R53 HydrophobicContact CB-CB 4.46Å
49	C	86.3	Confident	76.8	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.007	47%	0.465	C	S	.	.			trans	-53.2	129.3	169	171.6	0	0	0	0	110.3	I25 C27 H29 E51 C52 R53 H54	I25-C49 HydrophobicContact CD1-CB 3.54Å; C27-C49 VanDerWaalsContact SG-SG 3.64Å; H29-C49 PolarHBondContact ND1-SG 2.91Å; H29-C49 VanDerWaalsContact ND1-SG 3.43Å; C49-E51 PolarHBondContact O-N 3.31Å; C49-E51 VanDerWaalsContact O-N 3.14Å; C49-E51 PolarHBondContact SG-N 2.62Å; C49-C52 PolarHBondContact SG-N 3.24Å; C49-C52 VanDerWaalsContact SG-N 3.43Å; C49-R53 WeakPolarHBondContact O-CA 3.44Å; C49-R53 PolarHBondContact O-N 3.13Å; C49-H54 PolarHBondContact N-O 3.43Å
50	P	85.9	Confident	77.2	Confident	62 Å²	62	69.2 Å²	69.2	40%	0.403	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-26	177.7	-27.6	34.9	0	0	0	114.8	I14 F31 L36	I14-P50 HydrophobicContact CD1-CG 4.13Å; F31-P50 HydrophobicContact CD1-CG 4.4Å; F31-P50 HydrophobicContact CE1-CB 3.84Å; F31-P50 HydrophobicContact CE1-CG 3.84Å; F31-P50 HydrophobicContact CZ-CB 4.05Å; F31-P50 HydrophobicContact CZ-CG 3.93Å; L36-P50 HydrophobicContact CD2-CG 4.13Å
51	E	86.1	Confident	77.6	Confident	96 Å²	96	67 Å²	67	45%	0.449	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-57.5	-179.1	-70.2	177.6	-119	0	0	112.5	P13 H29 F31 C49	P13-E51 HydrophobicContact CG-CG 4.41Å; P13-E51 WeakPolarHBondContact CG-OE1 3.27Å; H29-E51 IonicContact CD2-OE1 3.74Å; H29-E51 IonicContact CD2-OE2 3.14Å; H29-E51 PolarHBondContact CD2-OE2 2.96Å; H29-E51 IonicContact CG-OE1 3.88Å; H29-E51 IonicContact CG-OE2 3.91Å; H29-E51 IonicContact NE2-OE2 3.66Å; F31-E51 HydrophobicContact CE1-CG 4.2Å; F31-E51 HydrophobicContact CZ-CG 3.98Å; F31-E51 VanDerWaalsContact CZ-OE1 3.32Å; F31-E51 WeakPolarHBondContact CZ-OE1 3.33Å; C49-E51 PolarHBondContact O-N 3.31Å; C49-E51 VanDerWaalsContact O-N 3.14Å; C49-E51 PolarHBondContact SG-N 2.62Å
52	C	87.1	Confident	78.9	Confident	65 Å²	65	72.1 Å²	72.1	44%	0.439	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	0.3	-172.5	70.2	0	0	0	0	114.9	H29 C49 H54	H29-C52 VanDerWaalsContact CE1-SG 3.52Å; H29-C52 PolarHBondContact ND1-SG 3.15Å; H29-C52 VanDerWaalsContact ND1-SG 3.43Å; C49-C52 PolarHBondContact SG-N 3.24Å; C49-C52 VanDerWaalsContact SG-N 3.43Å; C52-H54 PolarHBondContact O-N 3.31Å
53	R	84.9	Confident	80.3	Confident	207 Å²	207	68.1 Å²	68.1	78%	0.781	42%	0.419	S	S	*	.			trans	59.7	9.5	-179	-54.7	-176.6	179.7	-177.6	-0.1	116.1	P48 C49	P48-R53 HydrophobicContact CB-CB 4.46Å; C49-R53 WeakPolarHBondContact O-CA 3.44Å; C49-R53 PolarHBondContact O-N 3.13Å
54	H	84.4	Confident	81.7	Confident	97 Å²	97	66.1 Å²	66.1	45%	0.449	39%	0.389	S	S	.	.			trans	-59.4	130.1	172.1	-167.3	82.7	0	0	0	110.2	C27 C49 C52 S56	C27-H54 HydrophobicContact CB-CB 3.76Å; C49-H54 PolarHBondContact N-O 3.43Å; C52-H54 PolarHBondContact O-N 3.31Å; H54-S56 PolarHBondContact O-N 3.43Å
55	P	82.1	Confident	82.9	Confident	81 Å²	81	72.3 Å²	72.3	53%	0.526	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	130.3	178.8	25.7	-31.2	0	0	0	109.9	P46	P46-P55 HydrophobicContact CB-CB 4.48Å
56	S	81.8	Confident	83.7	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.007	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140.1	178.9	-65.5	0	0	0	0	110.9	E26 P46 F47 H54	E26-S56 WeakPolarHBondContact OE2-CA 3.47Å; P46-S56 CarbonylContact C-O 3.58Å; P46-S56 WeakPolarHBondContact CA-O 3.28Å; F47-S56 WeakPolarHBondContact CD1-O 3.46Å; F47-S56 WeakPolarHBondContact CE1-O 3.5Å; F47-S56 PolarHBondContact N-O 3.05Å; F47-S56 PolarHBondContact O-N 3.34Å; H54-S56 PolarHBondContact O-N 3.43Å
57	A	81	Confident	84.3	Confident	33 Å²	33	69.3 Å²	69.3	27%	0.273	37%	0.372	S	S	.	.			trans	-83.6	142.4	177.1	0	0	0	0	0	111.9	E26 A59 A60	E26-A57 PolarHBondContact OE2-N 3.28Å; A57-A59 PolarHBondContact O-N 3.21Å; A57-A60 HydrophobicContact CB-CB 4.33Å; A57-A60 WeakPolarHBondContact O-CB 3.37Å; A57-A60 PolarHBondContact O-N 3.27Å
58	P	76.9	Confident	84.5	Confident	32 Å²	32	70.3 Å²	70.3	21%	0.208	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-56.4	-33.4	173.1	-27.5	35.9	0	0	0	113.7	W40 G45 F47 A60 L61	W40-P58 HydrophobicContact CH2-CB 3.85Å; W40-P58 HydrophobicContact CZ2-CB 3.75Å; W40-P58 HydrophobicContact CZ2-CG 4.24Å; W40-P58 HydrophobicContact CZ3-CB 4.42Å; G45-P58 WeakPolarHBondContact O-CD 2.97Å; F47-P58 HydrophobicContact CD1-CG 4.11Å; F47-P58 HydrophobicContact CE1-CG 4.24Å; P58-A60 PolarHBondContact O-N 3.12Å; P58-L61 WeakPolarHBondContact O-CG 3.37Å; P58-L61 PolarHBondContact O-N 3Å
59	A	76.4	Confident	84.5	Confident	97 Å²	97	75.9 Å²	75.9	80%	0.802	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-67.2	-19.4	176.5	0	0	0	0	0	113.5	A57 L61	A57-A59 PolarHBondContact O-N 3.21Å; A59-L61 VanDerWaalsContact C-N 3.34Å
60	A	78.5	Confident	84.4	Confident	19 Å²	19	80.2 Å²	80.2	16%	0.157	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-90.1	2.2	-178.2	0	0	0	0	0	113.6	E26 A57 P58 R62	E26-A60 HydrophobicContact CG-CB 3.34Å; E26-A60 WeakPolarHBondContact OE1-CB 3.47Å; A57-A60 HydrophobicContact CB-CB 4.33Å; A57-A60 WeakPolarHBondContact O-CB 3.37Å; A57-A60 PolarHBondContact O-N 3.27Å; P58-A60 PolarHBondContact O-N 3.12Å; A60-R62 PolarHBondContact O-N 2.91Å
61	L	85.9	Confident	84.2	Confident	19 Å²	19	77.5 Å²	77.5	10%	0.099	40%	0.396	C	S	.	.			trans	-62.8	122.3	173.5	-71.6	178.3	0	0	0	111.5	V23 I25 L36 W40 F47 P58 A59	V23-L61 HydrophobicContact CB-CD2 4.15Å; V23-L61 HydrophobicContact CG2-CD2 3.88Å; I25-L61 HydrophobicContact CG2-CD2 3.35Å; L36-L61 HydrophobicContact CD1-CD2 3.58Å; W40-L61 HydrophobicContact CH2-CD1 3.63Å; W40-L61 HydrophobicContact CZ2-CD1 3.42Å; W40-L61 VanDerWaalsContact CZ2-CD1 3.42Å; W40-L61 HydrophobicContact CZ2-CG 4.3Å; F47-L61 HydrophobicContact CZ-CD2 4.4Å; P58-L61 WeakPolarHBondContact O-CG 3.37Å; P58-L61 PolarHBondContact O-N 3Å; A59-L61 VanDerWaalsContact C-N 3.34Å
62	R	89.5	Confident	83.8	Confident	184 Å²	184	77 Å²	77	69%	0.694	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.9	174.4	-61.3	-59.1	-176.7	175.1	-1.6	109.8	V23 S24 A60 N64	V23-R62 CarbonylContact C-O 3.53Å; V23-R62 WeakPolarHBondContact CA-O 3.26Å; S24-R62 PolarHBondContact N-O 3.28Å; S24-R62 PolarHBondContact O-N 3.32Å; A60-R62 PolarHBondContact O-N 2.91Å; R62-N64 PolarHBondContact O-N 3.33Å
63	P	89.4	Confident	83.2	Confident	56 Å²	56	79.4 Å²	79.4	36%	0.364	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	129	171.4	-23	33.1	0	0	0	110.9	W65	P63-W65 HydrophobicContact CB-CD2 4.46Å; P63-W65 HydrophobicContact CB-CZ2 3.98Å; P63-W65 HydrophobicContact CG-CZ2 4.44Å; P63-W65 PolarHBondContact O-N 3.06Å
64	N	89.7	Confident	82.6	Confident	39 Å²	39	71.3 Å²	71.3	21%	0.209	37%	0.37	C	S	.	.			trans	-96.8	81.5	177.7	-168.9	-23.3	0	0	0	109.9	P22 S24 N30 R62 A66 L67 A68	P22-N64 HydrophobicContact CB-CB 4.32Å; P22-N64 WeakPolarHBondContact CG-O 3.45Å; P22-N64 PolarHBondContact O-N 3.22Å; S24-N64 PolarHBondContact OG-ND2 3.41Å; N30-N64 PolarHBondContact OD1-ND2 3.27Å; R62-N64 PolarHBondContact O-N 3.33Å; N64-A66 PolarHBondContact O-N 2.95Å; N64-A66 PolarHBondContact OD1-N 3.19Å; N64-L67 HydrophobicContact CB-CB 3.99Å; N64-L67 VanDerWaalsContact CG-CB 3.43Å; N64-L67 PolarHBondContact O-N 2.85Å; N64-L67 WeakPolarHBondContact OD1-CB 3.48Å; N64-L67 PolarHBondContact OD1-N 3.27Å; N64-A68 PolarHBondContact O-N 3.16Å
65	W	86.9	Confident	81.9	Confident	190 Å²	190	70.3 Å²	70.3	72%	0.72	36%	0.363	S	S	*	.	H	α-helix	trans	-61.1	-30.5	-179.4	-57.9	105.7	0	0	0	113.4	P63 R69	P63-W65 HydrophobicContact CB-CD2 4.46Å; P63-W65 HydrophobicContact CB-CZ2 3.98Å; P63-W65 HydrophobicContact CG-CZ2 4.44Å; P63-W65 PolarHBondContact O-N 3.06Å; W65-R69 VanDerWaalsContact O-CB 3.26Å; W65-R69 WeakPolarHBondContact O-CB 3.43Å; W65-R69 PolarHBondContact O-N 2.92Å
66	A	86.8	Confident	81	Confident	64 Å²	64	75 Å²	75	53%	0.529	37%	0.37	S	S	.	.	H	α-helix	trans	-66.2	-46.7	176.7	0	0	0	0	0	110.5	N64 R69 L70	N64-A66 PolarHBondContact O-N 2.95Å; N64-A66 PolarHBondContact OD1-N 3.19Å; A66-R69 PolarHBondContact O-N 3.46Å; A66-L70 WeakPolarHBondContact O-CB 3.47Å; A66-L70 VanDerWaalsContact O-CG 3.29Å; A66-L70 WeakPolarHBondContact O-CG 3.46Å; A66-L70 PolarHBondContact O-N 2.98Å
67	L	86.9	Confident	80.3	Confident	18 Å²	18	84.2 Å²	84.2	9%	0.094	41%	0.405	C	S	.	.	H	α-helix	trans	-65	-41	176.5	-164.6	59.8	0	0	0	111.4	L10 F19 P22 N30 N64 R69 L70 T71	L10-L67 HydrophobicContact CD2-CD1 3.61Å; F19-L67 HydrophobicContact CD1-CD2 4.35Å; F19-L67 HydrophobicContact CD2-CD1 4.06Å; F19-L67 HydrophobicContact CD2-CD2 3.53Å; F19-L67 HydrophobicContact CD2-CG 3.71Å; F19-L67 HydrophobicContact CE1-CD2 4.39Å; F19-L67 HydrophobicContact CE2-CD1 4.23Å; F19-L67 HydrophobicContact CE2-CD2 3.59Å; F19-L67 HydrophobicContact CE2-CG 4.15Å; F19-L67 HydrophobicContact CG-CD2 3.94Å; F19-L67 HydrophobicContact CG-CG 4.25Å; F19-L67 HydrophobicContact CZ-CD2 4.03Å; P22-L67 HydrophobicContact CB-CB 4.11Å; P22-L67 HydrophobicContact CB-CD2 3.75Å; P22-L67 HydrophobicContact CB-CG 4.07Å; P22-L67 HydrophobicContact CG-CB 3.95Å; P22-L67 HydrophobicContact CG-CD2 4.43Å; P22-L67 HydrophobicContact CG-CG 4.21Å; N30-L67 HydrophobicContact CB-CD2 3.59Å; N64-L67 HydrophobicContact CB-CB 3.99Å; N64-L67 VanDerWaalsContact CG-CB 3.43Å; N64-L67 PolarHBondContact O-N 2.85Å; N64-L67 WeakPolarHBondContact OD1-CB 3.48Å; N64-L67 PolarHBondContact OD1-N 3.27Å; L67-R69 VanDerWaalsContact C-N 3.33Å; L67-R69 PolarHBondContact O-N 3.42Å; L67-L70 PolarHBondContact O-N 3.27Å; L67-T71 PolarHBondContact O-N 2.92Å; L67-T71 PolarHBondContact O-OG1 3.01Å
68	A	84.8	Confident	79.3	Confident	29 Å²	29	89.3 Å²	89.3	24%	0.24	42%	0.417	C	S	.	.	H	α-helix	trans	-60.2	-41.5	174.5	0	0	0	0	0	112.3	P22 N64 T71 E72	P22-A68 HydrophobicContact CG-CB 3.72Å; P22-A68 VanDerWaalsContact CG-N 3.35Å; N64-A68 PolarHBondContact O-N 3.16Å; A68-T71 WeakPolarHBondContact CA-OG1 3.29Å; A68-T71 PolarHBondContact O-OG1 3.28Å; A68-T71 VanDerWaalsContact O-OG1 3.1Å; A68-E72 VanDerWaalsContact O-CB 3.26Å; A68-E72 WeakPolarHBondContact O-CB 3.39Å; A68-E72 PolarHBondContact O-N 2.79Å
69	R	83.6	Confident	78.3	Confident	203 Å²	203	92.6 Å²	92.6	77%	0.766	43%	0.432	S	S	*	.	H	α-helix	trans	-70.4	-37.4	178.6	-171.2	178.4	-178.5	-164.4	1.2	111.7	W65 A66 L67 K73	W65-R69 VanDerWaalsContact O-CB 3.26Å; W65-R69 WeakPolarHBondContact O-CB 3.43Å; W65-R69 PolarHBondContact O-N 2.92Å; A66-R69 PolarHBondContact O-N 3.46Å; L67-R69 VanDerWaalsContact C-N 3.33Å; L67-R69 PolarHBondContact O-N 3.42Å; R69-K73 VanDerWaalsContact O-CB 3.23Å; R69-K73 WeakPolarHBondContact O-CB 3.23Å; R69-K73 PolarHBondContact O-N 2.98Å
70	L	84.1	Confident	77.4	Confident	92 Å²	92	89.9 Å²	89.9	48%	0.482	41%	0.413	S	S	.	.	H	α-helix	trans	-69	-46.3	176.5	-72.4	170.2	0	0	0	111.1	L10 A66 L67 E72 K73 T74	L10-L70 HydrophobicContact CD2-CB 3.99Å; A66-L70 WeakPolarHBondContact O-CB 3.47Å; A66-L70 VanDerWaalsContact O-CG 3.29Å; A66-L70 WeakPolarHBondContact O-CG 3.46Å; A66-L70 PolarHBondContact O-N 2.98Å; L67-L70 PolarHBondContact O-N 3.27Å; L70-E72 PolarHBondContact O-N 3.4Å; L70-K73 PolarHBondContact O-N 3.29Å; L70-T74 WeakPolarHBondContact O-CB 3.35Å; L70-T74 PolarHBondContact O-N 2.96Å; L70-T74 PolarHBondContact O-OG1 3.25Å
71	T	81.5	Confident	76.4	Confident	5 Å²	5	95 Å²	95	3%	0.031	45%	0.445	C	S	.	.	H	α-helix	trans	-62.5	-41.3	175.8	48.5	0	0	0	0	112.2	L10 Y18 F19 L67 A68 T74 R75	L10-T71 HydrophobicContact CB-CG2 4.07Å; L10-T71 HydrophobicContact CD2-CG2 4.16Å; L10-T71 WeakPolarHBondContact O-CG2 3.26Å; Y18-T71 HydrophobicContact CD1-CG2 4.33Å; F19-T71 HydrophobicContact CB-CG2 3.9Å; F19-T71 HydrophobicContact CD2-CG2 4.18Å; F19-T71 PolarHBondContact O-OG1 3.3Å; L67-T71 PolarHBondContact O-N 2.92Å; L67-T71 PolarHBondContact O-OG1 3.01Å; A68-T71 WeakPolarHBondContact CA-OG1 3.29Å; A68-T71 PolarHBondContact O-OG1 3.28Å; A68-T71 VanDerWaalsContact O-OG1 3.1Å; T71-T74 PolarHBondContact O-N 3.1Å; T71-R75 WeakPolarHBondContact O-CB 3.3Å; T71-R75 WeakPolarHBondContact O-CG 3.43Å; T71-R75 PolarHBondContact O-N 2.79Å
72	E	76.9	Confident	75.1	Confident	85 Å²	85	96.5 Å²	96.5	40%	0.397	46%	0.455	S	S	.	.	H	α-helix	trans	-64.7	-42.6	175.7	-179.2	61.3	-167.2	0	0	112	A68 L70 T74 R75 R76	A68-E72 VanDerWaalsContact O-CB 3.26Å; A68-E72 WeakPolarHBondContact O-CB 3.39Å; A68-E72 PolarHBondContact O-N 2.79Å; L70-E72 PolarHBondContact O-N 3.4Å; E72-T74 VanDerWaalsContact C-N 3.32Å; E72-T74 PolarHBondContact O-N 3.37Å; E72-R75 PolarHBondContact O-N 3.2Å; E72-R76 WeakPolarHBondContact O-CB 3.36Å; E72-R76 WeakPolarHBondContact O-CG 3.46Å; E72-R76 PolarHBondContact O-N 3.3Å; E72-R76 IonicContact OE1-CZ 2.76Å; E72-R76 IonicContact OE1-NE 3.62Å; E72-R76 PolarHBondContact OE1-NE 3Å; E72-R76 IonicContact OE1-NH2 3.81Å; E72-R76 PolarHBondContact OE1-NH2 3.15Å
73	K	75.4	Confident	74	Confident	117 Å²	117	90.9 Å²	90.9	51%	0.509	44%	0.442	S	S	.	.	H	α-helix	trans	-64.8	-37.8	177.2	-168.4	179	-177.2	-176	0	111.4	R69 L70 R77	R69-K73 VanDerWaalsContact O-CB 3.23Å; R69-K73 WeakPolarHBondContact O-CB 3.23Å; R69-K73 PolarHBondContact O-N 2.98Å; L70-K73 PolarHBondContact O-N 3.29Å; K73-R77 WeakPolarHBondContact O-CB 3.3Å; K73-R77 VanDerWaalsContact O-CG 3.25Å; K73-R77 WeakPolarHBondContact O-CG 3.42Å; K73-R77 PolarHBondContact O-N 3.27Å
74	T	72.6	Confident	73	Confident	36 Å²	36	94.8 Å²	94.8	22%	0.221	47%	0.468	C	S	.	.	H	α-helix	trans	-72.6	-41	176.3	-56.8	0	0	0	0	111.6	L10 Y18 L70 T71 E72 R77 R78	L10-T74 HydrophobicContact CD1-CG2 4.21Å; L10-T74 WeakPolarHBondContact CD1-OG1 3.06Å; Y18-T74 HydrophobicContact CE1-CG2 4.1Å; L70-T74 WeakPolarHBondContact O-CB 3.35Å; L70-T74 PolarHBondContact O-N 2.96Å; L70-T74 PolarHBondContact O-OG1 3.25Å; T71-T74 PolarHBondContact O-N 3.1Å; E72-T74 VanDerWaalsContact C-N 3.32Å; E72-T74 PolarHBondContact O-N 3.37Å; T74-R77 PolarHBondContact O-N 2.9Å; T74-R78 PolarHBondContact O-N 2.93Å
75	R	69.4	Low	72.3	Confident	77 Å²	77	95.1 Å²	95.1	29%	0.291	48%	0.48	S	S	.	.	H	α-helix	trans	-57.5	-49.6	171.6	-82.2	-175.4	-178.9	-150.7	0.5	111.1	Y18 T71 E72 R77 R78 L79	Y18-R75 HydrophobicContact CD2-CG 4.44Å; Y18-R75 PolarHBondContact O-NH2 3.26Å; T71-R75 WeakPolarHBondContact O-CB 3.3Å; T71-R75 WeakPolarHBondContact O-CG 3.43Å; T71-R75 PolarHBondContact O-N 2.79Å; E72-R75 PolarHBondContact O-N 3.2Å; R75-R77 VanDerWaalsContact C-N 3.34Å; R75-R77 PolarHBondContact O-N 2.9Å; R75-R78 PolarHBondContact O-N 3.46Å; R75-L79 HydrophobicContact CB-CD1 4.39Å; R75-L79 VanDerWaalsContact O-CB 3.3Å; R75-L79 WeakPolarHBondContact O-CB 3.33Å; R75-L79 WeakPolarHBondContact O-CG 3.25Å; R75-L79 PolarHBondContact O-N 2.89Å
76	R	64.1	Low	72.1	Confident	179 Å²	179	88.4 Å²	88.4	68%	0.675	46%	0.458	S	S	*	.	H	α-helix	trans	-62.5	-36.9	176.5	-73.4	-178.2	-177.7	-126.1	-1.7	113.4	E72 G80	E72-R76 WeakPolarHBondContact O-CB 3.36Å; E72-R76 WeakPolarHBondContact O-CG 3.46Å; E72-R76 PolarHBondContact O-N 3.3Å; E72-R76 IonicContact OE1-CZ 2.76Å; E72-R76 IonicContact OE1-NE 3.62Å; E72-R76 PolarHBondContact OE1-NE 3Å; E72-R76 IonicContact OE1-NH2 3.81Å; E72-R76 PolarHBondContact OE1-NH2 3.15Å; R76-G80 PolarHBondContact O-N 3.42Å
77	R	65.4	Low	71.8	Confident	195 Å²	195	85.8 Å²	85.8	74%	0.736	44%	0.435	S	S	*	.	H	α-helix	trans	-70.8	-33.4	177.3	-80.8	179.1	172.8	-150	-4.1	113	K73 T74 R75	K73-R77 WeakPolarHBondContact O-CB 3.3Å; K73-R77 VanDerWaalsContact O-CG 3.25Å; K73-R77 WeakPolarHBondContact O-CG 3.42Å; K73-R77 PolarHBondContact O-N 3.27Å; T74-R77 PolarHBondContact O-N 2.9Å; R75-R77 VanDerWaalsContact C-N 3.34Å; R75-R77 PolarHBondContact O-N 2.9Å
78	R	60.3	Low	71.4	Confident	140 Å²	140	89.4 Å²	89.4	53%	0.528	46%	0.463	S	S	.	.	H	α-helix	trans	-85.1	-32.6	178	-72.5	-167.6	-175.9	-107	7.2	113.6	Y18 T74 R75	Y18-R78 PolarHBondContact OH-NE 3.14Å; Y18-R78 VanDerWaalsContact OH-NE 3.15Å; T74-R78 PolarHBondContact O-N 2.93Å; R75-R78 PolarHBondContact O-N 3.46Å
79	L	56.6	Low	71	Confident	101 Å²	101	95 Å²	95	53%	0.529	48%	0.478	S	S	.	.	H	α-helix	trans	-90.3	-18.4	-174.7	-70.1	162.8	0	0	0	114.4	R75 W91	R75-L79 HydrophobicContact CB-CD1 4.39Å; R75-L79 VanDerWaalsContact O-CB 3.3Å; R75-L79 WeakPolarHBondContact O-CB 3.33Å; R75-L79 WeakPolarHBondContact O-CG 3.25Å; R75-L79 PolarHBondContact O-N 2.89Å; L79-W91 HydrophobicContact CB-CH2 4.24Å; L79-W91 HydrophobicContact CB-CZ2 4.25Å; L79-W91 WeakPolarHBondContact O-CH2 3.2Å
80	G	56.9	Low	70.7	Confident	40 Å²	40	88.3 Å²	88.3	41%	0.412	46%	0.455	S	S	.	.			trans	61	176.4	179.9	0	0	0	0	0	114.2	R76	R76-G80 PolarHBondContact O-N 3.42Å
81	P	58.3	Low	70.1	Confident	126 Å²	126	88.4 Å²	88.4	82%	0.818	45%	0.449	S	S	*	.	S	Bend	trans	-67.2	133.5	166	15.9	-10.6	0	0	0	109.6	P83	P81-P83 VanDerWaalsContact O-CD 3.24Å; P81-P83 WeakPolarHBondContact O-CD 3.18Å
82	V	58.5	Low	70	Confident	50 Å²	50	92.8 Å²	92.8	30%	0.303	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-53.1	120.5	175	-180	0	0	0	0	108.8	L86 W91	V82-L86 HydrophobicContact CG1-CB 3.64Å; V82-W91 HydrophobicContact CB-CH2 4.17Å; V82-W91 HydrophobicContact CB-CZ3 4.15Å; V82-W91 HydrophobicContact CG1-CE3 4.35Å; V82-W91 HydrophobicContact CG1-CZ3 4.38Å; V82-W91 HydrophobicContact CG2-CD2 4.25Å; V82-W91 HydrophobicContact CG2-CE3 4.19Å; V82-W91 HydrophobicContact CG2-CH2 3.43Å; V82-W91 VanDerWaalsContact CG2-CH2 3.43Å; V82-W91 HydrophobicContact CG2-CZ2 3.46Å; V82-W91 VanDerWaalsContact CG2-CZ2 3.46Å; V82-W91 HydrophobicContact CG2-CZ3 3.81Å
83	P	65.1	Low	70.4	Confident	67 Å²	67	91.2 Å²	91.2	44%	0.435	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-51.8	141.2	174.7	-28	31.1	0	0	0	112.4	P81 G85 L86	P81-P83 VanDerWaalsContact O-CD 3.24Å; P81-P83 WeakPolarHBondContact O-CD 3.18Å; P83-G85 PolarHBondContact O-N 3.07Å; P83-L86 HydrophobicContact CB-CD1 3.91Å; P83-L86 HydrophobicContact CB-CG 4.36Å; P83-L86 HydrophobicContact CG-CD1 3.8Å; P83-L86 PolarHBondContact O-N 3.02Å
84	P	68.7	Low	71.1	Confident	138 Å²	138	87.3 Å²	87.3	90%	0.896	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	129.4	173.8	-22.2	31.1	0	0	0	110.8
85	G	76.3	Confident	71.8	Confident	45 Å²	45	92.8 Å²	92.8	46%	0.464	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	0.7	-178.9	0	0	0	0	0	115.4	P83 L94	P83-G85 PolarHBondContact O-N 3.07Å; G85-L94 PolarHBondContact O-N 3.4Å
86	L	81.3	Confident	72.9	Confident	49 Å²	49	90 Å²	90	26%	0.257	46%	0.457	S	S	.	.	B	Isolated β-bridge	trans	-104.6	147.7	171.7	-61.8	178.7	0	0	0	111.9	V82 P83 E92 P93	V82-L86 HydrophobicContact CG1-CB 3.64Å; P83-L86 HydrophobicContact CB-CD1 3.91Å; P83-L86 HydrophobicContact CB-CG 4.36Å; P83-L86 HydrophobicContact CG-CD1 3.8Å; P83-L86 PolarHBondContact O-N 3.02Å; L86-E92 CarbonylContact C-O 3.58Å; L86-E92 WeakPolarHBondContact CA-O 3.44Å; L86-P93 HydrophobicContact CD2-CB 4.43Å; L86-P93 HydrophobicContact CD2-CG 4.05Å
87	C	81.8	Confident	74.2	Confident	9 Å²	9	82.7 Å²	82.7	6%	0.061	43%	0.431	C	S	.	.			trans	-70.1	129.8	174.8	-179.8	0	0	0	0	110.6	R89 W91 E92 L94 C106 C109	C87-R89 PolarHBondContact O-N 3.33Å; C87-W91 WeakPolarHBondContact O-CA 3.47Å; C87-W91 PolarHBondContact O-N 3.05Å; C87-E92 WeakPolarHBondContact CB-O 3.28Å; C87-E92 PolarHBondContact N-O 2.63Å; C87-L94 HydrophobicContact CB-CD2 3.78Å; C87-C106 HydrophobicContact CB-CB 3.75Å; C87-C109 VanDerWaalsContact SG-SG 3.62Å
88	S	77.8	Confident	75.5	Confident	95 Å²	95	73.4 Å²	73.4	66%	0.664	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-23	179.2	54	0	0	0	0	114.5
89	R	77.1	Confident	77	Confident	147 Å²	147	69.4 Å²	69.4	56%	0.555	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-42.4	180	-69.7	175.5	67	178.8	1	112.8	C87 E114	C87-R89 PolarHBondContact O-N 3.33Å; R89-E114 IonicContact NH1-OE2 3.37Å; R89-E114 PolarHBondContact NH1-OE2 3.42Å
90	H	77.4	Confident	78.6	Confident	61 Å²	61	69.3 Å²	69.3	28%	0.282	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-7.5	-169.4	-52.1	118.1	0	0	0	113.6	E92 C106 V108 C109	H90-E92 HydrophobicContact CB-CB 4.37Å; H90-E92 HydrophobicContact CB-CG 4.22Å; H90-E92 PolarHBondContact O-N 3.13Å; H90-E92 VanDerWaalsContact O-N 3.07Å; H90-C106 PolarHBondContact ND1-SG 3.43Å; H90-C106 VanDerWaalsContact ND1-SG 3.36Å; H90-V108 HydrophobicContact CB-CB 4.32Å; H90-C109 PolarHBondContact CE1-SG 2.75Å; H90-C109 PolarHBondContact ND1-SG 3.49Å
91	W	70.2	Confident	80	Confident	95 Å²	95	70.2 Å²	70.2	36%	0.36	38%	0.378	S	S	.	.			trans	57.8	18.7	-176.3	-65.4	76.6	0	0	0	114.5	L79 V82 C87	L79-W91 HydrophobicContact CB-CH2 4.24Å; L79-W91 HydrophobicContact CB-CZ2 4.25Å; L79-W91 WeakPolarHBondContact O-CH2 3.2Å; V82-W91 HydrophobicContact CB-CH2 4.17Å; V82-W91 HydrophobicContact CB-CZ3 4.15Å; V82-W91 HydrophobicContact CG1-CE3 4.35Å; V82-W91 HydrophobicContact CG1-CZ3 4.38Å; V82-W91 HydrophobicContact CG2-CD2 4.25Å; V82-W91 HydrophobicContact CG2-CE3 4.19Å; V82-W91 HydrophobicContact CG2-CH2 3.43Å; V82-W91 VanDerWaalsContact CG2-CH2 3.43Å; V82-W91 HydrophobicContact CG2-CZ2 3.46Å; V82-W91 VanDerWaalsContact CG2-CZ2 3.46Å; V82-W91 HydrophobicContact CG2-CZ3 3.81Å; C87-W91 WeakPolarHBondContact O-CA 3.47Å; C87-W91 PolarHBondContact O-N 3.05Å
92	E	80	Confident	81.5	Confident	97 Å²	97	69.5 Å²	69.5	45%	0.453	36%	0.364	S	S	.	.			trans	-92.6	149.9	178.7	-76	-62.7	151.4	0	0	111.9	L86 C87 H90 L94 C106 V108	L86-E92 CarbonylContact C-O 3.58Å; L86-E92 WeakPolarHBondContact CA-O 3.44Å; C87-E92 WeakPolarHBondContact CB-O 3.28Å; C87-E92 PolarHBondContact N-O 2.63Å; H90-E92 HydrophobicContact CB-CB 4.37Å; H90-E92 HydrophobicContact CB-CG 4.22Å; H90-E92 PolarHBondContact O-N 3.13Å; H90-E92 VanDerWaalsContact O-N 3.07Å; E92-L94 PolarHBondContact O-N 3.43Å; E92-C106 HydrophobicContact CB-CB 3.69Å; E92-V108 HydrophobicContact CG-CG2 4.15Å
93	P	84.7	Confident	83	Confident	51 Å²	51	71.7 Å²	71.7	33%	0.331	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-53.9	131.4	174.3	-25.7	35.5	0	0	0	112.8	L86 R95 C106	L86-P93 HydrophobicContact CD2-CB 4.43Å; L86-P93 HydrophobicContact CD2-CG 4.05Å; P93-R95 HydrophobicContact CB-CG 4.2Å; P93-R95 PolarHBondContact O-N 2.86Å; P93-C106 WeakPolarHBondContact O-CB 3.44Å
94	L	90	Very high	84.2	Confident	35 Å²	35	71.4 Å²	71.4	18%	0.183	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	107.9	171.5	-62.7	173.6	0	0	0	108.5	G85 C87 E92 P104 C106	G85-L94 PolarHBondContact O-N 3.4Å; C87-L94 HydrophobicContact CB-CD2 3.78Å; E92-L94 PolarHBondContact O-N 3.43Å; L94-P104 HydrophobicContact CB-CB 4.17Å; L94-P104 HydrophobicContact CD1-CB 4.11Å; L94-P104 HydrophobicContact CD1-CG 4.03Å; L94-C106 HydrophobicContact CD2-CB 4.42Å
95	R	89	Confident	85.2	Confident	152 Å²	152	65 Å²	65	57%	0.574	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	-17	-174.7	-66.4	-65.1	-169.7	169.2	0.8	113.3	P93 V105 I123	P93-R95 HydrophobicContact CB-CG 4.2Å; P93-R95 PolarHBondContact O-N 2.86Å; R95-V105 PolarHBondContact N-O 3.17Å; R95-I123 WeakPolarHBondContact O-CB 3.24Å; R95-I123 PolarHBondContact O-N 3.3Å
96	L	90.9	Very high	85.8	Confident	17 Å²	17	62.9 Å²	62.9	9%	0.089	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	152.8	-177.2	-60.2	175.8	0	0	0	109.8	P104 V105 L107 R110 M120 A121	L96-P104 CarbonylContact O-C 3.57Å; L96-P104 VanDerWaalsContact O-CA 3.3Å; L96-P104 WeakPolarHBondContact O-CA 3.45Å; L96-V105 HydrophobicContact CB-CG2 3.87Å; L96-V105 PolarHBondContact N-O 3.16Å; L96-V105 VanDerWaalsContact N-O 3.1Å; L96-V105 PolarHBondContact O-N 3.36Å; L96-L107 HydrophobicContact CD1-CD2 3.78Å; L96-L107 HydrophobicContact CG-CD2 4.1Å; L96-R110 HydrophobicContact CD1-CB 4Å; L96-R110 HydrophobicContact CD1-CG 4.23Å; L96-M120 HydrophobicContact CB-SD 4.47Å; L96-A121 CarbonylContact C-O 3.57Å; L96-A121 WeakPolarHBondContact CA-O 3.41Å
97	F	93.3	Very high	86.1	Confident	26 Å²	26	65.4 Å²	65.4	11%	0.114	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.9	168.5	-177.9	-99.1	0	0	0	108.5	E99 Q102 M120 A121 A126 Y130	F97-E99 HydrophobicContact CD1-CG 4.36Å; F97-Q102 VanDerWaalsContact CE2-C 3.48Å; F97-Q102 HydrophobicContact CZ-CB 4.33Å; F97-M120 WeakPolarHBondContact O-CA 3.36Å; F97-A121 PolarHBondContact N-O 3.11Å; F97-A121 PolarHBondContact O-N 3.47Å; F97-A126 HydrophobicContact CB-CB 3.69Å; F97-A126 HydrophobicContact CD1-CB 4.08Å; F97-A126 HydrophobicContact CG-CB 4.01Å; F97-Y130 HydrophobicContact CD1-CE2 4.13Å; F97-Y130 HydrophobicContact CE1-CD2 4.35Å; F97-Y130 AromaticContact CE1-CE2 3.52Å; F97-Y130 HydrophobicContact CE1-CE2 3.52Å; F97-Y130 HydrophobicContact CZ-CE2 4.08Å
98	C	91.9	Very high	86.3	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	116.6	173	-173.1	0	0	0	0	108.5	D101 Q102 R103 V105 H115 H118 M120	C98-D101 HydrophobicContact CB-CB 4.16Å; C98-D101 PolarHBondContact SG-OD2 3.36Å; C98-Q102 WeakPolarHBondContact O-CA 3.44Å; C98-Q102 PolarHBondContact O-N 3.23Å; C98-R103 PolarHBondContact N-O 3.45Å; C98-R103 PolarHBondContact O-N 3.29Å; C98-V105 HydrophobicContact CB-CG1 4.22Å; C98-V105 HydrophobicContact CB-CG2 4.46Å; C98-H115 PolarHBondContact SG-ND1 2.76Å; C98-H118 WeakPolarHBondContact SG-CB 3.3Å; C98-H118 PolarHBondContact SG-ND1 2.77Å; C98-H118 VanDerWaalsContact SG-ND1 3.42Å; C98-M120 HydrophobicContact CB-CE 3.81Å; C98-M120 HydrophobicContact CB-SD 3.85Å; C98-M120 VanDerWaalsContact SG-CE 3.59Å
99	E	90.8	Very high	86.7	Confident	56 Å²	56	64.1 Å²	64.1	26%	0.262	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-36.2	-178.6	-70	-72.2	-179.2	0	0	111.8	F97 Q102 A119 Y130	F97-E99 HydrophobicContact CD1-CG 4.36Å; E99-Q102 PolarHBondContact O-NE2 2.79Å; E99-A119 HydrophobicContact CB-CB 4.06Å; E99-A119 HydrophobicContact CG-CB 4.39Å; E99-A119 PolarHBondContact N-O 3.03Å; E99-Y130 WeakPolarHBondContact OE2-CE2 3.34Å; E99-Y130 PolarHBondContact OE2-OH 3.34Å
100	D	91.3	Very high	87	Confident	99 Å²	99	63 Å²	63	53%	0.529	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-45.5	178.8	-56.5	-86.6	0	0	0	112.3	H118 A119	D100-H118 HydrophobicContact CB-CB 4.2Å; D100-H118 WeakPolarHBondContact OD2-CA 3.36Å; D100-H118 VanDerWaalsContact OD2-CB 3.27Å; D100-H118 WeakPolarHBondContact OD2-CB 3.5Å; D100-H118 IonicContact OD2-CG 3.82Å; D100-A119 PolarHBondContact OD2-N 3.42Å
101	D	87	Confident	87.4	Confident	59 Å²	59	67 Å²	67	32%	0.316	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-3	-178.4	-61.7	-58.3	0	0	0	114	C98 R103 H115 H118	C98-D101 HydrophobicContact CB-CB 4.16Å; C98-D101 PolarHBondContact SG-OD2 3.36Å; D101-R103 HydrophobicContact CB-CG 3.85Å; D101-R103 PolarHBondContact O-N 3.32Å; D101-R103 VanDerWaalsContact O-N 3.14Å; D101-H115 IonicContact OD2-CE1 2.79Å; D101-H115 PolarHBondContact OD2-CE1 3.13Å; D101-H115 IonicContact OD2-ND1 3.45Å; D101-H115 PolarHBondContact OD2-ND1 3.5Å; D101-H118 IonicContact OD1-CE1 2.86Å; D101-H118 IonicContact OD1-ND1 2.93Å; D101-H118 IonicContact OD2-CE1 3.2Å; D101-H118 PolarHBondContact OD2-CE1 2.93Å; D101-H118 IonicContact OD2-ND1 2.79Å; D101-H118 PolarHBondContact OD2-ND1 3.03Å
102	Q	89.6	Confident	88.1	Confident	111 Å²	111	63.8 Å²	63.8	52%	0.519	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	39.1	179.9	-67.3	-73.6	-53.9	0	0	113.6	F97 C98 E99 Y130	F97-Q102 VanDerWaalsContact CE2-C 3.48Å; F97-Q102 HydrophobicContact CZ-CB 4.33Å; C98-Q102 WeakPolarHBondContact O-CA 3.44Å; C98-Q102 PolarHBondContact O-N 3.23Å; E99-Q102 PolarHBondContact O-NE2 2.79Å; Q102-Y130 PolarHBondContact NE2-OH 2.79Å
103	R	89.3	Confident	88.3	Confident	96 Å²	96	67.3 Å²	67.3	36%	0.362	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	147.7	-175.6	71.8	-173.6	-174.8	-172.6	-2.3	112.5	C98 D101 V105 E114 H115	C98-R103 PolarHBondContact N-O 3.45Å; C98-R103 PolarHBondContact O-N 3.29Å; D101-R103 HydrophobicContact CB-CG 3.85Å; D101-R103 PolarHBondContact O-N 3.32Å; D101-R103 VanDerWaalsContact O-N 3.14Å; R103-V105 HydrophobicContact CG-CG1 4.08Å; R103-E114 IonicContact CZ-OE1 2.65Å; R103-E114 IonicContact NH2-OE1 3.3Å; R103-E114 PolarHBondContact NH2-OE1 2.71Å; R103-H115 PolarHBondContact NH2-CE1 3.14Å; R103-H115 VanDerWaalsContact NH2-CE1 3.3Å; R103-H115 PolarHBondContact NH2-NE2 2.98Å
104	P	90.4	Very high	88.1	Confident	62 Å²	62	69.1 Å²	69.1	40%	0.403	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	138.7	171.5	30.2	-34.2	0	0	0	110.8	L94 L96 I123	L94-P104 HydrophobicContact CB-CB 4.17Å; L94-P104 HydrophobicContact CD1-CB 4.11Å; L94-P104 HydrophobicContact CD1-CG 4.03Å; L96-P104 CarbonylContact O-C 3.57Å; L96-P104 VanDerWaalsContact O-CA 3.3Å; L96-P104 WeakPolarHBondContact O-CA 3.45Å; P104-I123 HydrophobicContact CB-CD1 4.02Å
105	V	90.4	Very high	87.9	Confident	4 Å²	4	67.5 Å²	67.5	2%	0.024	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152	-178.8	-59.6	0	0	0	0	111.1	R95 L96 C98 R103 C109 M120	R95-V105 PolarHBondContact N-O 3.17Å; L96-V105 HydrophobicContact CB-CG2 3.87Å; L96-V105 PolarHBondContact N-O 3.16Å; L96-V105 VanDerWaalsContact N-O 3.1Å; L96-V105 PolarHBondContact O-N 3.36Å; C98-V105 HydrophobicContact CB-CG1 4.22Å; C98-V105 HydrophobicContact CB-CG2 4.46Å; R103-V105 HydrophobicContact CG-CG1 4.08Å; V105-C109 HydrophobicContact CB-CB 3.89Å; V105-C109 HydrophobicContact CG1-CB 4.46Å; V105-M120 HydrophobicContact CG2-CE 4.27Å; V105-M120 HydrophobicContact CG2-SD 3.84Å
106	C	88.9	Confident	87.5	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	169.2	172.3	71	0	0	0	0	111.3	C87 H90 E92 P93 L94 V108 C109 R110	C87-C106 HydrophobicContact CB-CB 3.75Å; H90-C106 PolarHBondContact ND1-SG 3.43Å; H90-C106 VanDerWaalsContact ND1-SG 3.36Å; E92-C106 HydrophobicContact CB-CB 3.69Å; P93-C106 WeakPolarHBondContact O-CB 3.44Å; L94-C106 HydrophobicContact CD2-CB 4.42Å; C106-V108 VanDerWaalsContact C-N 3.25Å; C106-V108 PolarHBondContact O-N 3.41Å; C106-C109 WeakPolarHBondContact O-CB 3.45Å; C106-C109 PolarHBondContact O-N 3.3Å; C106-C109 VanDerWaalsContact O-N 3.11Å; C106-C109 PolarHBondContact SG-N 2.79Å; C106-R110 PolarHBondContact O-N 3.34Å
107	L	86.3	Confident	87.3	Confident	101 Å²	101	71.7 Å²	71.7	53%	0.529	36%	0.356	S	S	.	.	H	α-helix	trans	-60.8	-33.8	179.8	-63.1	176.5	0	0	0	112.8	L96 R110	L96-L107 HydrophobicContact CD1-CD2 3.78Å; L96-L107 HydrophobicContact CG-CD2 4.1Å; L107-R110 WeakPolarHBondContact O-CB 3.27Å; L107-R110 PolarHBondContact O-N 3.37Å
108	V	85.8	Confident	87.2	Confident	71 Å²	71	73 Å²	73	43%	0.43	36%	0.362	S	S	.	.	H	α-helix	trans	-68.1	-35.9	177.1	-174.6	0	0	0	0	111.5	H90 E92 C106 R110 E111	H90-V108 HydrophobicContact CB-CB 4.32Å; E92-V108 HydrophobicContact CG-CG2 4.15Å; C106-V108 VanDerWaalsContact C-N 3.25Å; C106-V108 PolarHBondContact O-N 3.41Å; V108-R110 VanDerWaalsContact C-N 3.31Å; V108-R110 PolarHBondContact O-N 2.92Å; V108-E111 PolarHBondContact O-N 3.1Å
109	C	85.7	Confident	87.2	Confident	7 Å²	7	75.6 Å²	75.6	5%	0.047	38%	0.384	C	S	.	.	H	α-helix	trans	-65.8	-34.3	176.1	-72.6	0	0	0	0	112.1	C87 H90 V105 C106 E111 S112 H115	C87-C109 VanDerWaalsContact SG-SG 3.62Å; H90-C109 PolarHBondContact CE1-SG 2.75Å; H90-C109 PolarHBondContact ND1-SG 3.49Å; V105-C109 HydrophobicContact CB-CB 3.89Å; V105-C109 HydrophobicContact CG1-CB 4.46Å; C106-C109 WeakPolarHBondContact O-CB 3.45Å; C106-C109 PolarHBondContact O-N 3.3Å; C106-C109 VanDerWaalsContact O-N 3.11Å; C106-C109 PolarHBondContact SG-N 2.79Å; C109-E111 VanDerWaalsContact C-N 3.3Å; C109-E111 PolarHBondContact O-N 3.24Å; C109-S112 VanDerWaalsContact O-CB 3.28Å; C109-S112 WeakPolarHBondContact O-CB 3.21Å; C109-S112 PolarHBondContact O-N 3.24Å; C109-S112 VanDerWaalsContact O-N 3.13Å; C109-S112 PolarHBondContact O-OG 3.27Å; C109-H115 WeakPolarHBondContact O-CB 3.41Å; C109-H115 PolarHBondContact O-CD2 2.93Å
110	R	85	Confident	87.2	Confident	122 Å²	122	75.2 Å²	75.2	46%	0.46	38%	0.383	S	S	.	.	H	α-helix	trans	-59.9	-41.7	178.2	179	-169.7	178.9	171.9	-0.8	112	L96 C106 L107 V108 S112 M120	L96-R110 HydrophobicContact CD1-CB 4Å; L96-R110 HydrophobicContact CD1-CG 4.23Å; C106-R110 PolarHBondContact O-N 3.34Å; L107-R110 WeakPolarHBondContact O-CB 3.27Å; L107-R110 PolarHBondContact O-N 3.37Å; V108-R110 VanDerWaalsContact C-N 3.31Å; V108-R110 PolarHBondContact O-N 2.92Å; R110-S112 PolarHBondContact O-N 2.86Å; R110-M120 HydrophobicContact CG-CG 4.46Å
111	E	85.1	Confident	87.2	Confident	147 Å²	147	71.3 Å²	71.3	69%	0.687	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-6.7	180	-58.6	-55.4	139.3	0	0	113	V108 C109	V108-E111 PolarHBondContact O-N 3.1Å; C109-E111 VanDerWaalsContact C-N 3.3Å; C109-E111 PolarHBondContact O-N 3.24Å
112	S	85.1	Confident	87.5	Confident	27 Å²	27	71 Å²	71	19%	0.189	37%	0.365	C	S	.	.	S	Bend	trans	-72.4	149.3	176.3	77.6	0	0	0	0	111.4	C109 R110 E114 H115 Q116	C109-S112 VanDerWaalsContact O-CB 3.28Å; C109-S112 WeakPolarHBondContact O-CB 3.21Å; C109-S112 PolarHBondContact O-N 3.24Å; C109-S112 VanDerWaalsContact O-N 3.13Å; C109-S112 PolarHBondContact O-OG 3.27Å; R110-S112 PolarHBondContact O-N 2.86Å; S112-E114 PolarHBondContact O-N 3.14Å; S112-H115 PolarHBondContact O-N 3.17Å; S112-Q116 PolarHBondContact O-N 2.8Å; S112-Q116 VanDerWaalsContact O-N 3.16Å
113	Q	83.1	Confident	87.5	Confident	171 Å²	171	68.1 Å²	68.1	80%	0.799	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-27.7	173.9	-158.1	92.7	25.8	0	0	112.7
114	E	81.6	Confident	87.5	Confident	88 Å²	88	69.1 Å²	69.1	41%	0.411	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-32.2	-179.3	-169.8	-178.3	164.9	0	0	112.7	R89 R103 S112 H118	R89-E114 IonicContact NH1-OE2 3.37Å; R89-E114 PolarHBondContact NH1-OE2 3.42Å; R103-E114 IonicContact CZ-OE1 2.65Å; R103-E114 IonicContact NH2-OE1 3.3Å; R103-E114 PolarHBondContact NH2-OE1 2.71Å; S112-E114 PolarHBondContact O-N 3.14Å; E114-H118 PolarHBondContact O-CE1 3.12Å
115	H	84.9	Confident	87.6	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.009	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	4.4	-172.2	-73.1	-71.2	0	0	0	113.8	C98 D101 R103 C109 S112 T117 H118 M120	C98-H115 PolarHBondContact SG-ND1 2.76Å; D101-H115 IonicContact OD2-CE1 2.79Å; D101-H115 PolarHBondContact OD2-CE1 3.13Å; D101-H115 IonicContact OD2-ND1 3.45Å; D101-H115 PolarHBondContact OD2-ND1 3.5Å; R103-H115 PolarHBondContact NH2-CE1 3.14Å; R103-H115 VanDerWaalsContact NH2-CE1 3.3Å; R103-H115 PolarHBondContact NH2-NE2 2.98Å; C109-H115 WeakPolarHBondContact O-CB 3.41Å; C109-H115 PolarHBondContact O-CD2 2.93Å; S112-H115 PolarHBondContact O-N 3.17Å; H115-T117 PolarHBondContact O-N 2.77Å; H115-T117 VanDerWaalsContact O-N 3.17Å; H115-H118 AromaticContact ND1-ND1 3.51Å; H115-H118 PolarHBondContact O-N 2.96Å; H115-H118 VanDerWaalsContact O-N 3.14Å; H115-M120 HydrophobicContact CB-CE 3.62Å
116	Q	81.4	Confident	87.7	Confident	130 Å²	130	72.5 Å²	72.5	61%	0.607	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.3	-171.2	-167.7	175.2	31.5	0	0	113.6	S112	S112-Q116 PolarHBondContact O-N 2.8Å; S112-Q116 VanDerWaalsContact O-N 3.16Å
117	T	86.4	Confident	87.7	Confident	127 Å²	127	78.2 Å²	78.2	78%	0.779	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-1	-179.6	56.9	0	0	0	0	113.7	H115	H115-T117 PolarHBondContact O-N 2.77Å; H115-T117 VanDerWaalsContact O-N 3.17Å
118	H	92.1	Very high	88.1	Confident	52 Å²	52	78.1 Å²	78.1	24%	0.241	40%	0.399	C	S	.	.	S	Bend	trans	-80.5	147.1	-175.7	-68.7	-176.1	0	0	0	111	C98 D100 D101 E114 H115 M120	C98-H118 WeakPolarHBondContact SG-CB 3.3Å; C98-H118 PolarHBondContact SG-ND1 2.77Å; C98-H118 VanDerWaalsContact SG-ND1 3.42Å; D100-H118 HydrophobicContact CB-CB 4.2Å; D100-H118 WeakPolarHBondContact OD2-CA 3.36Å; D100-H118 VanDerWaalsContact OD2-CB 3.27Å; D100-H118 WeakPolarHBondContact OD2-CB 3.5Å; D100-H118 IonicContact OD2-CG 3.82Å; D101-H118 IonicContact OD1-CE1 2.86Å; D101-H118 IonicContact OD1-ND1 2.93Å; D101-H118 IonicContact OD2-CE1 3.2Å; D101-H118 PolarHBondContact OD2-CE1 2.93Å; D101-H118 IonicContact OD2-ND1 2.79Å; D101-H118 PolarHBondContact OD2-ND1 3.03Å; E114-H118 PolarHBondContact O-CE1 3.12Å; H115-H118 AromaticContact ND1-ND1 3.51Å; H115-H118 PolarHBondContact O-N 2.96Å; H115-H118 VanDerWaalsContact O-N 3.14Å; H118-M120 HydrophobicContact CB-CE 3.93Å; H118-M120 PolarHBondContact O-N 2.89Å
119	A	90.9	Very high	88.4	Confident	55 Å²	55	77 Å²	77	46%	0.455	39%	0.394	S	S	.	.			trans	-71.5	128.9	174.3	0	0	0	0	0	110	E99 D100	E99-A119 HydrophobicContact CB-CB 4.06Å; E99-A119 HydrophobicContact CG-CB 4.39Å; E99-A119 PolarHBondContact N-O 3.03Å; D100-A119 PolarHBondContact OD2-N 3.42Å
120	M	91.1	Very high	88.7	Confident	48 Å²	48	79.7 Å²	79.7	24%	0.236	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.4	-176	-64.7	-71.1	169	0	0	110.3	L96 F97 C98 V105 R110 H115 H118	L96-M120 HydrophobicContact CB-SD 4.47Å; F97-M120 WeakPolarHBondContact O-CA 3.36Å; C98-M120 HydrophobicContact CB-CE 3.81Å; C98-M120 HydrophobicContact CB-SD 3.85Å; C98-M120 VanDerWaalsContact SG-CE 3.59Å; V105-M120 HydrophobicContact CG2-CE 4.27Å; V105-M120 HydrophobicContact CG2-SD 3.84Å; R110-M120 HydrophobicContact CG-CG 4.46Å; H115-M120 HydrophobicContact CB-CE 3.62Å; H118-M120 HydrophobicContact CB-CE 3.93Å; H118-M120 PolarHBondContact O-N 2.89Å
121	A	91	Very high	89.2	Confident	17 Å²	17	79.8 Å²	79.8	14%	0.14	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.8	170.5	0	0	0	0	0	110.3	L96 F97 A126	L96-A121 CarbonylContact C-O 3.57Å; L96-A121 WeakPolarHBondContact CA-O 3.41Å; F97-A121 PolarHBondContact N-O 3.11Å; F97-A121 PolarHBondContact O-N 3.47Å; A121-A126 HydrophobicContact CB-CB 4.13Å
122	P	93.3	Very high	89.7	Confident	53 Å²	53	78.9 Å²	78.9	34%	0.344	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	141.5	166.3	-23.6	35.1	0	0	0	110.7	D124 E125 A126	P122-D124 VanDerWaalsContact C-N 3.25Å; P122-D124 PolarHBondContact O-N 2.86Å; P122-E125 HydrophobicContact CB-CB 4.38Å; P122-E125 HydrophobicContact CB-CG 4.23Å; P122-E125 HydrophobicContact CG-CG 4.36Å; P122-E125 PolarHBondContact O-N 2.96Å; P122-A126 WeakPolarHBondContact O-CB 3.16Å; P122-A126 PolarHBondContact O-N 3.2Å
123	I	90.4	Very high	90.2	Very high	51 Å²	51	82.8 Å²	82.8	26%	0.262	41%	0.413	S	S	.	.	H	α-helix	trans	-60.2	-35.7	-173.2	-158.8	166	0	0	0	112.7	R95 P104 F127	R95-I123 WeakPolarHBondContact O-CB 3.24Å; R95-I123 PolarHBondContact O-N 3.3Å; P104-I123 HydrophobicContact CB-CD1 4.02Å; I123-F127 WeakPolarHBondContact O-CB 3.5Å; I123-F127 PolarHBondContact O-N 3.23Å
124	D	88.5	Confident	90.7	Very high	116 Å²	116	80.3 Å²	80.3	62%	0.62	41%	0.405	S	S	*	.	H	α-helix	trans	-70.7	-40	-179.6	-59.5	-47.8	0	0	0	111.7	P122 F127 E128	P122-D124 VanDerWaalsContact C-N 3.25Å; P122-D124 PolarHBondContact O-N 2.86Å; D124-F127 PolarHBondContact O-N 2.87Å; D124-E128 PolarHBondContact O-N 3.5Å
125	E	92.1	Very high	91.5	Very high	132 Å²	132	79.9 Å²	79.9	62%	0.617	41%	0.405	S	S	*	.	H	α-helix	trans	-68.5	-44.7	176.4	-68	178.5	-160.7	0	0	111.5	P122 F127 E128 S129	P122-E125 HydrophobicContact CB-CB 4.38Å; P122-E125 HydrophobicContact CB-CG 4.23Å; P122-E125 HydrophobicContact CG-CG 4.36Å; P122-E125 PolarHBondContact O-N 2.96Å; E125-F127 VanDerWaalsContact C-N 3.33Å; E125-F127 PolarHBondContact O-N 3.47Å; E125-E128 PolarHBondContact O-N 3.47Å; E125-S129 WeakPolarHBondContact O-CB 3.25Å; E125-S129 PolarHBondContact O-N 2.51Å
126	A	92.1	Very high	92	Very high	5 Å²	5	86.7 Å²	86.7	4%	0.041	43%	0.434	C	S	.	.	H	α-helix	trans	-61.2	-44.2	174.7	0	0	0	0	0	110.6	F97 A121 P122 S129 Y130	F97-A126 HydrophobicContact CB-CB 3.69Å; F97-A126 HydrophobicContact CD1-CB 4.08Å; F97-A126 HydrophobicContact CG-CB 4.01Å; A121-A126 HydrophobicContact CB-CB 4.13Å; P122-A126 WeakPolarHBondContact O-CB 3.16Å; P122-A126 PolarHBondContact O-N 3.2Å; A126-S129 PolarHBondContact O-N 3.43Å; A126-Y130 HydrophobicContact CB-CD2 4.5Å; A126-Y130 WeakPolarHBondContact O-CB 3.42Å; A126-Y130 VanDerWaalsContact O-CD2 3.25Å; A126-Y130 WeakPolarHBondContact O-CD2 3.31Å; A126-Y130 PolarHBondContact O-N 2.85Å
127	F	90.9	Very high	92.7	Very high	120 Å²	120	83.3 Å²	83.3	53%	0.526	43%	0.425	S	S	.	.	H	α-helix	trans	-57.3	-53.1	177.6	175.2	-97.5	0	0	0	111.7	I123 D124 E125 S129 Y130 R131	I123-F127 WeakPolarHBondContact O-CB 3.5Å; I123-F127 PolarHBondContact O-N 3.23Å; D124-F127 PolarHBondContact O-N 2.87Å; E125-F127 VanDerWaalsContact C-N 3.33Å; E125-F127 PolarHBondContact O-N 3.47Å; F127-S129 PolarHBondContact O-N 2.82Å; F127-Y130 PolarHBondContact O-N 3.41Å; F127-R131 WeakPolarHBondContact O-CB 3.47Å; F127-R131 PolarHBondContact O-N 3.05Å
128	E	93.5	Very high	93.3	Very high	100 Å²	100	82.7 Å²	82.7	47%	0.467	41%	0.413	S	S	.	.	H	α-helix	trans	-64.4	-40.3	-179.7	-74	-58.8	143.9	0	0	111.9	D124 E125 R131 E132	D124-E128 PolarHBondContact O-N 3.5Å; E125-E128 PolarHBondContact O-N 3.47Å; E128-R131 PolarHBondContact O-N 3.37Å; E128-R131 IonicContact OE1-NH1 3.91Å; E128-R131 PolarHBondContact OE1-NH1 2.98Å; E128-R131 VanDerWaalsContact OE1-NH1 3.07Å; E128-R131 IonicContact OE2-NH1 2.73Å; E128-E132 WeakPolarHBondContact O-CB 3.28Å; E128-E132 PolarHBondContact O-N 3.48Å
129	S	92.4	Very high	93.5	Very high	47 Å²	47	87.9 Å²	87.9	33%	0.329	43%	0.431	S	S	.	.	H	α-helix	trans	-60.3	-50.7	175.6	-172	0	0	0	0	112.5	E125 A126 F127 E132 K133	E125-S129 WeakPolarHBondContact O-CB 3.25Å; E125-S129 PolarHBondContact O-N 2.51Å; A126-S129 PolarHBondContact O-N 3.43Å; F127-S129 PolarHBondContact O-N 2.82Å; S129-E132 PolarHBondContact O-N 3.07Å; S129-K133 VanDerWaalsContact O-CG 3.31Å; S129-K133 WeakPolarHBondContact O-CG 3.44Å; S129-K133 PolarHBondContact O-N 3.46Å
130	Y	92	Very high	93.8	Very high	64 Å²	64	89.2 Å²	89.2	25%	0.251	43%	0.43	S	S	.	.	H	α-helix	trans	-68.6	-37.5	179.5	-83.8	-73.7	0	0	0	112	F97 E99 Q102 A126 F127 E132 K133 L134	F97-Y130 HydrophobicContact CD1-CE2 4.13Å; F97-Y130 HydrophobicContact CE1-CD2 4.35Å; F97-Y130 AromaticContact CE1-CE2 3.52Å; F97-Y130 HydrophobicContact CE1-CE2 3.52Å; F97-Y130 HydrophobicContact CZ-CE2 4.08Å; E99-Y130 WeakPolarHBondContact OE2-CE2 3.34Å; E99-Y130 PolarHBondContact OE2-OH 3.34Å; Q102-Y130 PolarHBondContact NE2-OH 2.79Å; A126-Y130 HydrophobicContact CB-CD2 4.5Å; A126-Y130 WeakPolarHBondContact O-CB 3.42Å; A126-Y130 VanDerWaalsContact O-CD2 3.25Å; A126-Y130 WeakPolarHBondContact O-CD2 3.31Å; A126-Y130 PolarHBondContact O-N 2.85Å; F127-Y130 PolarHBondContact O-N 3.41Å; Y130-E132 PolarHBondContact O-N 3.36Å; Y130-K133 HydrophobicContact CD1-CD 4.35Å; Y130-K133 PolarHBondContact O-N 3.44Å; Y130-L134 WeakPolarHBondContact O-CB 3.08Å; Y130-L134 WeakPolarHBondContact O-CG 3.34Å; Y130-L134 PolarHBondContact O-N 2.9Å
131	R	94.5	Very high	94.1	Very high	123 Å²	123	91.9 Å²	91.9	46%	0.464	45%	0.445	S	S	.	.	H	α-helix	trans	-58.5	-46.7	173.4	-178	-177.3	-179.3	-171.7	1.5	111.1	F127 E128 L134 L135	F127-R131 WeakPolarHBondContact O-CB 3.47Å; F127-R131 PolarHBondContact O-N 3.05Å; E128-R131 PolarHBondContact O-N 3.37Å; E128-R131 IonicContact OE1-NH1 3.91Å; E128-R131 PolarHBondContact OE1-NH1 2.98Å; E128-R131 VanDerWaalsContact OE1-NH1 3.07Å; E128-R131 IonicContact OE2-NH1 2.73Å; R131-L134 PolarHBondContact O-N 3.2Å; R131-L135 HydrophobicContact CG-CD1 4.12Å; R131-L135 WeakPolarHBondContact O-CB 3.21Å; R131-L135 VanDerWaalsContact O-CG 3.28Å; R131-L135 WeakPolarHBondContact O-CG 3.49Å; R131-L135 PolarHBondContact O-N 3.02Å
132	E	96	Very high	94.4	Very high	129 Å²	129	94.6 Å²	94.6	60%	0.603	46%	0.459	S	S	*	.	H	α-helix	trans	-64.2	-45.1	177.6	-167.1	-173.7	175.5	0	0	111.9	E128 S129 Y130 L134 L135 K136	E128-E132 WeakPolarHBondContact O-CB 3.28Å; E128-E132 PolarHBondContact O-N 3.48Å; S129-E132 PolarHBondContact O-N 3.07Å; Y130-E132 PolarHBondContact O-N 3.36Å; E132-L134 VanDerWaalsContact C-N 3.32Å; E132-L134 PolarHBondContact O-N 3.4Å; E132-L135 PolarHBondContact O-N 3.39Å; E132-K136 WeakPolarHBondContact O-CB 3.48Å; E132-K136 PolarHBondContact O-N 2.93Å
133	K	95.3	Very high	94.6	Very high	108 Å²	108	94.6 Å²	94.6	47%	0.47	46%	0.461	S	S	.	.	H	α-helix	trans	-57.2	-44.6	175.2	-71.9	170.7	-171.4	168.3	0	111.4	S129 Y130 K136 S137	S129-K133 VanDerWaalsContact O-CG 3.31Å; S129-K133 WeakPolarHBondContact O-CG 3.44Å; S129-K133 PolarHBondContact O-N 3.46Å; Y130-K133 HydrophobicContact CD1-CD 4.35Å; Y130-K133 PolarHBondContact O-N 3.44Å; K133-K136 PolarHBondContact O-N 2.89Å; K133-S137 WeakPolarHBondContact O-CB 3.36Å; K133-S137 PolarHBondContact O-N 3.14Å
134	L	95.3	Very high	94.9	Very high	120 Å²	120	97.6 Å²	97.6	63%	0.628	47%	0.472	S	S	*	.	H	α-helix	trans	-65.7	-45	177.8	-73	171.6	0	0	0	111.7	Y130 R131 E132 K136 S137 Q138	Y130-L134 WeakPolarHBondContact O-CB 3.08Å; Y130-L134 WeakPolarHBondContact O-CG 3.34Å; Y130-L134 PolarHBondContact O-N 2.9Å; R131-L134 PolarHBondContact O-N 3.2Å; E132-L134 VanDerWaalsContact C-N 3.32Å; E132-L134 PolarHBondContact O-N 3.4Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 2.84Å; L134-S137 WeakPolarHBondContact O-CB 3.37Å; L134-S137 PolarHBondContact O-N 3.43Å; L134-Q138 WeakPolarHBondContact O-CB 3.41Å; L134-Q138 PolarHBondContact O-N 3.02Å
135	L	96.6	Very high	95.3	Very high	78 Å²	78	97.7 Å²	97.7	41%	0.408	47%	0.47	S	S	.	.	H	α-helix	trans	-63.3	-36.9	175.7	-72.4	172.3	0	0	0	112.2	R131 E132 R139	R131-L135 HydrophobicContact CG-CD1 4.12Å; R131-L135 WeakPolarHBondContact O-CB 3.21Å; R131-L135 VanDerWaalsContact O-CG 3.28Å; R131-L135 WeakPolarHBondContact O-CG 3.49Å; R131-L135 PolarHBondContact O-N 3.02Å; E132-L135 PolarHBondContact O-N 3.39Å; L135-R139 WeakPolarHBondContact O-CG 3.45Å; L135-R139 PolarHBondContact O-N 3.29Å; L135-R139 PolarHBondContact O-NE 2.79Å
136	K	96.8	Very high	95.6	Very high	145 Å²	145	98.4 Å²	98.4	63%	0.63	47%	0.471	S	S	*	.	H	α-helix	trans	-65.7	-43.5	173.2	-177.5	177.2	-180	178.5	0	111.1	E132 K133 L134 R139 N140	E132-K136 WeakPolarHBondContact O-CB 3.48Å; E132-K136 PolarHBondContact O-N 2.93Å; K133-K136 PolarHBondContact O-N 2.89Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 2.84Å; K136-R139 PolarHBondContact O-N 2.84Å; K136-N140 PolarHBondContact O-N 2.89Å
137	S	96.3	Very high	95.8	Very high	59 Å²	59	104.7 Å²	104.7	41%	0.413	50%	0.498	S	S	.	.	H	α-helix	trans	-62.5	-45.1	175.3	-169.8	0	0	0	0	111.6	K133 L134 R139 N140 L141	K133-S137 WeakPolarHBondContact O-CB 3.36Å; K133-S137 PolarHBondContact O-N 3.14Å; L134-S137 WeakPolarHBondContact O-CB 3.37Å; L134-S137 PolarHBondContact O-N 3.43Å; S137-R139 PolarHBondContact O-N 2.85Å; S137-N140 WeakPolarHBondContact O-CB 3.42Å; S137-N140 PolarHBondContact O-N 3.43Å; S137-N140 VanDerWaalsContact O-N 3.14Å; S137-L141 WeakPolarHBondContact O-CG 3.45Å; S137-L141 PolarHBondContact O-N 3.33Å
138	Q	97.3	Very high	96.2	Very high	115 Å²	115	103.3 Å²	103.3	54%	0.537	50%	0.499	S	S	.	.	H	α-helix	trans	-57.1	-48.2	175.4	-173.5	-174	14.1	0	0	111.4	L134 N140 L141 V142	L134-Q138 WeakPolarHBondContact O-CB 3.41Å; L134-Q138 PolarHBondContact O-N 3.02Å; Q138-N140 VanDerWaalsContact C-N 3.32Å; Q138-N140 PolarHBondContact O-N 3.46Å; Q138-L141 PolarHBondContact O-N 3.03Å; Q138-V142 WeakPolarHBondContact O-CG2 3.37Å; Q138-V142 PolarHBondContact O-N 3.27Å
139	R	97.1	Very high	96.4	Very high	161 Å²	161	103.9 Å²	103.9	61%	0.608	50%	0.503	S	S	*	.	H	α-helix	trans	-59.1	-41.7	175.8	-76.6	-178.5	-76.9	157.5	-8.7	112.3	L135 K136 S137 V142 S143	L135-R139 WeakPolarHBondContact O-CG 3.45Å; L135-R139 PolarHBondContact O-N 3.29Å; L135-R139 PolarHBondContact O-NE 2.79Å; K136-R139 PolarHBondContact O-N 2.84Å; S137-R139 PolarHBondContact O-N 2.85Å; R139-V142 PolarHBondContact O-N 3.46Å; R139-S143 PolarHBondContact O-N 3.24Å
140	N	97.1	Very high	96.6	Very high	82 Å²	82	107.3 Å²	107.3	44%	0.439	51%	0.514	S	S	.	.	H	α-helix	trans	-63.9	-45.7	176	-171.8	4.5	0	0	0	111.6	K136 S137 Q138 V142 S143 K144	K136-N140 PolarHBondContact O-N 2.89Å; S137-N140 WeakPolarHBondContact O-CB 3.42Å; S137-N140 PolarHBondContact O-N 3.43Å; S137-N140 VanDerWaalsContact O-N 3.14Å; Q138-N140 VanDerWaalsContact C-N 3.32Å; Q138-N140 PolarHBondContact O-N 3.46Å; N140-V142 PolarHBondContact O-N 3.18Å; N140-S143 WeakPolarHBondContact O-CB 3.42Å; N140-S143 PolarHBondContact O-N 3.4Å; N140-K144 WeakPolarHBondContact O-CG 3.46Å; N140-K144 PolarHBondContact O-N 3.03Å; N140-K144 WeakPolarHBondContact OD1-CE 3.44Å
141	L	97.4	Very high	96.8	Very high	105 Å²	105	109.4 Å²	109.4	55%	0.55	53%	0.528	S	S	.	.	H	α-helix	trans	-61.6	-42.5	177.5	-70.8	172.7	0	0	0	112.1	S137 Q138 S143 K144 M145	S137-L141 WeakPolarHBondContact O-CG 3.45Å; S137-L141 PolarHBondContact O-N 3.33Å; Q138-L141 PolarHBondContact O-N 3.03Å; L141-S143 VanDerWaalsContact C-N 3.34Å; L141-S143 PolarHBondContact O-N 3.49Å; L141-K144 PolarHBondContact O-N 3.41Å; L141-M145 WeakPolarHBondContact O-CB 3.44Å; L141-M145 PolarHBondContact O-N 2.92Å
142	V	97.4	Very high	96.9	Very high	73 Å²	73	109.7 Å²	109.7	44%	0.442	54%	0.535	S	S	.	.	H	α-helix	trans	-62.1	-41.1	174.6	171.3	0	0	0	0	111.3	Q138 R139 N140 M145 K146	Q138-V142 WeakPolarHBondContact O-CG2 3.37Å; Q138-V142 PolarHBondContact O-N 3.27Å; R139-V142 PolarHBondContact O-N 3.46Å; N140-V142 PolarHBondContact O-N 3.18Å; V142-M145 PolarHBondContact O-N 2.89Å; V142-K146 WeakPolarHBondContact O-CG 3.38Å; V142-K146 PolarHBondContact O-N 3.32Å
143	S	96.7	Very high	97	Very high	54 Å²	54	106.8 Å²	106.8	38%	0.378	52%	0.524	S	S	.	.	H	α-helix	trans	-63.2	-44.2	174.9	-177.3	0	0	0	0	112	R139 N140 L141 K146 K147	R139-S143 PolarHBondContact O-N 3.24Å; N140-S143 WeakPolarHBondContact O-CB 3.42Å; N140-S143 PolarHBondContact O-N 3.4Å; L141-S143 VanDerWaalsContact C-N 3.34Å; L141-S143 PolarHBondContact O-N 3.49Å; S143-K146 PolarHBondContact O-N 3.01Å; S143-K147 WeakPolarHBondContact O-CG 3.44Å; S143-K147 PolarHBondContact O-N 3.16Å; S143-K147 VanDerWaalsContact O-N 3.15Å
144	K	97.5	Very high	97.1	Very high	113 Å²	113	103.9 Å²	103.9	49%	0.491	52%	0.515	S	S	.	.	H	α-helix	trans	-61.5	-43.6	175.3	-72.3	179.5	178.9	-176.8	0	111.7	N140 L141 K146 K147 V148	N140-K144 WeakPolarHBondContact O-CG 3.46Å; N140-K144 PolarHBondContact O-N 3.03Å; N140-K144 WeakPolarHBondContact OD1-CE 3.44Å; L141-K144 PolarHBondContact O-N 3.41Å; K144-K146 PolarHBondContact O-N 3.44Å; K144-K147 WeakPolarHBondContact O-CB 3.34Å; K144-K147 PolarHBondContact O-N 3.15Å; K144-K147 VanDerWaalsContact O-N 3.16Å; K144-V148 WeakPolarHBondContact O-CG2 3.42Å; K144-V148 PolarHBondContact O-N 3.35Å
145	M	97.4	Very high	97.1	Very high	118 Å²	118	104 Å²	104	58%	0.581	51%	0.512	S	S	*	.	H	α-helix	trans	-57.7	-47.3	176.3	-176.4	66	88	0	0	111.3	L141 V142 K147 V148 M149	L141-M145 WeakPolarHBondContact O-CB 3.44Å; L141-M145 PolarHBondContact O-N 2.92Å; V142-M145 PolarHBondContact O-N 2.89Å; M145-K147 VanDerWaalsContact C-N 3.29Å; M145-K147 PolarHBondContact O-N 3.15Å; M145-V148 PolarHBondContact O-N 3.06Å; M145-V148 VanDerWaalsContact O-N 3.15Å; M145-M149 HydrophobicContact CG-CG 4.47Å; M145-M149 HydrophobicContact CG-SD 4.25Å; M145-M149 WeakPolarHBondContact O-CG 3.48Å; M145-M149 PolarHBondContact O-N 3.4Å
146	K	97.6	Very high	97.1	Very high	147 Å²	147	104.3 Å²	104.3	64%	0.639	52%	0.517	S	S	*	.	H	α-helix	trans	-58.2	-39.9	176.6	-72.1	177.9	179.5	-175.6	0	112.5	V142 S143 K144 H150	V142-K146 WeakPolarHBondContact O-CG 3.38Å; V142-K146 PolarHBondContact O-N 3.32Å; S143-K146 PolarHBondContact O-N 3.01Å; K144-K146 PolarHBondContact O-N 3.44Å; K146-H150 PolarHBondContact O-N 3.34Å
147	K	97.7	Very high	97.1	Very high	138 Å²	138	102.5 Å²	102.5	60%	0.6	51%	0.509	S	S	*	.	H	α-helix	trans	-63.7	-44.8	175.6	-68.2	176.8	-178.3	-176.5	0	111.7	S143 K144 M145 H150 L151	S143-K147 WeakPolarHBondContact O-CG 3.44Å; S143-K147 PolarHBondContact O-N 3.16Å; S143-K147 VanDerWaalsContact O-N 3.15Å; K144-K147 WeakPolarHBondContact O-CB 3.34Å; K144-K147 PolarHBondContact O-N 3.15Å; K144-K147 VanDerWaalsContact O-N 3.16Å; M145-K147 VanDerWaalsContact C-N 3.29Å; M145-K147 PolarHBondContact O-N 3.15Å; K147-H150 PolarHBondContact O-N 3.43Å; K147-L151 WeakPolarHBondContact O-CG 3.46Å; K147-L151 PolarHBondContact O-N 3.21Å
148	V	97.4	Very high	97.1	Very high	90 Å²	90	103 Å²	103	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-64.8	-42.3	178.5	175.4	0	0	0	0	111.3	K144 M145 H150 L151 Q152	K144-V148 WeakPolarHBondContact O-CG2 3.42Å; K144-V148 PolarHBondContact O-N 3.35Å; M145-V148 PolarHBondContact O-N 3.06Å; M145-V148 VanDerWaalsContact O-N 3.15Å; V148-H150 VanDerWaalsContact C-N 3.3Å; V148-H150 PolarHBondContact O-N 2.88Å; V148-L151 PolarHBondContact O-N 3.03Å; V148-Q152 PolarHBondContact O-N 3.4Å
149	M	97.6	Very high	97.1	Very high	113 Å²	113	100.3 Å²	100.3	56%	0.557	51%	0.505	S	S	*	.	H	α-helix	trans	-60.6	-39.3	174.8	-70.2	179	71.6	0	0	112.3	M145 Q152 D153	M145-M149 HydrophobicContact CG-CG 4.47Å; M145-M149 HydrophobicContact CG-SD 4.25Å; M145-M149 WeakPolarHBondContact O-CG 3.48Å; M145-M149 PolarHBondContact O-N 3.4Å; M149-Q152 WeakPolarHBondContact O-CB 3.34Å; M149-Q152 PolarHBondContact O-N 3.28Å; M149-D153 PolarHBondContact O-N 2.94Å
150	H	96.9	Very high	97.1	Very high	119 Å²	119	96.2 Å²	96.2	55%	0.551	50%	0.498	S	S	*	.	H	α-helix	trans	-64.5	-43.8	175.1	-179.3	58.8	0	0	0	111.9	K146 K147 V148 Q152 D153 V154	K146-H150 PolarHBondContact O-N 3.34Å; K147-H150 PolarHBondContact O-N 3.43Å; V148-H150 VanDerWaalsContact C-N 3.3Å; V148-H150 PolarHBondContact O-N 2.88Å; H150-Q152 VanDerWaalsContact C-N 3.29Å; H150-Q152 PolarHBondContact O-N 3.05Å; H150-D153 PolarHBondContact O-N 2.87Å; H150-V154 WeakPolarHBondContact O-CG2 3.43Å; H150-V154 PolarHBondContact O-N 3.29Å
151	L	96.7	Very high	97.1	Very high	107 Å²	107	97.3 Å²	97.3	56%	0.56	50%	0.5	S	S	*	.	H	α-helix	trans	-61.3	-39.5	174.7	-68.4	172.3	0	0	0	111.6	K147 V148 V154 E155	K147-L151 WeakPolarHBondContact O-CG 3.46Å; K147-L151 PolarHBondContact O-N 3.21Å; V148-L151 PolarHBondContact O-N 3.03Å; L151-V154 PolarHBondContact O-N 2.96Å; L151-E155 WeakPolarHBondContact O-CG 3.44Å; L151-E155 PolarHBondContact O-N 3.25Å
152	Q	97.4	Very high	97	Very high	130 Å²	130	100.3 Å²	100.3	61%	0.607	50%	0.504	S	S	*	.	H	α-helix	trans	-61.3	-44.6	175	-174.3	-179.1	32.1	0	0	111.9	V148 M149 H150 V154 E155 V156	V148-Q152 PolarHBondContact O-N 3.4Å; M149-Q152 WeakPolarHBondContact O-CB 3.34Å; M149-Q152 PolarHBondContact O-N 3.28Å; H150-Q152 VanDerWaalsContact C-N 3.29Å; H150-Q152 PolarHBondContact O-N 3.05Å; Q152-V154 VanDerWaalsContact C-N 3.34Å; Q152-E155 PolarHBondContact O-N 3.32Å; Q152-V156 WeakPolarHBondContact O-CG2 3.43Å; Q152-V156 PolarHBondContact O-N 3Å
153	D	97.1	Very high	97	Very high	68 Å²	68	104 Å²	104	36%	0.364	51%	0.514	S	S	.	.	H	α-helix	trans	-62.3	-41	175.6	177.9	65.5	0	0	0	111.9	M149 H150 V156 K157	M149-D153 PolarHBondContact O-N 2.94Å; H150-D153 PolarHBondContact O-N 2.87Å; D153-V156 PolarHBondContact O-N 2.81Å; D153-K157 WeakPolarHBondContact O-CB 3.32Å; D153-K157 VanDerWaalsContact O-CG 3.31Å; D153-K157 WeakPolarHBondContact O-CG 3.48Å; D153-K157 PolarHBondContact O-N 3.47Å; D153-K157 IonicContact OD1-NZ 3.5Å; D153-K157 VanDerWaalsContact OD2-CE 3.24Å; D153-K157 WeakPolarHBondContact OD2-CE 3.48Å; D153-K157 IonicContact OD2-NZ 3.91Å; D153-K157 PolarHBondContact OD2-NZ 3.03Å
154	V	97	Very high	97.1	Very high	47 Å²	47	106 Å²	106	29%	0.285	52%	0.521	S	S	.	.	H	α-helix	trans	-62.7	-44.7	174.7	172.3	0	0	0	0	111.2	H150 L151 Q152 K157 N158	H150-V154 WeakPolarHBondContact O-CG2 3.43Å; H150-V154 PolarHBondContact O-N 3.29Å; L151-V154 PolarHBondContact O-N 2.96Å; Q152-V154 VanDerWaalsContact C-N 3.34Å; V154-K157 PolarHBondContact O-N 2.65Å; V154-N158 WeakPolarHBondContact O-CB 3.31Å; V154-N158 PolarHBondContact O-N 3.5Å; V154-N158 PolarHBondContact O-ND2 3.35Å
155	E	96.3	Very high	97.1	Very high	122 Å²	122	107.1 Å²	107.1	57%	0.57	53%	0.526	S	S	*	.	H	α-helix	trans	-64.1	-41.6	177.5	-77.1	-56.6	139.2	0	0	112.4	L151 Q152 K157 N158 A159	L151-E155 WeakPolarHBondContact O-CG 3.44Å; L151-E155 PolarHBondContact O-N 3.25Å; Q152-E155 PolarHBondContact O-N 3.32Å; E155-K157 VanDerWaalsContact C-N 3.33Å; E155-K157 PolarHBondContact O-N 3.27Å; E155-N158 PolarHBondContact O-N 3.46Å; E155-A159 WeakPolarHBondContact O-CB 3.45Å; E155-A159 PolarHBondContact O-N 2.87Å
156	V	97.1	Very high	97.1	Very high	85 Å²	85	104 Å²	104	52%	0.515	51%	0.511	S	S	.	.	H	α-helix	trans	-61.4	-43.2	174.6	170.7	0	0	0	0	110.7	Q152 D153 A159 T160	Q152-V156 WeakPolarHBondContact O-CG2 3.43Å; Q152-V156 PolarHBondContact O-N 3Å; D153-V156 PolarHBondContact O-N 2.81Å; V156-A159 PolarHBondContact O-N 3.23Å; V156-T160 WeakPolarHBondContact O-CG2 3.41Å; V156-T160 PolarHBondContact O-N 3.45Å; V156-T160 VanDerWaalsContact O-N 3.08Å; V156-T160 PolarHBondContact O-OG1 2.99Å
157	K	96.8	Very high	97.1	Very high	106 Å²	106	104.1 Å²	104.1	46%	0.461	51%	0.512	S	S	.	.	H	α-helix	trans	-64.4	-39.2	174.4	-74.3	169.3	177.9	167.7	0	112.6	D153 V154 E155 A159 T160 Q161	D153-K157 WeakPolarHBondContact O-CB 3.32Å; D153-K157 VanDerWaalsContact O-CG 3.31Å; D153-K157 WeakPolarHBondContact O-CG 3.48Å; D153-K157 PolarHBondContact O-N 3.47Å; D153-K157 IonicContact OD1-NZ 3.5Å; D153-K157 VanDerWaalsContact OD2-CE 3.24Å; D153-K157 WeakPolarHBondContact OD2-CE 3.48Å; D153-K157 IonicContact OD2-NZ 3.91Å; D153-K157 PolarHBondContact OD2-NZ 3.03Å; V154-K157 PolarHBondContact O-N 2.65Å; E155-K157 VanDerWaalsContact C-N 3.33Å; E155-K157 PolarHBondContact O-N 3.27Å; K157-A159 VanDerWaalsContact C-N 3.34Å; K157-T160 PolarHBondContact O-N 2.97Å; K157-T160 PolarHBondContact O-OG1 3.08Å; K157-Q161 WeakPolarHBondContact O-CB 3.46Å; K157-Q161 VanDerWaalsContact O-CG 3.29Å; K157-Q161 WeakPolarHBondContact O-CG 3.22Å; K157-Q161 PolarHBondContact O-N 2.67Å
158	N	96.5	Very high	97.1	Very high	71 Å²	71	101.2 Å²	101.2	38%	0.38	51%	0.509	S	S	.	.	H	α-helix	trans	-63.8	-42.1	175.7	-73.3	-16.5	0	0	0	110.9	V154 E155 Q161 W162	V154-N158 WeakPolarHBondContact O-CB 3.31Å; V154-N158 PolarHBondContact O-N 3.5Å; V154-N158 PolarHBondContact O-ND2 3.35Å; E155-N158 PolarHBondContact O-N 3.46Å; N158-Q161 PolarHBondContact O-N 3.31Å; N158-W162 WeakPolarHBondContact O-CB 3.39Å; N158-W162 PolarHBondContact O-N 3.1Å
159	A	96.8	Very high	97.1	Very high	58 Å²	58	101.7 Å²	101.7	48%	0.479	51%	0.505	S	S	.	.	H	α-helix	trans	-63.8	-41.8	178.2	0	0	0	0	0	112.4	E155 V156 K157 W162 K163	E155-A159 WeakPolarHBondContact O-CB 3.45Å; E155-A159 PolarHBondContact O-N 2.87Å; V156-A159 PolarHBondContact O-N 3.23Å; K157-A159 VanDerWaalsContact C-N 3.34Å; A159-W162 PolarHBondContact O-N 3.44Å; A159-K163 WeakPolarHBondContact O-CB 3.24Å; A159-K163 PolarHBondContact O-N 3.44Å
160	T	96.3	Very high	97.1	Very high	74 Å²	74	104.9 Å²	104.9	45%	0.454	51%	0.511	S	S	.	.	H	α-helix	trans	-66.2	-45.9	176	55.9	0	0	0	0	111.4	V156 K157 W162 K163 D164	V156-T160 WeakPolarHBondContact O-CG2 3.41Å; V156-T160 PolarHBondContact O-N 3.45Å; V156-T160 VanDerWaalsContact O-N 3.08Å; V156-T160 PolarHBondContact O-OG1 2.99Å; K157-T160 PolarHBondContact O-N 2.97Å; K157-T160 PolarHBondContact O-OG1 3.08Å; T160-W162 VanDerWaalsContact C-N 3.33Å; T160-W162 PolarHBondContact O-N 3.09Å; T160-K163 WeakPolarHBondContact O-CB 3.48Å; T160-K163 PolarHBondContact O-N 2.96Å; T160-D164 PolarHBondContact O-N 2.84Å
161	Q	97	Very high	97.1	Very high	105 Å²	105	105 Å²	105	49%	0.491	51%	0.513	S	S	.	.	H	α-helix	trans	-60.1	-41	175.4	-72.7	179.4	12.3	0	0	112.7	K157 N158 D164 K165	K157-Q161 WeakPolarHBondContact O-CB 3.46Å; K157-Q161 VanDerWaalsContact O-CG 3.29Å; K157-Q161 WeakPolarHBondContact O-CG 3.22Å; K157-Q161 PolarHBondContact O-N 2.67Å; N158-Q161 PolarHBondContact O-N 3.31Å; Q161-D164 PolarHBondContact O-N 3.12Å; Q161-K165 WeakPolarHBondContact O-CG 3.48Å; Q161-K165 PolarHBondContact O-N 3.44Å
162	W	96.4	Very high	97.1	Very high	168 Å²	168	107.5 Å²	107.5	64%	0.636	52%	0.515	S	S	*	.	H	α-helix	trans	-63.8	-42.9	176.2	178.1	82.5	0	0	0	111.5	N158 A159 T160 D164 K165 I166	N158-W162 WeakPolarHBondContact O-CB 3.39Å; N158-W162 PolarHBondContact O-N 3.1Å; A159-W162 PolarHBondContact O-N 3.44Å; T160-W162 VanDerWaalsContact C-N 3.33Å; T160-W162 PolarHBondContact O-N 3.09Å; W162-D164 VanDerWaalsContact C-N 3.31Å; W162-D164 PolarHBondContact O-N 2.88Å; W162-K165 WeakPolarHBondContact O-CB 3.45Å; W162-K165 PolarHBondContact O-N 3.15Å; W162-I166 HydrophobicContact CD2-CG1 4.11Å; W162-I166 HydrophobicContact CH2-CG1 4.25Å; W162-I166 HydrophobicContact CZ2-CD1 4.11Å; W162-I166 HydrophobicContact CZ2-CG1 3.8Å; W162-I166 WeakPolarHBondContact O-CG1 3.49Å; W162-I166 PolarHBondContact O-N 3.32Å
163	K	97.6	Very high	97.1	Very high	150 Å²	150	106.1 Å²	106.1	65%	0.652	51%	0.51	S	S	*	.	H	α-helix	trans	-59.4	-42.8	175.7	-171.9	178.1	-179.2	179.5	0	111.6	A159 T160 I166 K167	A159-K163 WeakPolarHBondContact O-CB 3.24Å; A159-K163 PolarHBondContact O-N 3.44Å; T160-K163 WeakPolarHBondContact O-CB 3.48Å; T160-K163 PolarHBondContact O-N 2.96Å; K163-I166 PolarHBondContact O-N 2.72Å; K163-K167 WeakPolarHBondContact O-CB 3.33Å; K163-K167 PolarHBondContact O-N 3.1Å
164	D	97.6	Very high	97.1	Very high	97 Å²	97	106 Å²	106	52%	0.519	52%	0.515	S	S	.	.	H	α-helix	trans	-66.2	-41.2	176.3	-69.2	-23.5	0	0	0	111.8	T160 Q161 W162 I166 K167 S168	T160-D164 PolarHBondContact O-N 2.84Å; Q161-D164 PolarHBondContact O-N 3.12Å; W162-D164 VanDerWaalsContact C-N 3.31Å; W162-D164 PolarHBondContact O-N 2.88Å; D164-I166 PolarHBondContact O-N 2.83Å; D164-K167 PolarHBondContact O-N 2.76Å; D164-S168 WeakPolarHBondContact O-CB 3.29Å; D164-S168 PolarHBondContact O-N 2.93Å; D164-S168 PolarHBondContact O-OG 3.31Å; D164-S168 VanDerWaalsContact O-OG 3.12Å
165	K	97.4	Very high	97.1	Very high	136 Å²	136	106 Å²	106	59%	0.591	52%	0.516	S	S	*	.	H	α-helix	trans	-58.8	-46.9	173.9	-75.8	174.6	-178.4	176.1	0	111.7	Q161 W162 K167 S168 Q169	Q161-K165 WeakPolarHBondContact O-CG 3.48Å; Q161-K165 PolarHBondContact O-N 3.44Å; W162-K165 WeakPolarHBondContact O-CB 3.45Å; W162-K165 PolarHBondContact O-N 3.15Å; K165-K167 VanDerWaalsContact C-N 3.35Å; K165-K167 PolarHBondContact O-N 3.39Å; K165-S168 PolarHBondContact O-N 3.23Å; K165-Q169 WeakPolarHBondContact O-CG 3.42Å; K165-Q169 PolarHBondContact O-N 3.09Å
166	I	97.7	Very high	97.1	Very high	53 Å²	53	104.6 Å²	104.6	27%	0.272	51%	0.509	S	S	.	.	H	α-helix	trans	-63	-41.7	177.4	-67.8	-65	0	0	0	111.2	W162 K163 D164 S168 Q169 R170	W162-I166 HydrophobicContact CD2-CG1 4.11Å; W162-I166 HydrophobicContact CH2-CG1 4.25Å; W162-I166 HydrophobicContact CZ2-CD1 4.11Å; W162-I166 HydrophobicContact CZ2-CG1 3.8Å; W162-I166 WeakPolarHBondContact O-CG1 3.49Å; W162-I166 PolarHBondContact O-N 3.32Å; K163-I166 PolarHBondContact O-N 2.72Å; D164-I166 PolarHBondContact O-N 2.83Å; I166-S168 PolarHBondContact O-N 2.88Å; I166-Q169 PolarHBondContact O-N 2.91Å; I166-R170 WeakPolarHBondContact O-CG 3.33Å; I166-R170 PolarHBondContact O-N 3.21Å
167	K	97.9	Very high	97	Very high	150 Å²	150	106.1 Å²	106.1	65%	0.652	51%	0.509	S	S	*	.	H	α-helix	trans	-60.8	-45.1	176.3	-171.3	-179.3	178.6	-175.5	0	111.3	K163 D164 K165 R170 M171	K163-K167 WeakPolarHBondContact O-CB 3.33Å; K163-K167 PolarHBondContact O-N 3.1Å; D164-K167 PolarHBondContact O-N 2.76Å; K165-K167 VanDerWaalsContact C-N 3.35Å; K165-K167 PolarHBondContact O-N 3.39Å; K167-R170 PolarHBondContact O-N 3.42Å; K167-M171 PolarHBondContact O-N 2.76Å
168	S	97.1	Very high	96.9	Very high	77 Å²	77	103.7 Å²	103.7	54%	0.538	51%	0.505	S	S	.	.	H	α-helix	trans	-63.3	-40.4	176.1	-64.7	0	0	0	0	112.5	D164 K165 I166 M171 R172	D164-S168 WeakPolarHBondContact O-CB 3.29Å; D164-S168 PolarHBondContact O-N 2.93Å; D164-S168 PolarHBondContact O-OG 3.31Å; D164-S168 VanDerWaalsContact O-OG 3.12Å; K165-S168 PolarHBondContact O-N 3.23Å; I166-S168 PolarHBondContact O-N 2.88Å; S168-M171 PolarHBondContact O-N 2.93Å; S168-R172 WeakPolarHBondContact O-CB 3.26Å; S168-R172 PolarHBondContact O-N 3.42Å
169	Q	97.3	Very high	96.8	Very high	99 Å²	99	106.2 Å²	106.2	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-65.2	-42.7	174.9	-69.7	-58.4	-35.4	0	0	112.2	K165 I166 M171 R172 I173	K165-Q169 WeakPolarHBondContact O-CG 3.42Å; K165-Q169 PolarHBondContact O-N 3.09Å; I166-Q169 PolarHBondContact O-N 2.91Å; Q169-M171 VanDerWaalsContact C-N 3.33Å; Q169-M171 PolarHBondContact O-N 3.45Å; Q169-R172 PolarHBondContact O-N 3.38Å; Q169-I173 WeakPolarHBondContact O-CG1 3.17Å; Q169-I173 PolarHBondContact O-N 3.18Å
170	R	97.6	Very high	96.6	Very high	181 Å²	181	106.8 Å²	106.8	68%	0.683	51%	0.507	S	S	*	.	H	α-helix	trans	-58.4	-45.5	174.2	-75.9	177.7	176.2	145.7	-0.1	111.7	I166 K167 I173 S174	I166-R170 WeakPolarHBondContact O-CG 3.33Å; I166-R170 PolarHBondContact O-N 3.21Å; K167-R170 PolarHBondContact O-N 3.42Å; R170-I173 PolarHBondContact O-N 3.03Å; R170-S174 WeakPolarHBondContact O-CB 3.02Å; R170-S174 PolarHBondContact O-N 3.18Å
171	M	97.4	Very high	96.4	Very high	122 Å²	122	108.5 Å²	108.5	60%	0.601	51%	0.51	S	S	*	.	H	α-helix	trans	-61.2	-46	176.7	-172.9	62.9	-178.8	0	0	111	K167 S168 Q169 I173 S174 T175	K167-M171 PolarHBondContact O-N 2.76Å; S168-M171 PolarHBondContact O-N 2.93Å; Q169-M171 VanDerWaalsContact C-N 3.33Å; Q169-M171 PolarHBondContact O-N 3.45Å; M171-I173 PolarHBondContact O-N 2.89Å; M171-S174 PolarHBondContact O-N 3.4Å; M171-T175 HydrophobicContact CE-CG2 3.78Å; M171-T175 HydrophobicContact CG-CG2 4.33Å; M171-T175 WeakPolarHBondContact O-CG2 3.45Å; M171-T175 PolarHBondContact O-N 3.39Å; M171-T175 PolarHBondContact O-OG1 2.86Å; M171-T175 VanDerWaalsContact O-OG1 3.1Å; M171-T175 HydrophobicContact SD-CG2 4.33Å
172	R	97.5	Very high	96.3	Very high	158 Å²	158	108.4 Å²	108.4	60%	0.596	51%	0.513	S	S	*	.	H	α-helix	trans	-57.8	-50.4	178.2	-173.5	179.7	179.9	-175.4	0.8	112	S168 Q169 S174 T175 E176	S168-R172 WeakPolarHBondContact O-CB 3.26Å; S168-R172 PolarHBondContact O-N 3.42Å; Q169-R172 PolarHBondContact O-N 3.38Å; R172-S174 VanDerWaalsContact C-N 3.34Å; R172-S174 PolarHBondContact O-N 3.34Å; R172-T175 WeakPolarHBondContact CA-OG1 3.18Å; R172-T175 PolarHBondContact O-N 3.38Å; R172-T175 PolarHBondContact O-OG1 2.66Å; R172-E176 WeakPolarHBondContact O-CG 3.47Å; R172-E176 PolarHBondContact O-N 3.01Å
173	I	96.8	Very high	96.1	Very high	101 Å²	101	104.2 Å²	104.2	52%	0.518	50%	0.499	S	S	.	.	H	α-helix	trans	-56.8	-50.8	177.2	-66.9	167.9	0	0	0	109.6	Q169 R170 M171 T175 E176 F177	Q169-I173 WeakPolarHBondContact O-CG1 3.17Å; Q169-I173 PolarHBondContact O-N 3.18Å; R170-I173 PolarHBondContact O-N 3.03Å; M171-I173 PolarHBondContact O-N 2.89Å; I173-T175 VanDerWaalsContact C-N 3.33Å; I173-T175 PolarHBondContact O-N 2.98Å; I173-E176 PolarHBondContact O-N 2.98Å; I173-F177 HydrophobicContact CG2-CD2 3.92Å; I173-F177 HydrophobicContact CG2-CE2 4.02Å; I173-F177 WeakPolarHBondContact O-CD2 3.2Å; I173-F177 PolarHBondContact O-N 3.2Å; I173-F177 VanDerWaalsContact O-N 3.1Å
174	S	97.1	Very high	95.8	Very high	67 Å²	67	100.1 Å²	100.1	47%	0.469	48%	0.484	S	S	.	.	H	α-helix	trans	-56.9	-45.3	179	-169.3	0	0	0	0	112.2	R170 M171 R172 F177 S178	R170-S174 WeakPolarHBondContact O-CB 3.02Å; R170-S174 PolarHBondContact O-N 3.18Å; M171-S174 PolarHBondContact O-N 3.4Å; R172-S174 VanDerWaalsContact C-N 3.34Å; R172-S174 PolarHBondContact O-N 3.34Å; S174-F177 PolarHBondContact O-N 3.44Å; S174-S178 PolarHBondContact O-N 3.38Å; S174-S178 PolarHBondContact O-OG 2.95Å; S174-S178 VanDerWaalsContact O-OG 3.06Å
175	T	96.4	Very high	95.5	Very high	47 Å²	47	99.9 Å²	99.9	29%	0.288	49%	0.486	S	S	.	.	H	α-helix	trans	-66.4	-37.6	-178.9	51.2	0	0	0	0	113	M171 R172 I173 S178 K179	M171-T175 HydrophobicContact CE-CG2 3.78Å; M171-T175 HydrophobicContact CG-CG2 4.33Å; M171-T175 WeakPolarHBondContact O-CG2 3.45Å; M171-T175 PolarHBondContact O-N 3.39Å; M171-T175 PolarHBondContact O-OG1 2.86Å; M171-T175 VanDerWaalsContact O-OG1 3.1Å; M171-T175 HydrophobicContact SD-CG2 4.33Å; R172-T175 WeakPolarHBondContact CA-OG1 3.18Å; R172-T175 PolarHBondContact O-N 3.38Å; R172-T175 PolarHBondContact O-OG1 2.66Å; I173-T175 VanDerWaalsContact C-N 3.33Å; I173-T175 PolarHBondContact O-N 2.98Å; T175-S178 PolarHBondContact O-N 2.85Å; T175-K179 WeakPolarHBondContact O-CG 3.44Å; T175-K179 PolarHBondContact O-N 3.39Å; T175-K179 VanDerWaalsContact O-N 3.1Å
176	E	96.9	Very high	95.3	Very high	92 Å²	92	99.3 Å²	99.3	43%	0.43	49%	0.485	S	S	.	.	H	α-helix	trans	-67.7	-39.7	177	-65.7	-52.5	130.3	0	0	111.3	R172 I173 K179 L180	R172-E176 WeakPolarHBondContact O-CG 3.47Å; R172-E176 PolarHBondContact O-N 3.01Å; I173-E176 PolarHBondContact O-N 2.98Å; E176-K179 PolarHBondContact O-N 2.94Å; E176-K179 IonicContact OE1-NZ 3.86Å; E176-K179 PolarHBondContact OE1-NZ 2.84Å; E176-K179 IonicContact OE2-NZ 3.35Å; E176-K179 PolarHBondContact OE2-NZ 2.8Å; E176-L180 PolarHBondContact O-N 3.07Å
177	F	94.3	Very high	94.9	Very high	117 Å²	117	99 Å²	99	51%	0.513	48%	0.483	S	S	.	.	H	α-helix	trans	-66.6	-39.1	173.4	-86.7	-89.5	0	0	0	112.5	I173 S174 K179 L180 H181	I173-F177 HydrophobicContact CG2-CD2 3.92Å; I173-F177 HydrophobicContact CG2-CE2 4.02Å; I173-F177 WeakPolarHBondContact O-CD2 3.2Å; I173-F177 PolarHBondContact O-N 3.2Å; I173-F177 VanDerWaalsContact O-N 3.1Å; S174-F177 PolarHBondContact O-N 3.44Å; F177-K179 VanDerWaalsContact C-N 3.31Å; F177-K179 PolarHBondContact O-N 2.81Å; F177-L180 PolarHBondContact O-N 2.95Å; F177-L180 VanDerWaalsContact O-N 3.16Å; F177-H181 PolarHBondContact O-CD2 3.34Å; F177-H181 PolarHBondContact O-N 3.27Å
178	S	96.1	Very high	94.6	Very high	55 Å²	55	97.6 Å²	97.6	39%	0.385	48%	0.479	S	S	.	.	H	α-helix	trans	-60.1	-39.4	174.8	-63.5	0	0	0	0	112.5	S174 T175 L180 H181 N182	S174-S178 PolarHBondContact O-N 3.38Å; S174-S178 PolarHBondContact O-OG 2.95Å; S174-S178 VanDerWaalsContact O-OG 3.06Å; T175-S178 PolarHBondContact O-N 2.85Å; S178-L180 VanDerWaalsContact C-N 3.35Å; S178-L180 PolarHBondContact O-N 2.98Å; S178-H181 PolarHBondContact O-N 2.92Å; S178-N182 PolarHBondContact O-N 3.32Å
179	K	93.9	Very high	94.4	Very high	123 Å²	123	97.9 Å²	97.9	54%	0.535	47%	0.474	S	S	.	.	H	α-helix	trans	-60.1	-45	173.7	-69	169.6	-173.9	171	0	111.5	T175 E176 F177 N182 F183	T175-K179 WeakPolarHBondContact O-CG 3.44Å; T175-K179 PolarHBondContact O-N 3.39Å; T175-K179 VanDerWaalsContact O-N 3.1Å; E176-K179 PolarHBondContact O-N 2.94Å; E176-K179 IonicContact OE1-NZ 3.86Å; E176-K179 PolarHBondContact OE1-NZ 2.84Å; E176-K179 IonicContact OE2-NZ 3.35Å; E176-K179 PolarHBondContact OE2-NZ 2.8Å; F177-K179 VanDerWaalsContact C-N 3.31Å; F177-K179 PolarHBondContact O-N 2.81Å; K179-N182 PolarHBondContact O-N 2.93Å; K179-F183 WeakPolarHBondContact O-CB 3.47Å; K179-F183 PolarHBondContact O-N 2.9Å
180	L	92.4	Very high	94.1	Very high	70 Å²	70	97 Å²	97	37%	0.366	47%	0.472	S	S	.	.	H	α-helix	trans	-64.9	-40.9	177.8	-178.3	62.3	0	0	0	112	E176 F177 S178 F183 L184	E176-L180 PolarHBondContact O-N 3.07Å; F177-L180 PolarHBondContact O-N 2.95Å; F177-L180 VanDerWaalsContact O-N 3.16Å; S178-L180 VanDerWaalsContact C-N 3.35Å; S178-L180 PolarHBondContact O-N 2.98Å; L180-F183 HydrophobicContact CD1-CD1 4.28Å; L180-F183 PolarHBondContact O-N 3.42Å; L180-L184 HydrophobicContact CD1-CD1 4.47Å; L180-L184 HydrophobicContact CD1-CG 4.33Å; L180-L184 HydrophobicContact CG-CD1 4.19Å; L180-L184 HydrophobicContact CG-CG 4.47Å; L180-L184 VanDerWaalsContact O-CG 3.3Å; L180-L184 WeakPolarHBondContact O-CG 3.36Å; L180-L184 PolarHBondContact O-N 3.47Å
181	H	91.8	Very high	93.7	Very high	111 Å²	111	89.8 Å²	89.8	51%	0.514	45%	0.446	S	S	.	.	H	α-helix	trans	-60.7	-46.6	175.9	-72.7	-53.4	0	0	0	111.9	F177 S178 F183 L184 V185	F177-H181 PolarHBondContact O-CD2 3.34Å; F177-H181 PolarHBondContact O-N 3.27Å; S178-H181 PolarHBondContact O-N 2.92Å; H181-F183 VanDerWaalsContact C-N 3.35Å; H181-F183 PolarHBondContact O-N 2.92Å; H181-L184 PolarHBondContact O-N 3.38Å; H181-V185 WeakPolarHBondContact O-CG2 3.23Å; H181-V185 PolarHBondContact O-N 3.13Å
182	N	94.6	Very high	93.4	Very high	103 Å²	103	88 Å²	88	55%	0.551	44%	0.438	S	S	*	.	H	α-helix	trans	-61.8	-44.8	177.3	-69.9	-7.5	0	0	0	111.2	S178 K179 L184 V185 E186	S178-N182 PolarHBondContact O-N 3.32Å; K179-N182 PolarHBondContact O-N 2.93Å; N182-L184 VanDerWaalsContact C-N 3.33Å; N182-L184 PolarHBondContact O-N 3.4Å; N182-V185 PolarHBondContact O-N 3.24Å; N182-E186 WeakPolarHBondContact O-CG 3.49Å; N182-E186 PolarHBondContact O-N 3.49Å
183	F	92.7	Very high	93.2	Very high	80 Å²	80	85.4 Å²	85.4	35%	0.351	43%	0.433	S	S	.	.	H	α-helix	trans	-57.2	-44.6	175.4	172.3	-98.4	0	0	0	112.4	K179 L180 H181 V185 E186 E187 P270	K179-F183 WeakPolarHBondContact O-CB 3.47Å; K179-F183 PolarHBondContact O-N 2.9Å; L180-F183 HydrophobicContact CD1-CD1 4.28Å; L180-F183 PolarHBondContact O-N 3.42Å; H181-F183 VanDerWaalsContact C-N 3.35Å; H181-F183 PolarHBondContact O-N 2.92Å; F183-V185 VanDerWaalsContact C-N 3.34Å; F183-V185 PolarHBondContact O-N 2.91Å; F183-E186 PolarHBondContact O-N 3.17Å; F183-E187 HydrophobicContact CD1-CG 4.3Å; F183-E187 HydrophobicContact CD2-CG 4.33Å; F183-E187 HydrophobicContact CE1-CG 3.77Å; F183-E187 HydrophobicContact CE2-CG 3.79Å; F183-E187 HydrophobicContact CZ-CG 3.48Å; F183-E187 VanDerWaalsContact CZ-CG 3.48Å; F183-E187 WeakPolarHBondContact O-CB 3.5Å; F183-E187 WeakPolarHBondContact O-CG 3.46Å; F183-E187 PolarHBondContact O-N 2.87Å; F183-P270 HydrophobicContact CE1-CB 4.32Å; F183-P270 HydrophobicContact CE1-CG 4.09Å; F183-P270 HydrophobicContact CZ-CG 4.12Å
184	L	90.8	Very high	92.9	Very high	64 Å²	64	86.9 Å²	86.9	34%	0.335	43%	0.432	S	S	.	.	H	α-helix	trans	-65.2	-37.4	179.1	-71.6	172.3	0	0	0	112.4	L180 H181 N182 E188 I269	L180-L184 HydrophobicContact CD1-CD1 4.47Å; L180-L184 HydrophobicContact CD1-CG 4.33Å; L180-L184 HydrophobicContact CG-CD1 4.19Å; L180-L184 HydrophobicContact CG-CG 4.47Å; L180-L184 VanDerWaalsContact O-CG 3.3Å; L180-L184 WeakPolarHBondContact O-CG 3.36Å; L180-L184 PolarHBondContact O-N 3.47Å; H181-L184 PolarHBondContact O-N 3.38Å; N182-L184 VanDerWaalsContact C-N 3.33Å; N182-L184 PolarHBondContact O-N 3.4Å; L184-E188 WeakPolarHBondContact O-CB 3.38Å; L184-E188 PolarHBondContact O-N 3.21Å; L184-I269 HydrophobicContact CD2-CG2 4.25Å
185	V	92.6	Very high	92.6	Very high	92 Å²	92	87 Å²	87	56%	0.558	43%	0.427	S	S	*	.	H	α-helix	trans	-66.6	-42.3	175.4	171.9	0	0	0	0	111	H181 N182 F183 E188 D189	H181-V185 WeakPolarHBondContact O-CG2 3.23Å; H181-V185 PolarHBondContact O-N 3.13Å; N182-V185 PolarHBondContact O-N 3.24Å; F183-V185 VanDerWaalsContact C-N 3.34Å; F183-V185 PolarHBondContact O-N 2.91Å; V185-E188 PolarHBondContact O-N 2.91Å; V185-D189 PolarHBondContact O-N 3.26Å
186	E	92.3	Very high	92.5	Very high	123 Å²	123	89.1 Å²	89.1	58%	0.575	44%	0.437	S	S	*	.	H	α-helix	trans	-63.1	-45	175.6	-72.2	171.3	-167.4	0	0	111.5	N182 F183 D189 L190	N182-E186 WeakPolarHBondContact O-CG 3.49Å; N182-E186 PolarHBondContact O-N 3.49Å; F183-E186 PolarHBondContact O-N 3.17Å; E186-D189 PolarHBondContact O-N 3.12Å; E186-L190 VanDerWaalsContact O-CG 3.3Å; E186-L190 WeakPolarHBondContact O-CG 3.45Å; E186-L190 PolarHBondContact O-N 3.46Å
187	E	90.4	Very high	92.2	Very high	46 Å²	46	91.4 Å²	91.4	22%	0.215	45%	0.445	C	S	.	.	H	α-helix	trans	-62.6	-42.8	176.1	-76.9	-68.7	118.8	0	0	112.1	F183 D189 L190 F191	F183-E187 HydrophobicContact CD1-CG 4.3Å; F183-E187 HydrophobicContact CD2-CG 4.33Å; F183-E187 HydrophobicContact CE1-CG 3.77Å; F183-E187 HydrophobicContact CE2-CG 3.79Å; F183-E187 HydrophobicContact CZ-CG 3.48Å; F183-E187 VanDerWaalsContact CZ-CG 3.48Å; F183-E187 WeakPolarHBondContact O-CB 3.5Å; F183-E187 WeakPolarHBondContact O-CG 3.46Å; F183-E187 PolarHBondContact O-N 2.87Å; E187-D189 PolarHBondContact O-N 2.95Å; E187-L190 PolarHBondContact O-N 3.05Å; E187-F191 WeakPolarHBondContact O-CD2 3.42Å; E187-F191 PolarHBondContact O-N 3.34Å
188	E	90.7	Very high	92.1	Very high	122 Å²	122	86.8 Å²	86.8	57%	0.57	43%	0.425	S	S	*	.	H	α-helix	trans	-57.3	-48.9	175.5	-179.1	176.7	-164.3	0	0	111.4	L184 V185 L190 F191 L192	L184-E188 WeakPolarHBondContact O-CB 3.38Å; L184-E188 PolarHBondContact O-N 3.21Å; V185-E188 PolarHBondContact O-N 2.91Å; E188-L190 VanDerWaalsContact C-N 3.34Å; E188-L190 PolarHBondContact O-N 3.5Å; E188-F191 PolarHBondContact O-N 2.9Å; E188-L192 HydrophobicContact CG-CD1 4.22Å; E188-L192 WeakPolarHBondContact O-CG 3.36Å; E188-L192 PolarHBondContact O-N 2.98Å
189	D	92.4	Very high	91.8	Very high	82 Å²	82	88.6 Å²	88.6	44%	0.439	43%	0.427	S	S	.	.	H	α-helix	trans	-60.4	-43.1	177.3	-175.4	60.5	0	0	0	111.6	V185 E186 E187 F191 L192 Q193	V185-D189 PolarHBondContact O-N 3.26Å; E186-D189 PolarHBondContact O-N 3.12Å; E187-D189 PolarHBondContact O-N 2.95Å; D189-F191 VanDerWaalsContact C-N 3.34Å; D189-F191 PolarHBondContact O-N 2.99Å; D189-L192 PolarHBondContact O-N 3.3Å; D189-Q193 WeakPolarHBondContact O-CB 3.48Å; D189-Q193 VanDerWaalsContact O-CG 3.28Å; D189-Q193 WeakPolarHBondContact O-CG 3.44Å; D189-Q193 PolarHBondContact O-N 3.18Å; D189-Q193 PolarHBondContact OD2-NE2 3.24Å
190	L	91.4	Very high	91.8	Very high	80 Å²	80	87.1 Å²	87.1	42%	0.419	42%	0.422	S	S	.	.	H	α-helix	trans	-62.6	-37.2	176.2	-71.5	173.1	0	0	0	113	E186 E187 E188 R194	E186-L190 VanDerWaalsContact O-CG 3.3Å; E186-L190 WeakPolarHBondContact O-CG 3.45Å; E186-L190 PolarHBondContact O-N 3.46Å; E187-L190 PolarHBondContact O-N 3.05Å; E188-L190 VanDerWaalsContact C-N 3.34Å; E188-L190 PolarHBondContact O-N 3.5Å; L190-R194 WeakPolarHBondContact O-CG 3.29Å; L190-R194 PolarHBondContact O-N 3.26Å; L190-R194 PolarHBondContact O-NE 3.27Å
191	F	88.9	Confident	91.7	Very high	31 Å²	31	89.1 Å²	89.1	14%	0.136	43%	0.43	C	S	.	.	H	α-helix	trans	-65.6	-45.9	173	-80.3	-67.4	0	0	0	111.7	E187 E188 D189 R194 L195 V266 Q268	E187-F191 WeakPolarHBondContact O-CD2 3.42Å; E187-F191 PolarHBondContact O-N 3.34Å; E188-F191 PolarHBondContact O-N 2.9Å; D189-F191 VanDerWaalsContact C-N 3.34Å; D189-F191 PolarHBondContact O-N 2.99Å; F191-R194 PolarHBondContact O-N 2.65Å; F191-L195 PolarHBondContact O-N 3.34Å; F191-V266 VanDerWaalsContact CE1-O 3.31Å; F191-V266 WeakPolarHBondContact CE1-O 3.46Å; F191-Q268 VanDerWaalsContact CZ-O 3.25Å; F191-Q268 WeakPolarHBondContact CZ-O 3.37Å
192	L	91.5	Very high	91.5	Very high	84 Å²	84	85.4 Å²	85.4	44%	0.44	42%	0.416	S	S	.	.	H	α-helix	trans	-64.5	-41	179.4	-69.5	175.1	0	0	0	112.1	E188 D189 R194 L195 N196	E188-L192 HydrophobicContact CG-CD1 4.22Å; E188-L192 WeakPolarHBondContact O-CG 3.36Å; E188-L192 PolarHBondContact O-N 2.98Å; D189-L192 PolarHBondContact O-N 3.3Å; L192-R194 PolarHBondContact O-N 2.9Å; L192-L195 PolarHBondContact O-N 3.35Å; L192-N196 WeakPolarHBondContact O-CB 3.14Å; L192-N196 PolarHBondContact O-N 3.11Å; L192-N196 PolarHBondContact O-ND2 2.92Å
193	Q	93	Very high	91.3	Very high	104 Å²	104	84.8 Å²	84.8	49%	0.486	41%	0.409	S	S	.	.	H	α-helix	trans	-61.5	-42.8	175.5	-73.6	-178	11.6	0	0	112.2	D189 N196 K197	D189-Q193 WeakPolarHBondContact O-CB 3.48Å; D189-Q193 VanDerWaalsContact O-CG 3.28Å; D189-Q193 WeakPolarHBondContact O-CG 3.44Å; D189-Q193 PolarHBondContact O-N 3.18Å; D189-Q193 PolarHBondContact OD2-NE2 3.24Å; Q193-N196 PolarHBondContact O-N 3.42Å; Q193-K197 PolarHBondContact O-N 3.34Å
194	R	91.3	Very high	91.1	Very high	132 Å²	132	86.5 Å²	86.5	50%	0.498	42%	0.416	S	S	.	.	H	α-helix	trans	-61.8	-45	174.9	-77.9	-175.2	-70.8	-165.1	-3.3	111.7	L190 F191 L192 K197 E198 T265	L190-R194 WeakPolarHBondContact O-CG 3.29Å; L190-R194 PolarHBondContact O-N 3.26Å; L190-R194 PolarHBondContact O-NE 3.27Å; F191-R194 PolarHBondContact O-N 2.65Å; L192-R194 PolarHBondContact O-N 2.9Å; R194-K197 PolarHBondContact O-N 2.84Å; R194-E198 PolarHBondContact O-N 3.37Å; R194-T265 HydrophobicContact CB-CG2 4.32Å
195	L	91.3	Very high	91	Very high	69 Å²	69	87.5 Å²	87.5	36%	0.361	42%	0.418	S	S	.	.	H	α-helix	trans	-63.4	-44	178.6	-175.1	64.6	0	0	0	111.9	F191 L192 K197 E198 E199 V263 T265	F191-L195 PolarHBondContact O-N 3.34Å; L192-L195 PolarHBondContact O-N 3.35Å; L195-K197 VanDerWaalsContact C-N 3.33Å; L195-K197 PolarHBondContact O-N 3.09Å; L195-E198 PolarHBondContact O-N 3.03Å; L195-E199 WeakPolarHBondContact O-CB 3.42Å; L195-E199 PolarHBondContact O-N 2.87Å; L195-V263 HydrophobicContact CD1-CG1 3.9Å; L195-T265 HydrophobicContact CB-CG2 4.33Å
196	N	92.5	Very high	90.7	Very high	92 Å²	92	87.7 Å²	87.7	49%	0.492	42%	0.415	S	S	.	.	H	α-helix	trans	-62.2	-40.3	177.7	-72.2	-20.4	0	0	0	111.9	L192 Q193 E199 E200	L192-N196 WeakPolarHBondContact O-CB 3.14Å; L192-N196 PolarHBondContact O-N 3.11Å; L192-N196 PolarHBondContact O-ND2 2.92Å; Q193-N196 PolarHBondContact O-N 3.42Å; N196-E199 PolarHBondContact O-N 2.82Å; N196-E200 PolarHBondContact O-N 3.33Å
197	K	92.4	Very high	90.6	Very high	139 Å²	139	87 Å²	87	60%	0.604	42%	0.415	S	S	*	.	H	α-helix	trans	-63.8	-44.7	175.2	-176.6	177.7	175.9	-178	0	111.5	Q193 R194 L195 E199 E200 E201	Q193-K197 PolarHBondContact O-N 3.34Å; R194-K197 PolarHBondContact O-N 2.84Å; L195-K197 VanDerWaalsContact C-N 3.33Å; L195-K197 PolarHBondContact O-N 3.09Å; K197-E199 VanDerWaalsContact C-N 3.33Å; K197-E200 PolarHBondContact O-N 3.06Å; K197-E201 WeakPolarHBondContact CE-OE1 3.32Å; K197-E201 WeakPolarHBondContact O-CG 3.32Å; K197-E201 PolarHBondContact O-N 2.81Å
198	E	91.3	Very high	90.5	Very high	21 Å²	21	90.3 Å²	90.3	10%	0.098	43%	0.431	C	S	.	.	H	α-helix	trans	-62.7	-39.8	176.2	177.7	170.6	-159.5	0	0	112.2	R194 L195 E201 S202 V263 K264 T265	R194-E198 PolarHBondContact O-N 3.37Å; L195-E198 PolarHBondContact O-N 3.03Å; E198-E201 PolarHBondContact O-N 3.31Å; E198-S202 WeakPolarHBondContact O-CB 3.36Å; E198-S202 PolarHBondContact O-N 2.78Å; E198-S202 PolarHBondContact O-OG 3.45Å; E198-V263 WeakPolarHBondContact OE1-CA 3.29Å; E198-K264 VanDerWaalsContact OE1-CB 3.29Å; E198-K264 WeakPolarHBondContact OE1-CB 3.22Å; E198-K264 WeakPolarHBondContact OE1-CG 3.11Å; E198-K264 PolarHBondContact OE1-N 3.29Å; E198-K264 PolarHBondContact OE2-N 3.12Å; E198-T265 VanDerWaalsContact OE2-CB 3.3Å; E198-T265 WeakPolarHBondContact OE2-CB 3.41Å; E198-T265 PolarHBondContact OE2-N 3.44Å; E198-T265 PolarHBondContact OE2-OG1 3.32Å
199	E	90.4	Very high	90.3	Very high	93 Å²	93	85.5 Å²	85.5	44%	0.435	41%	0.409	S	S	.	.	H	α-helix	trans	-61.2	-45.6	176	-168.7	-165.5	-172.3	0	0	111	L195 N196 K197 S202 K203	L195-E199 WeakPolarHBondContact O-CB 3.42Å; L195-E199 PolarHBondContact O-N 2.87Å; N196-E199 PolarHBondContact O-N 2.82Å; K197-E199 VanDerWaalsContact C-N 3.33Å; E199-S202 WeakPolarHBondContact O-CB 3.34Å; E199-S202 PolarHBondContact O-N 2.86Å; E199-K203 HydrophobicContact CG-CD 4.25Å; E199-K203 WeakPolarHBondContact O-CB 3.26Å; E199-K203 VanDerWaalsContact O-CG 3.31Å; E199-K203 WeakPolarHBondContact O-CG 3.18Å; E199-K203 PolarHBondContact O-N 2.8Å; E199-K203 WeakPolarHBondContact OE1-CE 3.43Å; E199-K203 IonicContact OE1-NZ 3.15Å; E199-K203 PolarHBondContact OE1-NZ 3.43Å; E199-K203 IonicContact OE2-NZ 2.88Å; E199-K203 PolarHBondContact OE2-NZ 2.96Å
200	E	92.5	Very high	90.1	Very high	92 Å²	92	84.6 Å²	84.6	43%	0.43	41%	0.407	S	S	.	.	H	α-helix	trans	-65.6	-43.6	179.2	-176	58.2	-155.5	0	0	112.2	N196 K197 S202 K203 K204	N196-E200 PolarHBondContact O-N 3.33Å; K197-E200 PolarHBondContact O-N 3.06Å; E200-S202 VanDerWaalsContact C-N 3.31Å; E200-S202 PolarHBondContact O-N 3.14Å; E200-K203 PolarHBondContact O-N 3.17Å; E200-K204 WeakPolarHBondContact O-CG 3.4Å; E200-K204 PolarHBondContact O-N 3.1Å; E200-K204 WeakPolarHBondContact OE1-CE 3.48Å; E200-K204 IonicContact OE1-NZ 3.66Å
201	E	90.6	Very high	90.1	Very high	112 Å²	112	85.7 Å²	85.7	52%	0.523	41%	0.412	S	S	.	.	H	α-helix	trans	-60.9	-41.7	174.6	-72.2	173.8	-173.8	0	0	111.5	K197 E198 K204 K205	K197-E201 WeakPolarHBondContact CE-OE1 3.32Å; K197-E201 WeakPolarHBondContact O-CG 3.32Å; K197-E201 PolarHBondContact O-N 2.81Å; E198-E201 PolarHBondContact O-N 3.31Å; E201-K204 PolarHBondContact O-N 3.01Å; E201-K205 PolarHBondContact O-N 3.01Å; E201-K205 VanDerWaalsContact O-N 3.07Å
202	S	87.8	Confident	90	Very high	32 Å²	32	89.3 Å²	89.3	22%	0.224	43%	0.428	C	S	.	.	H	α-helix	trans	-65.3	-44.4	177.1	-68.3	0	0	0	0	112.6	E198 E199 E200 K205 L206 V261	E198-S202 WeakPolarHBondContact O-CB 3.36Å; E198-S202 PolarHBondContact O-N 2.78Å; E198-S202 PolarHBondContact O-OG 3.45Å; E199-S202 WeakPolarHBondContact O-CB 3.34Å; E199-S202 PolarHBondContact O-N 2.86Å; E200-S202 VanDerWaalsContact C-N 3.31Å; E200-S202 PolarHBondContact O-N 3.14Å; S202-K205 PolarHBondContact O-N 2.78Å; S202-L206 WeakPolarHBondContact O-CB 3.43Å; S202-L206 PolarHBondContact O-N 2.93Å; S202-V261 WeakPolarHBondContact OG-CG1 3.35Å
203	K	89.7	Confident	89.8	Confident	91 Å²	91	88.1 Å²	88.1	40%	0.396	42%	0.422	S	S	.	.	H	α-helix	trans	-60.6	-45.4	175.5	-78.2	172.2	-178.9	163.9	0	111.4	E199 E200 K205 L206 N207	E199-K203 HydrophobicContact CG-CD 4.25Å; E199-K203 WeakPolarHBondContact O-CB 3.26Å; E199-K203 VanDerWaalsContact O-CG 3.31Å; E199-K203 WeakPolarHBondContact O-CG 3.18Å; E199-K203 PolarHBondContact O-N 2.8Å; E199-K203 WeakPolarHBondContact OE1-CE 3.43Å; E199-K203 IonicContact OE1-NZ 3.15Å; E199-K203 PolarHBondContact OE1-NZ 3.43Å; E199-K203 IonicContact OE2-NZ 2.88Å; E199-K203 PolarHBondContact OE2-NZ 2.96Å; E200-K203 PolarHBondContact O-N 3.17Å; K203-K205 PolarHBondContact O-N 3.41Å; K203-L206 PolarHBondContact O-N 2.81Å; K203-N207 WeakPolarHBondContact O-CB 3.44Å; K203-N207 VanDerWaalsContact O-CG 3.31Å; K203-N207 PolarHBondContact O-N 3.31Å; K203-N207 PolarHBondContact O-ND2 3.05Å
204	K	89.4	Confident	89.6	Confident	116 Å²	116	87.5 Å²	87.5	50%	0.504	42%	0.422	S	S	.	.	H	α-helix	trans	-57.8	-49.7	175.9	-74.7	174.8	-175.6	171.4	0	111.5	E200 E201 L206 N207 E208	E200-K204 WeakPolarHBondContact O-CG 3.4Å; E200-K204 PolarHBondContact O-N 3.1Å; E200-K204 WeakPolarHBondContact OE1-CE 3.48Å; E200-K204 IonicContact OE1-NZ 3.66Å; E201-K204 PolarHBondContact O-N 3.01Å; K204-L206 VanDerWaalsContact C-N 3.33Å; K204-L206 PolarHBondContact O-N 2.96Å; K204-N207 PolarHBondContact O-N 3.08Å; K204-E208 WeakPolarHBondContact O-CG 3.31Å; K204-E208 PolarHBondContact O-N 3.19Å
205	K	88.1	Confident	89.5	Confident	85 Å²	85	86.7 Å²	86.7	37%	0.37	42%	0.423	S	S	.	.	H	α-helix	trans	-60.8	-41.4	178.4	-171.5	173.3	-178.5	177.3	0	112.4	E201 S202 K203 E208 N209 E259	E201-K205 PolarHBondContact O-N 3.01Å; E201-K205 VanDerWaalsContact O-N 3.07Å; S202-K205 PolarHBondContact O-N 2.78Å; K203-K205 PolarHBondContact O-N 3.41Å; K205-E208 PolarHBondContact O-N 2.91Å; K205-N209 WeakPolarHBondContact O-CB 3.42Å; K205-N209 VanDerWaalsContact O-CG 3.22Å; K205-N209 PolarHBondContact O-N 2.9Å; K205-E259 VanDerWaalsContact CE-OE2 3.23Å; K205-E259 WeakPolarHBondContact CE-OE2 2.97Å; K205-E259 IonicContact NZ-OE2 2.79Å; K205-E259 PolarHBondContact NZ-OE2 3.38Å
206	L	87.6	Confident	89.3	Confident	96 Å²	96	86.4 Å²	86.4	50%	0.503	42%	0.421	S	S	.	.	H	α-helix	trans	-65.8	-39.4	177.4	-170.4	66.2	0	0	0	112	S202 K203 K204 N209 T210	S202-L206 WeakPolarHBondContact O-CB 3.43Å; S202-L206 PolarHBondContact O-N 2.93Å; K203-L206 PolarHBondContact O-N 2.81Å; K204-L206 VanDerWaalsContact C-N 3.33Å; K204-L206 PolarHBondContact O-N 2.96Å; L206-N209 PolarHBondContact O-N 3.25Å; L206-T210 WeakPolarHBondContact O-CB 3.48Å; L206-T210 PolarHBondContact O-N 3.45Å; L206-T210 PolarHBondContact O-OG1 3.27Å
207	N	88.8	Confident	89.1	Confident	109 Å²	109	85.8 Å²	85.8	58%	0.583	42%	0.417	S	S	*	.	H	α-helix	trans	-64.7	-44.6	175.6	-74.5	-20.1	0	0	0	111.8	K203 K204 N209 T210 L211	K203-N207 WeakPolarHBondContact O-CB 3.44Å; K203-N207 VanDerWaalsContact O-CG 3.31Å; K203-N207 PolarHBondContact O-N 3.31Å; K203-N207 PolarHBondContact O-ND2 3.05Å; K204-N207 PolarHBondContact O-N 3.08Å; N207-N209 VanDerWaalsContact C-N 3.34Å; N207-N209 PolarHBondContact O-N 3.24Å; N207-T210 PolarHBondContact O-N 3.1Å; N207-L211 WeakPolarHBondContact O-CB 3.38Å; N207-L211 PolarHBondContact O-N 2.77Å
208	E	88.7	Confident	89	Confident	115 Å²	115	82 Å²	82	54%	0.537	41%	0.411	S	S	.	.	H	α-helix	trans	-60.9	-42.9	174.8	-72.4	175.4	-172.4	0	0	112	K204 K205 L211 K212	K204-E208 WeakPolarHBondContact O-CG 3.31Å; K204-E208 PolarHBondContact O-N 3.19Å; K205-E208 PolarHBondContact O-N 2.91Å; E208-L211 PolarHBondContact O-N 3.45Å; E208-K212 WeakPolarHBondContact O-CG 3.39Å; E208-K212 PolarHBondContact O-N 3.47Å
209	N	87.2	Confident	88.9	Confident	20 Å²	20	83.9 Å²	83.9	11%	0.107	43%	0.427	C	S	.	.	H	α-helix	trans	-61.5	-44.4	175.3	-78.4	-9.1	0	0	0	111.8	K205 L206 N207 L211 K212 L213 Y256	K205-N209 WeakPolarHBondContact O-CB 3.42Å; K205-N209 VanDerWaalsContact O-CG 3.22Å; K205-N209 PolarHBondContact O-N 2.9Å; L206-N209 PolarHBondContact O-N 3.25Å; N207-N209 VanDerWaalsContact C-N 3.34Å; N207-N209 PolarHBondContact O-N 3.24Å; N209-L211 VanDerWaalsContact C-N 3.34Å; N209-L211 PolarHBondContact O-N 3Å; N209-K212 PolarHBondContact O-N 3.47Å; N209-L213 WeakPolarHBondContact O-CG 3.33Å; N209-L213 PolarHBondContact O-N 2.85Å; N209-Y256 WeakPolarHBondContact CB-OH 2.93Å
210	T	88.4	Confident	88.7	Confident	64 Å²	64	81.9 Å²	81.9	39%	0.393	42%	0.419	S	S	.	.	H	α-helix	trans	-63	-41.3	177	-57.3	0	0	0	0	111.2	L206 N207 L213 N214	L206-T210 WeakPolarHBondContact O-CB 3.48Å; L206-T210 PolarHBondContact O-N 3.45Å; L206-T210 PolarHBondContact O-OG1 3.27Å; N207-T210 PolarHBondContact O-N 3.1Å; T210-L213 PolarHBondContact O-N 3.39Å; T210-N214 WeakPolarHBondContact O-CB 3.47Å; T210-N214 VanDerWaalsContact O-CG 3.31Å; T210-N214 PolarHBondContact O-N 2.92Å; T210-N214 PolarHBondContact O-ND2 2.97Å
211	L	90.3	Very high	88.5	Confident	103 Å²	103	83.9 Å²	83.9	54%	0.539	43%	0.426	S	S	.	.	H	α-helix	trans	-62.8	-44.7	176.7	-174.3	67.5	0	0	0	111.7	N207 E208 N209 N214 Q215	N207-L211 WeakPolarHBondContact O-CB 3.38Å; N207-L211 PolarHBondContact O-N 2.77Å; E208-L211 PolarHBondContact O-N 3.45Å; N209-L211 VanDerWaalsContact C-N 3.34Å; N209-L211 PolarHBondContact O-N 3Å; L211-N214 PolarHBondContact O-N 3.45Å; L211-Q215 WeakPolarHBondContact O-CG 3.27Å; L211-Q215 PolarHBondContact O-N 3.34Å
212	K	87.4	Confident	88.4	Confident	106 Å²	106	85 Å²	85	46%	0.461	43%	0.429	S	S	.	.	H	α-helix	trans	-60.1	-45.6	175.6	-72.8	171.9	-177.4	171.8	0	111.7	E208 N209 N214 Q215 M216	E208-K212 WeakPolarHBondContact O-CG 3.39Å; E208-K212 PolarHBondContact O-N 3.47Å; N209-K212 PolarHBondContact O-N 3.47Å; K212-N214 PolarHBondContact O-N 2.93Å; K212-Q215 PolarHBondContact O-N 3.1Å; K212-M216 WeakPolarHBondContact O-CG 3.49Å; K212-M216 PolarHBondContact O-N 2.73Å
213	L	87.6	Confident	88.4	Confident	60 Å²	60	84.3 Å²	84.3	31%	0.314	42%	0.423	S	S	.	.	H	α-helix	trans	-62	-42.6	176.3	-72.1	172.6	0	0	0	111.7	N209 T210 Q215 M216 I217 Y256	N209-L213 WeakPolarHBondContact O-CG 3.33Å; N209-L213 PolarHBondContact O-N 2.85Å; T210-L213 PolarHBondContact O-N 3.39Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; L213-Q215 PolarHBondContact O-N 2.84Å; L213-M216 HydrophobicContact CD2-SD 4.46Å; L213-M216 PolarHBondContact O-N 2.88Å; L213-I217 VanDerWaalsContact O-CG1 3.26Å; L213-I217 WeakPolarHBondContact O-CG1 3.44Å; L213-I217 PolarHBondContact O-N 3.11Å; L213-Y256 HydrophobicContact CD1-CE1 4.16Å; L213-Y256 HydrophobicContact CD2-CD1 3.89Å; L213-Y256 HydrophobicContact CD2-CD2 3.93Å; L213-Y256 HydrophobicContact CD2-CE1 4.04Å; L213-Y256 HydrophobicContact CD2-CE2 4.09Å; L213-Y256 HydrophobicContact CD2-CG 3.83Å; L213-Y256 HydrophobicContact CG-CD2 4.46Å; L213-Y256 HydrophobicContact CG-CE1 4.4Å; L213-Y256 HydrophobicContact CG-CE2 4.16Å
214	N	89.3	Confident	88.3	Confident	91 Å²	91	85.8 Å²	85.8	49%	0.487	43%	0.434	S	S	.	.	H	α-helix	trans	-63.1	-38.2	176.5	-76.3	-27.6	0	0	0	112.5	T210 L211 K212 I217 A218	T210-N214 WeakPolarHBondContact O-CB 3.47Å; T210-N214 VanDerWaalsContact O-CG 3.31Å; T210-N214 PolarHBondContact O-N 2.92Å; T210-N214 PolarHBondContact O-ND2 2.97Å; L211-N214 PolarHBondContact O-N 3.45Å; K212-N214 PolarHBondContact O-N 2.93Å; N214-I217 PolarHBondContact O-N 2.94Å; N214-A218 WeakPolarHBondContact O-CB 3.38Å; N214-A218 PolarHBondContact O-N 3.23Å
215	Q	88.3	Confident	88.3	Confident	114 Å²	114	85.5 Å²	85.5	53%	0.533	44%	0.437	S	S	.	.	H	α-helix	trans	-64.1	-45.6	173.5	-72.5	172.9	-8	0	0	111.4	L211 K212 L213 I217 A218 S219	L211-Q215 WeakPolarHBondContact O-CG 3.27Å; L211-Q215 PolarHBondContact O-N 3.34Å; K212-Q215 PolarHBondContact O-N 3.1Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; L213-Q215 PolarHBondContact O-N 2.84Å; Q215-I217 VanDerWaalsContact C-N 3.34Å; Q215-I217 PolarHBondContact O-N 3.06Å; Q215-A218 PolarHBondContact O-N 3.25Å; Q215-S219 PolarHBondContact O-N 2.86Å; Q215-S219 PolarHBondContact O-OG 2.87Å
216	M	87.1	Confident	88.2	Confident	64 Å²	64	83.7 Å²	83.7	32%	0.315	43%	0.43	S	S	.	.	H	α-helix	trans	-58.6	-45.5	174.8	-69.5	174.2	176.8	0	0	111.5	K212 L213 A218 S219 L220	K212-M216 WeakPolarHBondContact O-CG 3.49Å; K212-M216 PolarHBondContact O-N 2.73Å; L213-M216 HydrophobicContact CD2-SD 4.46Å; L213-M216 PolarHBondContact O-N 2.88Å; M216-A218 VanDerWaalsContact C-N 3.35Å; M216-A218 PolarHBondContact O-N 3.3Å; M216-S219 PolarHBondContact O-N 3.02Å; M216-L220 WeakPolarHBondContact O-CG 3.48Å; M216-L220 PolarHBondContact O-N 2.8Å
217	I	88.3	Confident	88.2	Confident	79 Å²	79	81.8 Å²	81.8	41%	0.405	42%	0.423	S	S	.	.	H	α-helix	trans	-60.3	-43.7	175.9	-69.3	165	0	0	0	111	L213 N214 Q215 L220 K221	L213-I217 VanDerWaalsContact O-CG1 3.26Å; L213-I217 WeakPolarHBondContact O-CG1 3.44Å; L213-I217 PolarHBondContact O-N 3.11Å; N214-I217 PolarHBondContact O-N 2.94Å; Q215-I217 VanDerWaalsContact C-N 3.34Å; Q215-I217 PolarHBondContact O-N 3.06Å; I217-L220 PolarHBondContact O-N 2.84Å; I217-K221 HydrophobicContact CG2-CD 4.13Å; I217-K221 HydrophobicContact CG2-CG 4.43Å; I217-K221 WeakPolarHBondContact O-CB 3.48Å; I217-K221 WeakPolarHBondContact O-CG 3.23Å; I217-K221 PolarHBondContact O-N 3.32Å
218	A	90.2	Very high	88.1	Confident	58 Å²	58	78 Å²	78	48%	0.479	41%	0.409	S	S	.	.	H	α-helix	trans	-64.7	-43.4	179	0	0	0	0	0	112	N214 Q215 M216 K221 K222	N214-A218 WeakPolarHBondContact O-CB 3.38Å; N214-A218 PolarHBondContact O-N 3.23Å; Q215-A218 PolarHBondContact O-N 3.25Å; M216-A218 VanDerWaalsContact C-N 3.35Å; M216-A218 PolarHBondContact O-N 3.3Å; A218-K221 PolarHBondContact O-N 2.98Å; A218-K222 PolarHBondContact O-N 3.48Å
219	S	88.3	Confident	88	Confident	62 Å²	62	79.1 Å²	79.1	43%	0.434	42%	0.415	S	S	.	.	H	α-helix	trans	-61	-43.9	174.6	-64.3	0	0	0	0	112	Q215 M216 K222 L223	Q215-S219 PolarHBondContact O-N 2.86Å; Q215-S219 PolarHBondContact O-OG 2.87Å; M216-S219 PolarHBondContact O-N 3.02Å; S219-K222 PolarHBondContact O-N 2.89Å; S219-L223 PolarHBondContact O-N 3.33Å
220	L	87	Confident	87.8	Confident	50 Å²	50	82 Å²	82	26%	0.262	43%	0.426	S	S	.	.	H	α-helix	trans	-64.1	-44.6	175.8	-74.1	176	0	0	0	112.1	M216 I217 K222 L223 I224 Q252 M254	M216-L220 WeakPolarHBondContact O-CG 3.48Å; M216-L220 PolarHBondContact O-N 2.8Å; I217-L220 PolarHBondContact O-N 2.84Å; L220-K222 VanDerWaalsContact C-N 3.28Å; L220-K222 PolarHBondContact O-N 3.41Å; L220-L223 PolarHBondContact O-N 2.94Å; L220-I224 WeakPolarHBondContact O-CB 3.24Å; L220-I224 VanDerWaalsContact O-CG1 3.24Å; L220-I224 WeakPolarHBondContact O-CG1 3.19Å; L220-I224 PolarHBondContact O-N 2.82Å; L220-Q252 HydrophobicContact CD2-CG 4.09Å; L220-M254 HydrophobicContact CD1-CE 3.47Å; L220-M254 VanDerWaalsContact CD1-CE 3.47Å; L220-M254 HydrophobicContact CD1-SD 3.84Å; L220-M254 HydrophobicContact CD2-SD 4.48Å; L220-M254 HydrophobicContact CG-SD 4.43Å
221	K	89.1	Confident	87.6	Confident	135 Å²	135	82.6 Å²	82.6	59%	0.587	43%	0.433	S	S	*	.	H	α-helix	trans	-57.4	-42.9	175.3	-77.9	177.9	177.4	-179	0	111.5	I217 A218 I224 L225	I217-K221 HydrophobicContact CG2-CD 4.13Å; I217-K221 HydrophobicContact CG2-CG 4.43Å; I217-K221 WeakPolarHBondContact O-CB 3.48Å; I217-K221 WeakPolarHBondContact O-CG 3.23Å; I217-K221 PolarHBondContact O-N 3.32Å; A218-K221 PolarHBondContact O-N 2.98Å; K221-I224 PolarHBondContact O-N 3.3Å; K221-L225 WeakPolarHBondContact O-CG 3.28Å; K221-L225 PolarHBondContact O-N 3.13Å; K221-L225 VanDerWaalsContact O-N 3.08Å
222	K	88.8	Confident	87.5	Confident	134 Å²	134	85.9 Å²	85.9	58%	0.583	45%	0.446	S	S	*	.	H	α-helix	trans	-62.5	-46.1	176.6	-170.8	-173.7	-179.4	-161.2	0	111.4	A218 S219 L220 I224 L225 E226	A218-K222 PolarHBondContact O-N 3.48Å; S219-K222 PolarHBondContact O-N 2.89Å; L220-K222 VanDerWaalsContact C-N 3.28Å; L220-K222 PolarHBondContact O-N 3.41Å; K222-I224 VanDerWaalsContact C-N 3.35Å; K222-I224 PolarHBondContact O-N 2.97Å; K222-L225 WeakPolarHBondContact O-CB 3.41Å; K222-L225 PolarHBondContact O-N 2.86Å; K222-E226 WeakPolarHBondContact CE-OE1 3.38Å; K222-E226 IonicContact NZ-OE1 3.62Å; K222-E226 WeakPolarHBondContact O-CG 3.23Å; K222-E226 PolarHBondContact O-N 2.86Å
223	L	87.4	Confident	87.4	Confident	19 Å²	19	81.9 Å²	81.9	10%	0.099	43%	0.432	C	S	.	.	H	α-helix	trans	-64.2	-39.4	179	-170.1	66.5	0	0	0	112.1	S219 L220 L225 E226 V227 R248	S219-L223 PolarHBondContact O-N 3.33Å; L220-L223 PolarHBondContact O-N 2.94Å; L223-L225 VanDerWaalsContact C-N 3.31Å; L223-L225 PolarHBondContact O-N 2.87Å; L223-E226 PolarHBondContact O-N 3.46Å; L223-V227 WeakPolarHBondContact O-CB 3.38Å; L223-V227 VanDerWaalsContact O-CG2 3.26Å; L223-V227 WeakPolarHBondContact O-CG2 3.21Å; L223-V227 PolarHBondContact O-N 2.74Å; L223-R248 HydrophobicContact CD1-CB 4.42Å
224	I	87.9	Confident	87.4	Confident	121 Å²	121	83.1 Å²	83.1	62%	0.621	44%	0.444	S	S	*	.	H	α-helix	trans	-59.7	-42.9	174.2	-69.9	164.7	0	0	0	110.8	L220 K221 K222 G228	L220-I224 WeakPolarHBondContact O-CB 3.24Å; L220-I224 VanDerWaalsContact O-CG1 3.24Å; L220-I224 WeakPolarHBondContact O-CG1 3.19Å; L220-I224 PolarHBondContact O-N 2.82Å; K221-I224 PolarHBondContact O-N 3.3Å; K222-I224 VanDerWaalsContact C-N 3.35Å; K222-I224 PolarHBondContact O-N 2.97Å; I224-G228 PolarHBondContact O-N 2.84Å
225	L	88.8	Confident	87	Confident	110 Å²	110	84 Å²	84	58%	0.576	45%	0.453	S	S	*	.	H	α-helix	trans	-64.7	-47.9	175.7	-70.8	169.5	0	0	0	111.6	K221 K222 L223 V227 G228 E229	K221-L225 WeakPolarHBondContact O-CG 3.28Å; K221-L225 PolarHBondContact O-N 3.13Å; K221-L225 VanDerWaalsContact O-N 3.08Å; K222-L225 WeakPolarHBondContact O-CB 3.41Å; K222-L225 PolarHBondContact O-N 2.86Å; L223-L225 VanDerWaalsContact C-N 3.31Å; L223-L225 PolarHBondContact O-N 2.87Å; L225-V227 VanDerWaalsContact C-N 3.32Å; L225-V227 PolarHBondContact O-N 2.73Å; L225-G228 PolarHBondContact O-N 3.16Å; L225-G228 VanDerWaalsContact O-N 3.13Å; L225-E229 WeakPolarHBondContact O-CG 3.32Å; L225-E229 PolarHBondContact O-N 3.4Å
226	E	86.6	Confident	86.7	Confident	47 Å²	47	85.5 Å²	85.5	22%	0.22	46%	0.463	C	S	.	.	H	α-helix	trans	-58.1	-43.1	178.4	-73.3	179.1	-158.2	0	0	112	K222 L223 K230 R248	K222-E226 WeakPolarHBondContact CE-OE1 3.38Å; K222-E226 IonicContact NZ-OE1 3.62Å; K222-E226 WeakPolarHBondContact O-CG 3.23Å; K222-E226 PolarHBondContact O-N 2.86Å; L223-E226 PolarHBondContact O-N 3.46Å; E226-K230 WeakPolarHBondContact O-CB 3.23Å; E226-K230 WeakPolarHBondContact O-CG 3.48Å; E226-K230 PolarHBondContact O-N 2.78Å; E226-K230 VanDerWaalsContact O-N 3.11Å; E226-R248 IonicContact OE2-CZ 2.84Å; E226-R248 IonicContact OE2-NH1 3.31Å; E226-R248 PolarHBondContact OE2-NH1 2.93Å; E226-R248 IonicContact OE2-NH2 3.47Å; E226-R248 PolarHBondContact OE2-NH2 2.96Å
227	V	86.4	Confident	86.3	Confident	57 Å²	57	87.5 Å²	87.5	35%	0.345	47%	0.472	S	S	.	.	H	α-helix	trans	-66.3	-43.7	175.5	172.3	0	0	0	0	110.9	L223 L225 K230 S231 V245	L223-V227 WeakPolarHBondContact O-CB 3.38Å; L223-V227 VanDerWaalsContact O-CG2 3.26Å; L223-V227 WeakPolarHBondContact O-CG2 3.21Å; L223-V227 PolarHBondContact O-N 2.74Å; L225-V227 VanDerWaalsContact C-N 3.32Å; L225-V227 PolarHBondContact O-N 2.73Å; V227-K230 PolarHBondContact O-N 2.81Å; V227-S231 WeakPolarHBondContact O-CB 3.13Å; V227-S231 PolarHBondContact O-N 2.88Å; V227-V245 HydrophobicContact CG2-CG1 3.63Å
228	G	86.5	Confident	86	Confident	29 Å²	29	86.8 Å²	86.8	30%	0.299	47%	0.469	S	S	.	.	H	α-helix	trans	-59.6	-50.9	178	0	0	0	0	0	112.5	I224 L225 K230 S231 Q232	I224-G228 PolarHBondContact O-N 2.84Å; L225-G228 PolarHBondContact O-N 3.16Å; L225-G228 VanDerWaalsContact O-N 3.13Å; G228-K230 PolarHBondContact O-N 3.08Å; G228-S231 PolarHBondContact O-N 2.93Å; G228-S231 PolarHBondContact O-OG 3.38Å; G228-Q232 PolarHBondContact O-N 3.24Å
229	E	87.4	Confident	85.6	Confident	139 Å²	139	89.6 Å²	89.6	65%	0.65	48%	0.475	S	S	*	.	H	α-helix	trans	-60.2	-45.9	177.8	-71.8	176.3	172	0	0	111.7	L225 S231 Q232 A233	L225-E229 WeakPolarHBondContact O-CG 3.32Å; L225-E229 PolarHBondContact O-N 3.4Å; E229-S231 VanDerWaalsContact C-N 3.3Å; E229-S231 PolarHBondContact O-N 3.38Å; E229-Q232 PolarHBondContact O-N 3.01Å; E229-A233 PolarHBondContact O-N 3.41Å
230	K	83.4	Confident	85.1	Confident	80 Å²	80	92.5 Å²	92.5	35%	0.348	48%	0.482	S	S	.	.	H	α-helix	trans	-64	-33.6	177.6	-79.4	-72.9	-176	175.8	0	113.2	E226 V227 G228 Q232 A233 E237 L238 V245	E226-K230 WeakPolarHBondContact O-CB 3.23Å; E226-K230 WeakPolarHBondContact O-CG 3.48Å; E226-K230 PolarHBondContact O-N 2.78Å; E226-K230 VanDerWaalsContact O-N 3.11Å; V227-K230 PolarHBondContact O-N 2.81Å; G228-K230 PolarHBondContact O-N 3.08Å; K230-Q232 VanDerWaalsContact C-N 3.31Å; K230-Q232 PolarHBondContact O-N 3.1Å; K230-A233 PolarHBondContact O-N 3.06Å; K230-E237 PolarHBondContact NZ-O 2.95Å; K230-L238 WeakPolarHBondContact O-CD1 3.36Å; K230-V245 HydrophobicContact CG-CG2 4.46Å
231	S	84.4	Confident	84.6	Confident	77 Å²	77	95.4 Å²	95.4	54%	0.538	50%	0.498	S	S	.	.	H	α-helix	trans	-70.3	-26.6	178	75.2	0	0	0	0	113.6	V227 G228 E229	V227-S231 WeakPolarHBondContact O-CB 3.13Å; V227-S231 PolarHBondContact O-N 2.88Å; G228-S231 PolarHBondContact O-N 2.93Å; G228-S231 PolarHBondContact O-OG 3.38Å; E229-S231 VanDerWaalsContact C-N 3.3Å; E229-S231 PolarHBondContact O-N 3.38Å
232	Q	86.3	Confident	84.1	Confident	172 Å²	172	91.2 Å²	91.2	80%	0.804	48%	0.484	S	S	*	.	H	α-helix	trans	-95.4	-2.8	178.9	-63.4	-167.4	2.9	0	0	113.4	G228 E229 K230	G228-Q232 PolarHBondContact O-N 3.24Å; E229-Q232 PolarHBondContact O-N 3.01Å; K230-Q232 VanDerWaalsContact C-N 3.31Å; K230-Q232 PolarHBondContact O-N 3.1Å
233	A	85.6	Confident	83.6	Confident	22 Å²	22	92.8 Å²	92.8	18%	0.182	49%	0.491	C	S	.	.	S	Bend	trans	-71.2	153	-177.8	0	0	0	0	0	112.7	E229 K230 E237 L238	E229-A233 PolarHBondContact O-N 3.41Å; K230-A233 PolarHBondContact O-N 3.06Å; A233-E237 HydrophobicContact CB-CB 4.14Å; A233-L238 HydrophobicContact CB-CB 4.5Å
234	P	88.3	Confident	83.3	Confident	86 Å²	86	97.8 Å²	97.8	56%	0.558	51%	0.514	S	S	*	.			trans	-56.8	153.2	173.6	-22.3	32.3	0	0	0	112.9	L236 E237 L238	P234-L236 VanDerWaalsContact C-N 3.27Å; P234-L236 PolarHBondContact O-N 3.37Å; P234-E237 PolarHBondContact O-N 2.78Å; P234-L238 PolarHBondContact O-N 3.2Å
235	T	81.6	Confident	82.9	Confident	110 Å²	110	92.8 Å²	92.8	68%	0.675	49%	0.489	S	S	*	.	H	α-helix	trans	-50.1	-38.9	-169.4	-48.8	0	0	0	0	114.8	L239	T235-L239 HydrophobicContact CG2-CD1 4.18Å; T235-L239 WeakPolarHBondContact O-CB 3.42Å; T235-L239 WeakPolarHBondContact O-CD1 3.39Å; T235-L239 VanDerWaalsContact O-CG 3.23Å; T235-L239 WeakPolarHBondContact O-CG 3.39Å; T235-L239 PolarHBondContact O-N 3.25Å
236	L	80.5	Confident	82.4	Confident	144 Å²	144	91.8 Å²	91.8	75%	0.754	48%	0.484	S	S	*	.	H	α-helix	trans	-73.1	-34.5	179.3	-71.6	171.1	0	0	0	113.3	P234 Q240	P234-L236 VanDerWaalsContact C-N 3.27Å; P234-L236 PolarHBondContact O-N 3.37Å; L236-Q240 WeakPolarHBondContact O-CG 3.47Å
237	E	78.6	Confident	82.1	Confident	107 Å²	107	92.7 Å²	92.7	50%	0.5	49%	0.492	S	S	.	.	H	α-helix	trans	-80.8	-31.2	-179	-68.9	-177.5	-179.9	0	0	112.8	K230 A233 P234 Q240	K230-E237 PolarHBondContact NZ-O 2.95Å; A233-E237 HydrophobicContact CB-CB 4.14Å; P234-E237 PolarHBondContact O-N 2.78Å; E237-Q240 PolarHBondContact O-N 2.87Å
238	L	83.1	Confident	81.7	Confident	64 Å²	64	95.5 Å²	95.5	34%	0.335	50%	0.497	S	S	.	.	H	α-helix	trans	-66.3	-41	172.7	-176.2	153	0	0	0	111	K230 A233 P234 Q240	K230-L238 WeakPolarHBondContact O-CD1 3.36Å; A233-L238 HydrophobicContact CB-CB 4.5Å; P234-L238 PolarHBondContact O-N 3.2Å; L238-Q240 PolarHBondContact O-N 2.92Å
239	L	81.7	Confident	81.1	Confident	116 Å²	116	96.3 Å²	96.3	61%	0.607	50%	0.498	S	S	*	.	S	Bend	trans	-75	-9.2	-179.9	-69.5	175.5	0	0	0	113.5	T235 N241 P242	T235-L239 HydrophobicContact CG2-CD1 4.18Å; T235-L239 WeakPolarHBondContact O-CB 3.42Å; T235-L239 WeakPolarHBondContact O-CD1 3.39Å; T235-L239 VanDerWaalsContact O-CG 3.23Å; T235-L239 WeakPolarHBondContact O-CG 3.39Å; T235-L239 PolarHBondContact O-N 3.25Å; L239-N241 PolarHBondContact O-N 2.6Å; L239-P242 VanDerWaalsContact O-CD 3.3Å; L239-P242 WeakPolarHBondContact O-CD 3.35Å
240	Q	77.7	Confident	80.3	Confident	124 Å²	124	97 Å²	97	58%	0.579	50%	0.501	S	S	*	.	S	Bend	trans	-78.7	107.2	170.5	-76.4	178.8	1.8	0	0	111.1	L236 E237 L238	L236-Q240 WeakPolarHBondContact O-CG 3.47Å; E237-Q240 PolarHBondContact O-N 2.87Å; L238-Q240 PolarHBondContact O-N 2.92Å
241	N	76.4	Confident	79.6	Confident	111 Å²	111	99.1 Å²	99.1	59%	0.594	52%	0.515	S	S	*	.	S	Bend	trans	52.3	41.5	175.5	-59.4	-12.7	0	0	0	116.7	L239 K243 E244	L239-N241 PolarHBondContact O-N 2.6Å; N241-K243 PolarHBondContact O-N 3.24Å; N241-E244 PolarHBondContact O-N 3.16Å
242	P	78	Confident	78.8	Confident	47 Å²	47	98.8 Å²	98.8	31%	0.305	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-28.6	179.6	25.9	-34.3	0	0	0	112.7	L239 E244 V245 L246	L239-P242 VanDerWaalsContact O-CD 3.3Å; L239-P242 WeakPolarHBondContact O-CD 3.35Å; P242-E244 VanDerWaalsContact C-N 3.32Å; P242-E244 PolarHBondContact O-N 2.98Å; P242-V245 PolarHBondContact O-N 3.39Å; P242-L246 WeakPolarHBondContact O-CG 3.47Å; P242-L246 PolarHBondContact O-N 2.82Å; P242-L246 VanDerWaalsContact O-N 3.16Å
243	K	78.8	Confident	77.5	Confident	167 Å²	167	97.3 Å²	97.3	73%	0.726	50%	0.503	S	S	*	.	H	α-helix	trans	-61.1	-37.8	179.2	-67.2	-175	179.4	-178.9	0	112.3	N241 V245 L246 T247	N241-K243 PolarHBondContact O-N 3.24Å; K243-V245 VanDerWaalsContact C-N 3.34Å; K243-V245 PolarHBondContact O-N 2.85Å; K243-L246 PolarHBondContact O-N 3Å; K243-T247 WeakPolarHBondContact O-CB 3.38Å; K243-T247 PolarHBondContact O-N 3.15Å; K243-T247 PolarHBondContact O-OG1 2.83Å
244	E	81.4	Confident	76.2	Confident	123 Å²	123	101.5 Å²	101.5	58%	0.575	52%	0.52	S	S	*	.	H	α-helix	trans	-66.7	-34.7	-179.6	-74.9	-175.2	149.7	0	0	113.2	N241 P242 R248	N241-E244 PolarHBondContact O-N 3.16Å; P242-E244 VanDerWaalsContact C-N 3.32Å; P242-E244 PolarHBondContact O-N 2.98Å; E244-R248 WeakPolarHBondContact O-CB 3.35Å; E244-R248 WeakPolarHBondContact O-CG 3.41Å; E244-R248 PolarHBondContact O-N 3.31Å; E244-R248 PolarHBondContact O-NE 3Å
245	V	79.4	Confident	74.9	Confident	16 Å²	16	104.2 Å²	104.2	10%	0.097	53%	0.53	C	S	.	.	H	α-helix	trans	-71.4	-43.3	176.7	-175.3	0	0	0	0	109.8	V227 K230 P242 K243 R248 S249	V227-V245 HydrophobicContact CG2-CG1 3.63Å; K230-V245 HydrophobicContact CG-CG2 4.46Å; P242-V245 PolarHBondContact O-N 3.39Å; K243-V245 VanDerWaalsContact C-N 3.34Å; K243-V245 PolarHBondContact O-N 2.85Å; V245-R248 PolarHBondContact O-N 3.47Å; V245-S249 PolarHBondContact O-N 2.9Å
246	L	78.9	Confident	74.1	Confident	90 Å²	90	102.1 Å²	102.1	47%	0.471	51%	0.51	S	S	.	.	H	α-helix	trans	-63.6	-48.1	177.3	-69.7	168.8	0	0	0	111.9	P242 K243 R248 S249 E250	P242-L246 WeakPolarHBondContact O-CG 3.47Å; P242-L246 PolarHBondContact O-N 2.82Å; P242-L246 VanDerWaalsContact O-N 3.16Å; K243-L246 PolarHBondContact O-N 3Å; L246-R248 VanDerWaalsContact C-N 3.3Å; L246-R248 PolarHBondContact O-N 3.45Å; L246-S249 WeakPolarHBondContact CA-OG 3.38Å; L246-S249 WeakPolarHBondContact O-CA 3.45Å; L246-S249 PolarHBondContact O-N 2.99Å; L246-S249 PolarHBondContact O-OG 3.35Å; L246-E250 WeakPolarHBondContact O-CG 3.01Å; L246-E250 PolarHBondContact O-N 2.78Å
247	T	79.1	Confident	73.2	Confident	65 Å²	65	99.9 Å²	99.9	40%	0.399	51%	0.506	S	S	.	.	H	α-helix	trans	-60.1	-39.2	177.3	-53	0	0	0	0	111.8	K243 S249 E250 I251	K243-T247 WeakPolarHBondContact O-CB 3.38Å; K243-T247 PolarHBondContact O-N 3.15Å; K243-T247 PolarHBondContact O-OG1 2.83Å; T247-S249 VanDerWaalsContact C-N 3.32Å; T247-S249 PolarHBondContact O-N 2.68Å; T247-E250 PolarHBondContact O-N 2.97Å; T247-I251 HydrophobicContact CG2-CD1 3.45Å; T247-I251 VanDerWaalsContact CG2-CD1 3.45Å; T247-I251 HydrophobicContact CG2-CG1 4.29Å; T247-I251 WeakPolarHBondContact O-CB 3.38Å; T247-I251 WeakPolarHBondContact O-CD1 3.5Å; T247-I251 WeakPolarHBondContact O-CG1 3.37Å; T247-I251 PolarHBondContact O-N 2.89Å; T247-I251 VanDerWaalsContact O-N 3.08Å
248	R	78.6	Confident	72.3	Confident	116 Å²	116	101.5 Å²	101.5	44%	0.438	52%	0.517	S	S	.	.	H	α-helix	trans	-66.4	-33.3	174.4	-77.6	-175.7	-65.9	137.5	-3.6	112.7	L223 E226 E244 V245 L246	L223-R248 HydrophobicContact CD1-CB 4.42Å; E226-R248 IonicContact OE2-CZ 2.84Å; E226-R248 IonicContact OE2-NH1 3.31Å; E226-R248 PolarHBondContact OE2-NH1 2.93Å; E226-R248 IonicContact OE2-NH2 3.47Å; E226-R248 PolarHBondContact OE2-NH2 2.96Å; E244-R248 WeakPolarHBondContact O-CB 3.35Å; E244-R248 WeakPolarHBondContact O-CG 3.41Å; E244-R248 PolarHBondContact O-N 3.31Å; E244-R248 PolarHBondContact O-NE 3Å; V245-R248 PolarHBondContact O-N 3.47Å; L246-R248 VanDerWaalsContact C-N 3.3Å; L246-R248 PolarHBondContact O-N 3.45Å
249	S	73.2	Confident	71.3	Confident	46 Å²	46	103.7 Å²	103.7	32%	0.322	53%	0.526	S	S	.	.	H	α-helix	trans	-73.2	-34.8	176.3	72.9	0	0	0	0	113.5	V245 L246 T247	V245-S249 PolarHBondContact O-N 2.9Å; L246-S249 WeakPolarHBondContact CA-OG 3.38Å; L246-S249 WeakPolarHBondContact O-CA 3.45Å; L246-S249 PolarHBondContact O-N 2.99Å; L246-S249 PolarHBondContact O-OG 3.35Å; T247-S249 VanDerWaalsContact C-N 3.32Å; T247-S249 PolarHBondContact O-N 2.68Å
250	E	71.9	Confident	70.3	Confident	154 Å²	154	101.9 Å²	101.9	72%	0.72	53%	0.528	S	S	*	.	H	α-helix	trans	-78.3	-30.1	-179.7	-70.1	171.3	177.7	0	0	112.7	L246 T247	L246-E250 WeakPolarHBondContact O-CG 3.01Å; L246-E250 PolarHBondContact O-N 2.78Å; T247-E250 PolarHBondContact O-N 2.97Å
251	I	67.4	Low	69.8	Low	124 Å²	124	99.4 Å²	99.4	64%	0.636	52%	0.521	S	S	*	.	S	Bend	trans	-86.4	-8.3	-178.5	-64.1	173.3	0	0	0	112.5	T247 D253	T247-I251 HydrophobicContact CG2-CD1 3.45Å; T247-I251 VanDerWaalsContact CG2-CD1 3.45Å; T247-I251 HydrophobicContact CG2-CG1 4.29Å; T247-I251 WeakPolarHBondContact O-CB 3.38Å; T247-I251 WeakPolarHBondContact O-CD1 3.5Å; T247-I251 WeakPolarHBondContact O-CG1 3.37Å; T247-I251 PolarHBondContact O-N 2.89Å; T247-I251 VanDerWaalsContact O-N 3.08Å; I251-D253 VanDerWaalsContact C-N 3.28Å; I251-D253 PolarHBondContact O-N 2.91Å
252	Q	68.2	Low	69.5	Low	70 Å²	70	99.1 Å²	99.1	33%	0.327	51%	0.514	S	S	.	.			trans	-71.5	85.1	-177.4	-169.7	137.4	7.6	0	0	111.4	L220 M254	L220-Q252 HydrophobicContact CD2-CG 4.09Å; Q252-M254 PolarHBondContact O-N 3.49Å
253	D	58.8	Low	69.3	Low	141 Å²	141	101.2 Å²	101.2	75%	0.754	53%	0.526	S	S	*	.			trans	-77.5	118.4	-173.7	-138.3	-7.9	0	0	0	110.6	I251 N255	I251-D253 VanDerWaalsContact C-N 3.28Å; I251-D253 PolarHBondContact O-N 2.91Å; D253-N255 VanDerWaalsContact C-N 3.28Å; D253-N255 PolarHBondContact O-N 3.22Å; D253-N255 VanDerWaalsContact O-N 3.17Å
254	M	58.3	Low	69.1	Low	110 Å²	110	101.3 Å²	101.3	54%	0.542	53%	0.527	S	S	.	.			trans	-92.1	55.5	-174.9	-69.8	-69.7	-80.5	0	0	111	L220 Q252 Y256	L220-M254 HydrophobicContact CD1-CE 3.47Å; L220-M254 VanDerWaalsContact CD1-CE 3.47Å; L220-M254 HydrophobicContact CD1-SD 3.84Å; L220-M254 HydrophobicContact CD2-SD 4.48Å; L220-M254 HydrophobicContact CG-SD 4.43Å; Q252-M254 PolarHBondContact O-N 3.49Å; M254-Y256 PolarHBondContact O-N 3.29Å
255	N	60.5	Low	68.9	Low	143 Å²	143	97.4 Å²	97.4	77%	0.765	51%	0.511	S	S	*	.			trans	-87.3	78.5	-176.9	-136.7	-12.1	0	0	0	110.6	D253	D253-N255 VanDerWaalsContact C-N 3.28Å; D253-N255 PolarHBondContact O-N 3.22Å; D253-N255 VanDerWaalsContact O-N 3.17Å
256	Y	66	Low	68.8	Low	67 Å²	67	98.7 Å²	98.7	26%	0.263	52%	0.519	S	S	.	.			trans	-111	111.7	170.8	-177.9	-95.1	0	0	0	110	N209 L213 M254 L258	N209-Y256 WeakPolarHBondContact CB-OH 2.93Å; L213-Y256 HydrophobicContact CD1-CE1 4.16Å; L213-Y256 HydrophobicContact CD2-CD1 3.89Å; L213-Y256 HydrophobicContact CD2-CD2 3.93Å; L213-Y256 HydrophobicContact CD2-CE1 4.04Å; L213-Y256 HydrophobicContact CD2-CE2 4.09Å; L213-Y256 HydrophobicContact CD2-CG 3.83Å; L213-Y256 HydrophobicContact CG-CD2 4.46Å; L213-Y256 HydrophobicContact CG-CE1 4.4Å; L213-Y256 HydrophobicContact CG-CE2 4.16Å; M254-Y256 PolarHBondContact O-N 3.29Å; Y256-L258 HydrophobicContact CE1-CB 4.24Å; Y256-L258 HydrophobicContact CE1-CD1 3.83Å
257	S	60.4	Low	68.6	Low	96 Å²	96	97.5 Å²	97.5	67%	0.671	52%	0.518	S	S	*	.			trans	-89.1	117.4	171.7	-179.2	0	0	0	0	109.7	E259	S257-E259 PolarHBondContact O-N 2.99Å; S257-E259 VanDerWaalsContact O-N 3.13Å
258	L	60.3	Low	68.6	Low	141 Å²	141	98.7 Å²	98.7	74%	0.738	52%	0.519	S	S	*	.			trans	-73.1	103.3	175.7	-171.4	72.3	0	0	0	109.6	Y256 A260	Y256-L258 HydrophobicContact CE1-CB 4.24Å; Y256-L258 HydrophobicContact CE1-CD1 3.83Å; L258-A260 PolarHBondContact O-N 3Å
259	E	62	Low	68.7	Low	111 Å²	111	96.5 Å²	96.5	52%	0.519	52%	0.515	S	S	.	.			trans	-80.7	111	171.3	-68.7	-176.2	175	0	0	109.8	K205 S257 V261	K205-E259 VanDerWaalsContact CE-OE2 3.23Å; K205-E259 WeakPolarHBondContact CE-OE2 2.97Å; K205-E259 IonicContact NZ-OE2 2.79Å; K205-E259 PolarHBondContact NZ-OE2 3.38Å; S257-E259 PolarHBondContact O-N 2.99Å; S257-E259 VanDerWaalsContact O-N 3.13Å; E259-V261 PolarHBondContact O-N 3.48Å
260	A	60.5	Low	69	Low	78 Å²	78	96.8 Å²	96.8	65%	0.645	52%	0.515	S	S	*	.			trans	-62.2	119.9	172.6	0	0	0	0	0	110	L258 K262	L258-A260 PolarHBondContact O-N 3Å; A260-K262 PolarHBondContact O-N 2.83Å
261	V	67.9	Low	69.6	Low	72 Å²	72	94.5 Å²	94.5	44%	0.436	51%	0.508	S	S	.	.			trans	-72.6	116	172.2	-179.4	0	0	0	0	107.8	S202 E259	S202-V261 WeakPolarHBondContact OG-CG1 3.35Å; E259-V261 PolarHBondContact O-N 3.48Å
262	K	69.1	Low	70.5	Confident	104 Å²	104	89.6 Å²	89.6	45%	0.452	48%	0.482	S	S	.	.			trans	-110	138.5	178.9	-65	-176.8	-179	-178.3	0	109.5	A260	A260-K262 PolarHBondContact O-N 2.83Å
263	V	74.4	Confident	71.4	Confident	91 Å²	91	89 Å²	89	55%	0.552	48%	0.478	S	S	*	.			trans	-76	123.7	171	-175.5	0	0	0	0	108.8	L195 E198	L195-V263 HydrophobicContact CD1-CG1 3.9Å; E198-V263 WeakPolarHBondContact OE1-CA 3.29Å
264	K	75.5	Confident	72.9	Confident	170 Å²	170	86.9 Å²	86.9	74%	0.739	46%	0.464	S	S	*	.			trans	-101.8	-25.4	-177.3	-60.1	173.7	-176.5	173.2	0	111.9	E198 V266	E198-K264 VanDerWaalsContact OE1-CB 3.29Å; E198-K264 WeakPolarHBondContact OE1-CB 3.22Å; E198-K264 WeakPolarHBondContact OE1-CG 3.11Å; E198-K264 PolarHBondContact OE1-N 3.29Å; E198-K264 PolarHBondContact OE2-N 3.12Å; K264-V266 PolarHBondContact O-N 3.41Å
265	T	77.1	Confident	74.4	Confident	41 Å²	41	85.1 Å²	85.1	25%	0.252	46%	0.456	S	S	.	.			trans	-67.3	117.8	179	-58	0	0	0	0	110	R194 L195 E198	R194-T265 HydrophobicContact CB-CG2 4.32Å; L195-T265 HydrophobicContact CB-CG2 4.33Å; E198-T265 VanDerWaalsContact OE2-CB 3.3Å; E198-T265 WeakPolarHBondContact OE2-CB 3.41Å; E198-T265 PolarHBondContact OE2-N 3.44Å; E198-T265 PolarHBondContact OE2-OG1 3.32Å
266	V	76.3	Confident	75.9	Confident	43 Å²	43	78.4 Å²	78.4	26%	0.261	42%	0.419	S	S	.	.			trans	-108.6	132.3	178.7	176.9	0	0	0	0	109.2	F191 K264 Q268 V440	F191-V266 VanDerWaalsContact CE1-O 3.31Å; F191-V266 WeakPolarHBondContact CE1-O 3.46Å; K264-V266 PolarHBondContact O-N 3.41Å; V266-Q268 PolarHBondContact O-N 3.36Å; V266-V440 HydrophobicContact CG1-CB 4.4Å; V266-V440 HydrophobicContact CG1-CG1 3.35Å; V266-V440 HydrophobicContact CG1-CG2 4.23Å
267	C	75	Confident	77.1	Confident	65 Å²	65	78.1 Å²	78.1	44%	0.439	42%	0.42	S	S	.	.			trans	-79.3	103.7	175.3	-173.7	0	0	0	0	109.8
268	Q	79.4	Confident	78.5	Confident	90 Å²	90	79 Å²	79	42%	0.421	41%	0.413	S	S	.	.			trans	-118.9	95.8	176.6	-170.4	-179.7	9.6	0	0	109.7	F191 V266 P270 D438 V440	F191-Q268 VanDerWaalsContact CZ-O 3.25Å; F191-Q268 WeakPolarHBondContact CZ-O 3.37Å; V266-Q268 PolarHBondContact O-N 3.36Å; Q268-P270 WeakPolarHBondContact O-CD 3.41Å; Q268-D438 PolarHBondContact NE2-O 3.44Å; Q268-V440 HydrophobicContact CB-CG2 4.17Å; Q268-V440 HydrophobicContact CG-CG2 3.87Å
269	I	80.6	Confident	80.1	Confident	69 Å²	69	75 Å²	75	35%	0.354	39%	0.39	S	S	.	.			trans	-79.6	125.1	-179	-61.4	170.2	0	0	0	108.9	L184 M272	L184-I269 HydrophobicContact CD2-CG2 4.25Å; I269-M272 HydrophobicContact CB-CB 4.37Å; I269-M272 HydrophobicContact CB-CE 3.78Å; I269-M272 HydrophobicContact CD1-CE 3.66Å; I269-M272 HydrophobicContact CG1-CE 4.25Å; I269-M272 HydrophobicContact CG2-CE 4.01Å; I269-M272 WeakPolarHBondContact O-CB 3.43Å; I269-M272 PolarHBondContact O-N 3.37Å
270	P	79.4	Confident	81.7	Confident	52 Å²	52	71 Å²	71	34%	0.338	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	145	173.7	-25.2	34.8	0	0	0	111.5	F183 Q268 M272	F183-P270 HydrophobicContact CE1-CB 4.32Å; F183-P270 HydrophobicContact CE1-CG 4.09Å; F183-P270 HydrophobicContact CZ-CG 4.12Å; Q268-P270 WeakPolarHBondContact O-CD 3.41Å; P270-M272 PolarHBondContact O-N 2.93Å; P270-M272 VanDerWaalsContact O-N 3.12Å
271	L	84.3	Confident	83.2	Confident	107 Å²	107	69.1 Å²	69.1	56%	0.56	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	5.6	179.3	-54.8	166.1	0	0	0	115.9	K273 E274 M275	L271-K273 VanDerWaalsContact C-N 3.26Å; L271-K273 PolarHBondContact O-N 3.5Å; L271-E274 VanDerWaalsContact CA-OE2 3.26Å; L271-E274 WeakPolarHBondContact CA-OE2 3.44Å; L271-E274 HydrophobicContact CD2-CG 4.44Å; L271-E274 PolarHBondContact O-N 2.98Å; L271-M275 PolarHBondContact O-N 3.47Å
272	M	87.5	Confident	84.4	Confident	21 Å²	21	68.4 Å²	68.4	10%	0.103	35%	0.353	C	S	.	.	H	α-helix	trans	-55.8	-43.5	179.4	-178.8	56.6	62.8	0	0	111.3	I269 P270 E274 M275 L276 Y434	I269-M272 HydrophobicContact CB-CB 4.37Å; I269-M272 HydrophobicContact CB-CE 3.78Å; I269-M272 HydrophobicContact CD1-CE 3.66Å; I269-M272 HydrophobicContact CG1-CE 4.25Å; I269-M272 HydrophobicContact CG2-CE 4.01Å; I269-M272 WeakPolarHBondContact O-CB 3.43Å; I269-M272 PolarHBondContact O-N 3.37Å; P270-M272 PolarHBondContact O-N 2.93Å; P270-M272 VanDerWaalsContact O-N 3.12Å; M272-E274 PolarHBondContact O-N 3.43Å; M272-M275 HydrophobicContact CE-CE 4.28Å; M272-M275 WeakPolarHBondContact O-CB 3.26Å; M272-M275 PolarHBondContact O-N 3.23Å; M272-M275 HydrophobicContact SD-CE 3.37Å; M272-M275 WeakPolarHBondContact SD-CE 3.34Å; M272-L276 HydrophobicContact CG-CD1 3.91Å; M272-L276 HydrophobicContact CG-CG 4.31Å; M272-L276 WeakPolarHBondContact O-CB 3.47Å; M272-L276 WeakPolarHBondContact O-CG 3.1Å; M272-L276 PolarHBondContact O-N 2.95Å; M272-L276 HydrophobicContact SD-CD1 4.2Å; M272-L276 HydrophobicContact SD-CD2 4.41Å; M272-L276 HydrophobicContact SD-CG 4.06Å; M272-Y434 HydrophobicContact CG-CD1 4.04Å; M272-Y434 HydrophobicContact CG-CE1 3.9Å; M272-Y434 HydrophobicContact SD-CE1 3.98Å
273	K	86.8	Confident	85.5	Confident	56 Å²	56	63.6 Å²	63.6	24%	0.243	33%	0.333	C	S	.	.	H	α-helix	trans	-61.6	-46.6	178.8	-177.3	179.4	-176.2	169.1	0	112.4	L271 M275 L276 K277 A436 V437	L271-K273 VanDerWaalsContact C-N 3.26Å; L271-K273 PolarHBondContact O-N 3.5Å; K273-M275 VanDerWaalsContact C-N 3.29Å; K273-M275 PolarHBondContact O-N 3.06Å; K273-L276 PolarHBondContact O-N 3.4Å; K273-K277 WeakPolarHBondContact O-CB 3.19Å; K273-K277 WeakPolarHBondContact O-CG 3.34Å; K273-K277 PolarHBondContact O-N 3.27Å; K273-A436 WeakPolarHBondContact CE-O 3.49Å; K273-A436 PolarHBondContact NZ-O 2.97Å; K273-V437 PolarHBondContact NZ-O 3.47Å
274	E	88.8	Confident	86.2	Confident	98 Å²	98	62.4 Å²	62.4	46%	0.458	32%	0.323	S	S	.	.	H	α-helix	trans	-63.7	-37.6	179.1	-70.3	71	-162.4	0	0	111.3	L271 M272	L271-E274 VanDerWaalsContact CA-OE2 3.26Å; L271-E274 WeakPolarHBondContact CA-OE2 3.44Å; L271-E274 HydrophobicContact CD2-CG 4.44Å; L271-E274 PolarHBondContact O-N 2.98Å; M272-E274 PolarHBondContact O-N 3.43Å
275	M	90.1	Very high	87	Confident	73 Å²	73	54.3 Å²	54.3	36%	0.36	29%	0.288	S	S	.	.	H	α-helix	trans	-65.5	-51	173.4	-175.4	-156	72.2	0	0	111	L271 M272 K273 K277 Q278	L271-M275 PolarHBondContact O-N 3.47Å; M272-M275 HydrophobicContact CE-CE 4.28Å; M272-M275 WeakPolarHBondContact O-CB 3.26Å; M272-M275 PolarHBondContact O-N 3.23Å; M272-M275 HydrophobicContact SD-CE 3.37Å; M272-M275 WeakPolarHBondContact SD-CE 3.34Å; K273-M275 VanDerWaalsContact C-N 3.29Å; K273-M275 PolarHBondContact O-N 3.06Å; M275-K277 VanDerWaalsContact C-N 3.28Å; M275-K277 PolarHBondContact O-N 3.49Å; M275-Q278 VanDerWaalsContact O-CB 3.23Å; M275-Q278 WeakPolarHBondContact O-CB 3.26Å; M275-Q278 WeakPolarHBondContact O-CG 3.37Å; M275-Q278 PolarHBondContact O-N 3.02Å
276	L	91.8	Very high	87.6	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-58.3	-40.7	-179.8	-71.1	172.9	0	0	0	111.9	M272 K273 Q278 F279 Y355 Y423 Y434	M272-L276 HydrophobicContact CG-CD1 3.91Å; M272-L276 HydrophobicContact CG-CG 4.31Å; M272-L276 WeakPolarHBondContact O-CB 3.47Å; M272-L276 WeakPolarHBondContact O-CG 3.1Å; M272-L276 PolarHBondContact O-N 2.95Å; M272-L276 HydrophobicContact SD-CD1 4.2Å; M272-L276 HydrophobicContact SD-CD2 4.41Å; M272-L276 HydrophobicContact SD-CG 4.06Å; K273-L276 PolarHBondContact O-N 3.4Å; L276-Q278 PolarHBondContact O-N 2.88Å; L276-Q278 VanDerWaalsContact O-N 3.14Å; L276-F279 PolarHBondContact O-N 3.35Å; L276-Y355 HydrophobicContact CB-CD1 4.28Å; L276-Y355 HydrophobicContact CB-CD2 3.88Å; L276-Y355 HydrophobicContact CB-CE1 4.25Å; L276-Y355 HydrophobicContact CB-CE2 3.83Å; L276-Y355 HydrophobicContact CB-CG 4.1Å; L276-Y355 HydrophobicContact CD1-CE2 3.98Å; L276-Y355 HydrophobicContact CD2-CD2 4.27Å; L276-Y355 HydrophobicContact CG-CD2 4.45Å; L276-Y355 HydrophobicContact CG-CE2 4.34Å; L276-Y355 VanDerWaalsContact O-CB 3.32Å; L276-Y355 WeakPolarHBondContact O-CB 3.35Å; L276-Y355 WeakPolarHBondContact O-CD1 3.24Å; L276-Y423 HydrophobicContact CD2-CD1 4.13Å; L276-Y423 HydrophobicContact CD2-CD2 3.54Å; L276-Y423 HydrophobicContact CD2-CE2 4.16Å; L276-Y423 HydrophobicContact CD2-CG 3.52Å; L276-Y434 HydrophobicContact CD1-CD1 4Å; L276-Y434 HydrophobicContact CD1-CD2 3.54Å; L276-Y434 HydrophobicContact CD1-CE1 4.38Å; L276-Y434 HydrophobicContact CD1-CE2 3.94Å; L276-Y434 HydrophobicContact CD1-CG 3.57Å; L276-Y434 HydrophobicContact CD2-CD2 4.25Å; L276-Y434 HydrophobicContact CD2-CE2 3.93Å
277	K	91.4	Very high	88.1	Confident	61 Å²	61	54.8 Å²	54.8	27%	0.265	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-62.4	-17	176.3	-75.7	-173.6	174.8	-156.8	0	114.6	K273 M275 F279 Q280 Y355 E357	K273-K277 WeakPolarHBondContact O-CB 3.19Å; K273-K277 WeakPolarHBondContact O-CG 3.34Å; K273-K277 PolarHBondContact O-N 3.27Å; M275-K277 VanDerWaalsContact C-N 3.28Å; M275-K277 PolarHBondContact O-N 3.49Å; K277-F279 PolarHBondContact O-N 2.95Å; K277-Q280 WeakPolarHBondContact O-CB 3.2Å; K277-Q280 PolarHBondContact O-N 3.07Å; K277-Y355 HydrophobicContact CG-CE1 4.18Å; K277-E357 WeakPolarHBondContact CE-OE1 3.14Å
278	Q	91.4	Very high	88.5	Confident	115 Å²	115	57 Å²	57	54%	0.537	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-65.3	-23.2	172.1	-65.1	-179.8	21.6	0	0	112.6	M275 L276	M275-Q278 VanDerWaalsContact O-CB 3.23Å; M275-Q278 WeakPolarHBondContact O-CB 3.26Å; M275-Q278 WeakPolarHBondContact O-CG 3.37Å; M275-Q278 PolarHBondContact O-N 3.02Å; L276-Q278 PolarHBondContact O-N 2.88Å; L276-Q278 VanDerWaalsContact O-N 3.14Å
279	F	93.3	Very high	88.9	Confident	56 Å²	56	53 Å²	53	25%	0.246	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-104.5	15.4	-178.8	-53.3	-71.8	0	0	0	112	L276 K277 V281 K353 H354 Y355 Y423	L276-F279 PolarHBondContact O-N 3.35Å; K277-F279 PolarHBondContact O-N 2.95Å; F279-V281 PolarHBondContact O-N 3.06Å; F279-K353 HydrophobicContact CB-CB 4.42Å; F279-K353 HydrophobicContact CD1-CB 3.53Å; F279-K353 HydrophobicContact CD1-CD 4.29Å; F279-K353 HydrophobicContact CE1-CB 3.88Å; F279-K353 HydrophobicContact CE1-CD 3.77Å; F279-K353 HydrophobicContact CE1-CG 4.47Å; F279-K353 HydrophobicContact CE2-CD 4.46Å; F279-K353 HydrophobicContact CG-CB 3.92Å; F279-K353 HydrophobicContact CZ-CD 3.87Å; F279-H354 CarbonylContact O-C 3.56Å; F279-Y355 PolarHBondContact O-N 2.88Å; F279-Y423 HydrophobicContact CB-CE2 4.36Å; F279-Y423 AromaticContact CD2-CE2 3.74Å; F279-Y423 HydrophobicContact CD2-CE2 3.74Å; F279-Y423 HydrophobicContact CE2-CE2 4.34Å; F279-Y423 HydrophobicContact CG-CE2 4.15Å
280	Q	94.4	Very high	89.2	Confident	29 Å²	29	50 Å²	50	14%	0.136	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-65.7	128.7	-173.2	-163.4	177.3	11.4	0	0	111.3	K277 Y355 V470 T471	K277-Q280 WeakPolarHBondContact O-CB 3.2Å; K277-Q280 PolarHBondContact O-N 3.07Å; Q280-Y355 CarbonylContact C-O 3.54Å; Q280-Y355 VanDerWaalsContact CA-O 3.23Å; Q280-Y355 WeakPolarHBondContact CA-O 3.45Å; Q280-Y355 HydrophobicContact CB-CD1 4.27Å; Q280-Y355 HydrophobicContact CG-CD1 4.25Å; Q280-V470 HydrophobicContact CB-CG1 4.24Å; Q280-V470 HydrophobicContact CG-CG1 4.08Å; Q280-V470 HydrophobicContact CG-CG2 4.27Å; Q280-T471 PolarHBondContact OE1-OG1 3.09Å
281	V	93.8	Very high	89.4	Confident	37 Å²	37	48.2 Å²	48.2	22%	0.224	25%	0.247	C	C	.	.			trans	-122.6	147.3	178.3	-65.3	0	0	0	0	110.9	F279 V283 F349 H354 Y355 W356	F279-V281 PolarHBondContact O-N 3.06Å; V281-V283 HydrophobicContact CG2-CG2 4.21Å; V281-V283 PolarHBondContact O-N 3.39Å; V281-F349 HydrophobicContact CG2-CE1 4.23Å; V281-F349 HydrophobicContact CG2-CZ 4.04Å; V281-H354 HydrophobicContact CG1-CB 4.45Å; V281-H354 HydrophobicContact CG2-CB 4.12Å; V281-Y355 WeakPolarHBondContact CG2-O 3.45Å; V281-Y355 PolarHBondContact N-O 2.67Å; V281-W356 HydrophobicContact CG2-CE3 4.21Å
282	A	92.2	Very high	89.4	Confident	58 Å²	58	47.6 Å²	47.6	48%	0.479	25%	0.249	S	C	.	.			trans	-73.8	122.2	170.7	0	0	0	0	0	109.1	N347 V470	A282-N347 PolarHBondContact O-ND2 2.88Å; A282-N347 PolarHBondContact O-OD1 3.48Å; A282-V470 HydrophobicContact CB-CG2 3.88Å
283	V	91.6	Very high	89.3	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.018	27%	0.265	C	S	.	.			trans	-109.5	124.9	173	177.8	0	0	0	0	109.1	V281 W356 P455 F457 I467	V281-V283 HydrophobicContact CG2-CG2 4.21Å; V281-V283 PolarHBondContact O-N 3.39Å; V283-W356 HydrophobicContact CB-CB 4.5Å; V283-W356 HydrophobicContact CB-CG 4.39Å; V283-W356 HydrophobicContact CG2-CB 3.72Å; V283-W356 HydrophobicContact CG2-CD2 3.82Å; V283-W356 HydrophobicContact CG2-CE3 4.23Å; V283-W356 HydrophobicContact CG2-CG 3.58Å; V283-P455 HydrophobicContact CG1-CB 3.88Å; V283-P455 HydrophobicContact CG1-CG 3.67Å; V283-P455 HydrophobicContact CG2-CG 4.2Å; V283-F457 HydrophobicContact CG1-CE2 4.26Å; V283-F457 HydrophobicContact CG1-CZ 3.93Å; V283-I467 HydrophobicContact CB-CD1 4.33Å; V283-I467 HydrophobicContact CB-CG2 4.24Å; V283-I467 HydrophobicContact CG1-CD1 4Å
284	N	90.2	Very high	89.3	Confident	65 Å²	65	49.3 Å²	49.3	35%	0.348	26%	0.256	S	S	.	.			trans	-113.7	143.6	175.7	-65.3	-34.4	0	0	0	109.7	G345 K346	N284-G345 CarbonylContact O-C 3.58Å; N284-G345 WeakPolarHBondContact O-CA 3.48Å; N284-K346 HydrophobicContact CB-CD 4.1Å; N284-K346 PolarHBondContact O-N 3.21Å
285	L	90.9	Very high	89.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	136.5	178.8	-60.8	172.4	0	0	0	110.5	E287 F296 G300 V303 V343 K346 F457 I467	L285-E287 PolarHBondContact O-N 2.66Å; L285-F296 HydrophobicContact CB-CD1 4.26Å; L285-F296 HydrophobicContact CB-CE1 4.06Å; L285-F296 HydrophobicContact CD1-CD1 3.81Å; L285-F296 HydrophobicContact CD1-CE1 3.76Å; L285-F296 HydrophobicContact CG-CE1 4.5Å; L285-G300 WeakPolarHBondContact CB-O 3.34Å; L285-G300 WeakPolarHBondContact CG-O 3.49Å; L285-G300 PolarHBondContact N-O 3.19Å; L285-V303 HydrophobicContact CD1-CB 3.62Å; L285-V303 HydrophobicContact CD1-CG1 3.61Å; L285-V343 HydrophobicContact CB-CG2 4.21Å; L285-V343 HydrophobicContact CD2-CG1 3.95Å; L285-V343 HydrophobicContact CD2-CG2 4.41Å; L285-K346 WeakPolarHBondContact O-CE 2.91Å; L285-F457 HydrophobicContact CD2-CD2 3.42Å; L285-F457 VanDerWaalsContact CD2-CD2 3.42Å; L285-F457 HydrophobicContact CD2-CE2 3.44Å; L285-F457 VanDerWaalsContact CD2-CE2 3.44Å; L285-F457 HydrophobicContact CD2-CG 4.09Å; L285-F457 HydrophobicContact CD2-CZ 4.14Å; L285-I467 HydrophobicContact CD2-CD1 3.81Å; L285-I467 HydrophobicContact CG-CD1 3.99Å
286	A	89.6	Confident	89.3	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	87	175.1	0	0	0	0	0	108.5	D288 T289 V343 L344 K346	A286-D288 WeakPolarHBondContact CA-OD1 3.37Å; A286-D288 WeakPolarHBondContact CB-OD1 3.37Å; A286-D288 PolarHBondContact O-N 2.84Å; A286-T289 HydrophobicContact CB-CG2 3.86Å; A286-T289 WeakPolarHBondContact O-CB 3.37Å; A286-T289 PolarHBondContact O-N 3.39Å; A286-T289 PolarHBondContact O-OG1 2.91Å; A286-V343 WeakPolarHBondContact O-CG2 3.48Å; A286-L344 WeakPolarHBondContact CB-O 3.49Å; A286-L344 PolarHBondContact N-O 2.79Å; A286-K346 HydrophobicContact CB-CG 3.79Å
287	E	87.1	Confident	89.1	Confident	94 Å²	94	48.5 Å²	48.5	44%	0.439	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-58.6	-28.3	-174.6	-63.9	177.7	-152.7	0	0	113.6	L285 T289 A290 F296	L285-E287 PolarHBondContact O-N 2.66Å; E287-T289 VanDerWaalsContact C-N 3.25Å; E287-T289 PolarHBondContact O-N 3.03Å; E287-A290 VanDerWaalsContact O-CB 3.26Å; E287-A290 WeakPolarHBondContact O-CB 3.31Å; E287-A290 PolarHBondContact O-N 2.78Å; E287-F296 HydrophobicContact CB-CD2 4.44Å; E287-F296 HydrophobicContact CB-CE2 4.5Å; E287-F296 HydrophobicContact CG-CB 4.38Å; E287-F296 HydrophobicContact CG-CD1 4.2Å; E287-F296 HydrophobicContact CG-CD2 3.9Å; E287-F296 HydrophobicContact CG-CE2 4.3Å; E287-F296 HydrophobicContact CG-CG 3.87Å
288	D	85	Confident	88.2	Confident	111 Å²	111	55.3 Å²	55.3	59%	0.594	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-59.8	-35.2	172.3	56.2	-31.3	0	0	0	112.4	A286 A290 E335 R336	A286-D288 WeakPolarHBondContact CA-OD1 3.37Å; A286-D288 WeakPolarHBondContact CB-OD1 3.37Å; A286-D288 PolarHBondContact O-N 2.84Å; D288-A290 VanDerWaalsContact C-N 3.32Å; D288-E335 VanDerWaalsContact O-O 3.07Å; D288-R336 WeakPolarHBondContact O-CB 3.38Å
289	T	86.6	Confident	87.5	Confident	5 Å²	5	56 Å²	56	3%	0.031	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-79.7	-13.4	178.2	71.6	0	0	0	0	113.7	A286 E287 E335 R336 F337 L344 M376	A286-T289 HydrophobicContact CB-CG2 3.86Å; A286-T289 WeakPolarHBondContact O-CB 3.37Å; A286-T289 PolarHBondContact O-N 3.39Å; A286-T289 PolarHBondContact O-OG1 2.91Å; E287-T289 VanDerWaalsContact C-N 3.25Å; E287-T289 PolarHBondContact O-N 3.03Å; T289-E335 WeakPolarHBondContact CA-O 3.23Å; T289-R336 WeakPolarHBondContact O-CA 3.13Å; T289-F337 WeakPolarHBondContact O-CD2 3.41Å; T289-F337 PolarHBondContact O-N 3.19Å; T289-L344 HydrophobicContact CG2-CB 4.28Å; T289-L344 HydrophobicContact CG2-CD1 4.44Å; T289-L344 HydrophobicContact CG2-CG 4.45Å; T289-L344 PolarHBondContact OG1-N 3.09Å; T289-M376 HydrophobicContact CG2-CE 3.81Å; T289-M376 HydrophobicContact CG2-SD 4.07Å
290	A	86.3	Confident	86.7	Confident	7 Å²	7	53.6 Å²	53.6	6%	0.058	29%	0.287	C	S	.	.	S	Bend	trans	-72.7	147.3	-165.9	0	0	0	0	0	114.2	E287 D288 L294 F296 V343	E287-A290 VanDerWaalsContact O-CB 3.26Å; E287-A290 WeakPolarHBondContact O-CB 3.31Å; E287-A290 PolarHBondContact O-N 2.78Å; D288-A290 VanDerWaalsContact C-N 3.32Å; A290-L294 HydrophobicContact CB-CD1 4.46Å; A290-F296 HydrophobicContact CB-CE2 3.49Å; A290-F296 VanDerWaalsContact CB-CE2 3.49Å; A290-F296 HydrophobicContact CB-CZ 3.29Å; A290-V343 HydrophobicContact CB-CB 4.09Å; A290-V343 HydrophobicContact CB-CG2 3.84Å
291	H	84.8	Confident	86.2	Confident	15 Å²	15	55.6 Å²	55.6	7%	0.069	29%	0.293	C	S	.	.			trans	-63.8	140	168.9	-174.9	-90.8	0	0	0	112.1	K293 L294 F337 Q338 L340 C342	H291-K293 PolarHBondContact ND1-N 2.99Å; H291-K293 PolarHBondContact O-N 3.21Å; H291-L294 HydrophobicContact CB-CD1 4.3Å; H291-L294 HydrophobicContact CB-CG 4.22Å; H291-L294 WeakPolarHBondContact O-CB 3.2Å; H291-L294 PolarHBondContact O-N 3.11Å; H291-F337 VanDerWaalsContact CA-O 3.31Å; H291-F337 WeakPolarHBondContact CA-O 3.34Å; H291-F337 HydrophobicContact CB-CB 4.33Å; H291-F337 PolarHBondContact CD2-O 2.96Å; H291-Q338 PolarHBondContact NE2-O 3.24Å; H291-L340 VanDerWaalsContact CB-O 3.27Å; H291-L340 WeakPolarHBondContact CB-O 3.38Å; H291-L340 PolarHBondContact CD2-O 2.78Å; H291-C342 PolarHBondContact N-O 3.48Å; H291-C342 VanDerWaalsContact N-O 3.09Å
292	P	83.1	Confident	86	Confident	93 Å²	93	57.1 Å²	57.1	60%	0.604	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.5	-174.4	-27.2	34.8	0	0	0	116.6
293	K	85.2	Confident	86	Confident	102 Å²	102	54.4 Å²	54.4	44%	0.443	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-6.6	176.8	-65.8	-71.3	-176.9	178.6	0	113.7	H291 T306 A307	H291-K293 PolarHBondContact ND1-N 2.99Å; H291-K293 PolarHBondContact O-N 3.21Å; K293-T306 PolarHBondContact O-N 2.78Å; K293-T306 PolarHBondContact O-OG1 2.9Å; K293-A307 HydrophobicContact CB-CB 4.36Å; K293-A307 HydrophobicContact CG-CB 4.43Å
294	L	87.2	Confident	86	Confident	11 Å²	11	57.9 Å²	57.9	6%	0.058	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	132.2	175.5	-60.1	-177.4	0	0	0	109.7	A290 H291 F296 V303 K304 N305 P341 C342 V343 L459	A290-L294 HydrophobicContact CB-CD1 4.46Å; H291-L294 HydrophobicContact CB-CD1 4.3Å; H291-L294 HydrophobicContact CB-CG 4.22Å; H291-L294 WeakPolarHBondContact O-CB 3.2Å; H291-L294 PolarHBondContact O-N 3.11Å; L294-F296 HydrophobicContact CB-CE2 4Å; L294-F296 HydrophobicContact CB-CZ 3.84Å; L294-F296 HydrophobicContact CD1-CZ 4.45Å; L294-V303 HydrophobicContact CB-CG2 3.97Å; L294-V303 HydrophobicContact CD1-CG2 4.26Å; L294-V303 HydrophobicContact CD2-CG2 4.25Å; L294-V303 HydrophobicContact CG-CG2 4.38Å; L294-K304 WeakPolarHBondContact CA-O 3.32Å; L294-N305 HydrophobicContact CD2-CB 3.84Å; L294-P341 HydrophobicContact CD2-CB 4.18Å; L294-C342 WeakPolarHBondContact CD1-O 3.36Å; L294-V343 HydrophobicContact CD1-CB 3.95Å; L294-V343 HydrophobicContact CD1-CG1 4.05Å; L294-L459 HydrophobicContact CD1-CD1 4.46Å; L294-L459 HydrophobicContact CD2-CB 4.4Å; L294-L459 HydrophobicContact CD2-CD1 4.23Å
295	V	90.1	Very high	85.9	Confident	66 Å²	66	54.9 Å²	54.9	40%	0.4	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.2	174.4	-60.3	0	0	0	0	109.7	V303 K304 T306	V295-V303 WeakPolarHBondContact O-CA 3.35Å; V295-K304 HydrophobicContact CG2-CB 3.92Å; V295-K304 WeakPolarHBondContact CG2-O 3.17Å; V295-K304 PolarHBondContact N-O 2.83Å; V295-K304 PolarHBondContact O-N 3.27Å; V295-T306 HydrophobicContact CB-CG2 4.31Å; V295-T306 HydrophobicContact CG1-CG2 3.69Å; V295-T306 HydrophobicContact CG2-CG2 3.61Å
296	F	89.8	Confident	85.6	Confident	49 Å²	49	58.3 Å²	58.3	22%	0.215	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	151.1	-173	-58.6	-85	0	0	0	110.8	L285 E287 A290 L294 Y302 V303 V343	L285-F296 HydrophobicContact CB-CD1 4.26Å; L285-F296 HydrophobicContact CB-CE1 4.06Å; L285-F296 HydrophobicContact CD1-CD1 3.81Å; L285-F296 HydrophobicContact CD1-CE1 3.76Å; L285-F296 HydrophobicContact CG-CE1 4.5Å; E287-F296 HydrophobicContact CB-CD2 4.44Å; E287-F296 HydrophobicContact CB-CE2 4.5Å; E287-F296 HydrophobicContact CG-CB 4.38Å; E287-F296 HydrophobicContact CG-CD1 4.2Å; E287-F296 HydrophobicContact CG-CD2 3.9Å; E287-F296 HydrophobicContact CG-CE2 4.3Å; E287-F296 HydrophobicContact CG-CG 3.87Å; A290-F296 HydrophobicContact CB-CE2 3.49Å; A290-F296 VanDerWaalsContact CB-CE2 3.49Å; A290-F296 HydrophobicContact CB-CZ 3.29Å; L294-F296 HydrophobicContact CB-CE2 4Å; L294-F296 HydrophobicContact CB-CZ 3.84Å; L294-F296 HydrophobicContact CD1-CZ 4.45Å; F296-Y302 WeakPolarHBondContact CA-O 3.46Å; F296-V303 HydrophobicContact CD1-CB 3.88Å; F296-V303 HydrophobicContact CD1-CG2 3.94Å; F296-V303 HydrophobicContact CE1-CB 3.76Å; F296-V303 HydrophobicContact CE1-CG2 3.46Å; F296-V303 VanDerWaalsContact CE1-CG2 3.46Å; F296-V303 HydrophobicContact CZ-CG2 3.93Å; F296-V343 HydrophobicContact CE1-CG1 4.38Å; F296-V343 HydrophobicContact CE1-CG2 4.04Å; F296-V343 HydrophobicContact CZ-CB 4.33Å; F296-V343 HydrophobicContact CZ-CG2 3.97Å
297	S	87.7	Confident	85.1	Confident	40 Å²	40	58.3 Å²	58.3	28%	0.28	29%	0.293	S	S	.	.			trans	-75.3	161.8	164.2	68.2	0	0	0	0	110.8	E299 G300 Y302	S297-E299 PolarHBondContact O-N 2.93Å; S297-G300 PolarHBondContact O-N 2.98Å; S297-Y302 PolarHBondContact N-O 2.89Å; S297-Y302 VanDerWaalsContact N-O 3.11Å; S297-Y302 PolarHBondContact OG-N 3.07Å
298	Q	72.1	Confident	84.4	Confident	205 Å²	205	56.8 Å²	56.8	96%	0.958	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.9	179.6	-165.8	172.5	9.8	0	0	114.1
299	E	76.1	Confident	83.3	Confident	128 Å²	128	54.9 Å²	54.9	60%	0.598	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-3.3	179.7	-59.5	-177.4	166.4	0	0	113.7	S297 R301	S297-E299 PolarHBondContact O-N 2.93Å; E299-R301 VanDerWaalsContact C-N 3.26Å; E299-R301 PolarHBondContact O-N 3.26Å; E299-R301 IonicContact OE2-CZ 3.07Å; E299-R301 IonicContact OE2-NE 2.67Å; E299-R301 PolarHBondContact OE2-NE 3.44Å; E299-R301 IonicContact OE2-NH2 3.78Å; E299-R301 PolarHBondContact OE2-NH2 2.83Å
300	G	76	Confident	81.8	Confident	6 Å²	6	59.7 Å²	59.7	6%	0.062	33%	0.326	C	S	.	.	S	Bend	trans	67.6	18.8	177.5	0	0	0	0	0	115.5	L285 S297	L285-G300 WeakPolarHBondContact CB-O 3.34Å; L285-G300 WeakPolarHBondContact CG-O 3.49Å; L285-G300 PolarHBondContact N-O 3.19Å; S297-G300 PolarHBondContact O-N 2.98Å
301	R	84.4	Confident	80.1	Confident	71 Å²	71	62.3 Å²	62.3	27%	0.268	34%	0.344	S	S	.	.	S	Bend	trans	-109.8	-18.1	-178.8	-64.2	-170.4	-67.8	175.9	-4.3	114.5	E299 V466 I467	E299-R301 VanDerWaalsContact C-N 3.26Å; E299-R301 PolarHBondContact O-N 3.26Å; E299-R301 IonicContact OE2-CZ 3.07Å; E299-R301 IonicContact OE2-NE 2.67Å; E299-R301 PolarHBondContact OE2-NE 3.44Å; E299-R301 IonicContact OE2-NH2 3.78Å; E299-R301 PolarHBondContact OE2-NH2 2.83Å; R301-V466 CarbonylContact O-C 3.55Å; R301-V466 WeakPolarHBondContact O-CA 3.41Å; R301-I467 PolarHBondContact O-N 3.06Å
302	Y	90.8	Very high	78.7	Confident	70 Å²	70	64.7 Å²	64.7	28%	0.275	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135.5	174	173.7	-82.7	0	0	0	108.5	F296 S297 K304 S464 L465 V466	F296-Y302 WeakPolarHBondContact CA-O 3.46Å; S297-Y302 PolarHBondContact N-O 2.89Å; S297-Y302 VanDerWaalsContact N-O 3.11Å; S297-Y302 PolarHBondContact OG-N 3.07Å; Y302-K304 HydrophobicContact CE1-CB 3.66Å; Y302-S464 WeakPolarHBondContact OH-CB 3.14Å; Y302-S464 PolarHBondContact OH-OG 2.6Å; Y302-L465 WeakPolarHBondContact CA-O 3.46Å; Y302-V466 HydrophobicContact CD2-CG2 3.43Å; Y302-V466 VanDerWaalsContact CD2-CG2 3.43Å; Y302-V466 HydrophobicContact CE2-CG2 4.18Å; Y302-V466 HydrophobicContact CG-CG2 4.3Å
303	V	91.4	Very high	77	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.5	173	55.7	0	0	0	0	110.2	L285 L294 V295 F296 L459 S464 L465	L285-V303 HydrophobicContact CD1-CB 3.62Å; L285-V303 HydrophobicContact CD1-CG1 3.61Å; L294-V303 HydrophobicContact CB-CG2 3.97Å; L294-V303 HydrophobicContact CD1-CG2 4.26Å; L294-V303 HydrophobicContact CD2-CG2 4.25Å; L294-V303 HydrophobicContact CG-CG2 4.38Å; V295-V303 WeakPolarHBondContact O-CA 3.35Å; F296-V303 HydrophobicContact CD1-CB 3.88Å; F296-V303 HydrophobicContact CD1-CG2 3.94Å; F296-V303 HydrophobicContact CE1-CB 3.76Å; F296-V303 HydrophobicContact CE1-CG2 3.46Å; F296-V303 VanDerWaalsContact CE1-CG2 3.46Å; F296-V303 HydrophobicContact CZ-CG2 3.93Å; V303-L459 HydrophobicContact CG1-CD1 4.07Å; V303-L459 HydrophobicContact CG1-CD2 4Å; V303-L459 HydrophobicContact CG2-CD1 4.27Å; V303-L459 HydrophobicContact CG2-CD2 4.39Å; V303-S464 VanDerWaalsContact O-CA 3.26Å; V303-S464 WeakPolarHBondContact O-CA 3.33Å; V303-S464 WeakPolarHBondContact O-CB 3.41Å; V303-L465 HydrophobicContact CG1-CB 4.09Å; V303-L465 HydrophobicContact CG1-CD2 4.11Å; V303-L465 PolarHBondContact N-O 2.84Å; V303-L465 PolarHBondContact O-N 3.02Å
304	K	91	Very high	75.5	Confident	77 Å²	77	61.2 Å²	61.2	34%	0.335	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.7	175.6	179.8	172.1	-171.4	169.2	0	111	L294 V295 Y302 A463	L294-K304 WeakPolarHBondContact CA-O 3.32Å; V295-K304 HydrophobicContact CG2-CB 3.92Å; V295-K304 WeakPolarHBondContact CG2-O 3.17Å; V295-K304 PolarHBondContact N-O 2.83Å; V295-K304 PolarHBondContact O-N 3.27Å; Y302-K304 HydrophobicContact CE1-CB 3.66Å; K304-A463 WeakPolarHBondContact CA-O 3.42Å
305	N	88.5	Confident	73.8	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	120.5	169.4	-170.4	-11.9	0	0	0	110.1	L294 A307 P341 L459 S460 L462 A463	L294-N305 HydrophobicContact CD2-CB 3.84Å; N305-A307 WeakPolarHBondContact OD1-CB 3.47Å; N305-A307 PolarHBondContact OD1-N 2.9Å; N305-P341 VanDerWaalsContact ND2-CB 3.35Å; N305-P341 WeakPolarHBondContact ND2-CB 3.32Å; N305-L459 HydrophobicContact CB-CB 4.12Å; N305-L459 PolarHBondContact ND2-O 3.45Å; N305-S460 WeakPolarHBondContact CB-O 3.48Å; N305-S460 PolarHBondContact ND2-O 2.9Å; N305-S460 VanDerWaalsContact ND2-O 3.16Å; N305-L462 WeakPolarHBondContact O-CA 3.49Å; N305-L462 PolarHBondContact O-N 3.27Å; N305-A463 PolarHBondContact N-O 3.42Å
306	T	84.7	Confident	71.8	Confident	73 Å²	73	62.3 Å²	62.3	45%	0.448	35%	0.348	S	S	.	.			trans	-96.2	4.5	179.2	59.3	0	0	0	0	113.4	K293 V295	K293-T306 PolarHBondContact O-N 2.78Å; K293-T306 PolarHBondContact O-OG1 2.9Å; V295-T306 HydrophobicContact CB-CG2 4.31Å; V295-T306 HydrophobicContact CG1-CG2 3.69Å; V295-T306 HydrophobicContact CG2-CG2 3.61Å
307	A	80.2	Confident	69.6	Low	1 Å²	1	62.9 Å²	62.9	1%	0.008	36%	0.355	C	S	.	.			trans	-61.4	140.2	173.8	0	0	0	0	0	110.8	K293 N305 P461 L462	K293-A307 HydrophobicContact CB-CB 4.36Å; K293-A307 HydrophobicContact CG-CB 4.43Å; N305-A307 WeakPolarHBondContact OD1-CB 3.47Å; N305-A307 PolarHBondContact OD1-N 2.9Å; A307-P461 HydrophobicContact CB-CB 4.44Å; A307-L462 WeakPolarHBondContact O-CD2 3.18Å
308	S	70.6	Confident	67.6	Low	61 Å²	61	61.8 Å²	61.8	43%	0.427	35%	0.349	S	S	.	.			trans	-63.7	147.3	173.2	178	0	0	0	0	109.9	S310 S311	S308-S310 PolarHBondContact O-N 3.5Å; S308-S310 VanDerWaalsContact O-N 3.07Å; S308-S310 PolarHBondContact OG-N 2.92Å; S308-S310 PolarHBondContact OG-OG 3.25Å; S308-S311 WeakPolarHBondContact O-CB 3.3Å; S308-S311 PolarHBondContact O-N 3.38Å
309	A	62.3	Low	66.5	Low	71 Å²	71	55.4 Å²	55.4	59%	0.587	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-21	172.8	0	0	0	0	0	113	L462	A309-L462 HydrophobicContact CB-CD1 4.23Å
310	S	55.7	Low	64.8	Low	106 Å²	106	55.4 Å²	55.4	74%	0.741	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-13.2	174.4	61.1	0	0	0	0	114.3	S308	S308-S310 PolarHBondContact O-N 3.5Å; S308-S310 VanDerWaalsContact O-N 3.07Å; S308-S310 PolarHBondContact OG-N 2.92Å; S308-S310 PolarHBondContact OG-OG 3.25Å
311	S	50.4	Low	63.2	Low	62 Å²	62	61.7 Å²	61.7	43%	0.434	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-24	-173.8	-61.7	0	0	0	0	113.4	S308	S308-S311 WeakPolarHBondContact O-CB 3.3Å; S308-S311 PolarHBondContact O-N 3.38Å
312	W	54.8	Low	61.1	Low	65 Å²	65	62.3 Å²	62.3	25%	0.246	35%	0.348	C	S	.	.	S	Bend	trans	-145.4	141.9	179.8	-58.1	65.2	0	0	0	109.4	H339 P461	W312-H339 VanDerWaalsContact CH2-C 3.45Å; W312-H339 WeakPolarHBondContact CH2-O 3.26Å; W312-H339 WeakPolarHBondContact CZ3-O 3.23Å; W312-P461 HydrophobicContact CB-CG 3.65Å; W312-P461 HydrophobicContact CG-CG 4.29Å
313	P	48.7	Very low	58.6	Low	38 Å²	38	62.3 Å²	62.3	25%	0.247	36%	0.362	C	S	.	.			trans	-71.4	165.9	176.5	-8.7	24.9	0	0	0	111.9	T317 Y321	P313-T317 VanDerWaalsContact CB-C 3.47Å; P313-T317 WeakPolarHBondContact CB-OG1 3.42Å; P313-Y321 HydrophobicContact CG-CD2 4.23Å; P313-Y321 HydrophobicContact CG-CE2 4.41Å
314	V	53.7	Low	55.8	Low	84 Å²	84	65.1 Å²	65.1	51%	0.509	39%	0.391	S	S	.	.			trans	-54.6	157	167.7	-172.3	0	0	0	0	109.5	S316 T317 A318 E365	V314-S316 PolarHBondContact O-N 3.06Å; V314-T317 PolarHBondContact N-OG1 3.28Å; V314-T317 WeakPolarHBondContact O-CA 3.5Å; V314-T317 PolarHBondContact O-N 3Å; V314-T317 PolarHBondContact O-OG1 2.9Å; V314-T317 VanDerWaalsContact O-OG1 3.09Å; V314-A318 PolarHBondContact O-N 3.01Å; V314-E365 WeakPolarHBondContact CG1-OE1 3.19Å; V314-E365 WeakPolarHBondContact CG1-OE2 2.99Å
315	F	50.9	Low	53.3	Low	14 Å²	14	71.5 Å²	71.5	6%	0.061	41%	0.413	C	S	.	.	H	α-helix	trans	-46.2	-40.5	-173	-166.7	-107.7	0	0	0	113.9	T317 W319 E365 Y394 L403 W458	F315-T317 PolarHBondContact O-N 3.44Å; F315-W319 HydrophobicContact CD1-CE3 4.34Å; F315-W319 AromaticContact CD1-CZ3 3.81Å; F315-W319 HydrophobicContact CD1-CZ3 3.81Å; F315-W319 HydrophobicContact CE1-CE3 4.28Å; F315-W319 HydrophobicContact CE1-CH2 4.24Å; F315-W319 AromaticContact CE1-CZ3 3.42Å; F315-W319 HydrophobicContact CE1-CZ3 3.42Å; F315-W319 VanDerWaalsContact CE1-CZ3 3.42Å; F315-W319 HydrophobicContact CZ-CZ3 4.12Å; F315-E365 WeakPolarHBondContact CB-OE2 3.42Å; F315-E365 PolarHBondContact N-OE2 3.21Å; F315-Y394 HydrophobicContact CD1-CD1 4.01Å; F315-Y394 AromaticContact CD1-CD2 3.85Å; F315-Y394 HydrophobicContact CD1-CD2 3.85Å; F315-Y394 AromaticContact CD1-CE1 3.7Å; F315-Y394 HydrophobicContact CD1-CE1 3.7Å; F315-Y394 AromaticContact CD1-CE2 3.58Å; F315-Y394 HydrophobicContact CD1-CE2 3.58Å; F315-Y394 HydrophobicContact CD1-CG 4.06Å; F315-Y394 AromaticContact CD1-CZ 3.5Å; F315-Y394 AromaticContact CE1-CD1 3.25Å; F315-Y394 HydrophobicContact CE1-CD1 3.25Å; F315-Y394 AromaticContact CE1-CD2 3.91Å; F315-Y394 HydrophobicContact CE1-CD2 3.91Å; F315-Y394 AromaticContact CE1-CE1 3.14Å; F315-Y394 HydrophobicContact CE1-CE1 3.14Å; F315-Y394 AromaticContact CE1-CE2 3.87Å; F315-Y394 HydrophobicContact CE1-CE2 3.87Å; F315-Y394 AromaticContact CE1-CG 3.62Å; F315-Y394 HydrophobicContact CE1-CG 3.62Å; F315-Y394 AromaticContact CE1-CZ 3.5Å; F315-Y394 HydrophobicContact CE2-CG 4.41Å; F315-Y394 HydrophobicContact CG-CD2 4.29Å; F315-Y394 HydrophobicContact CG-CE2 4.29Å; F315-Y394 AromaticContact CZ-CD1 3.61Å; F315-Y394 HydrophobicContact CZ-CD1 3.61Å; F315-Y394 HydrophobicContact CZ-CD2 4.38Å; F315-Y394 AromaticContact CZ-CE1 3.99Å; F315-Y394 HydrophobicContact CZ-CE1 3.99Å; F315-Y394 AromaticContact CZ-CG 3.81Å; F315-Y394 HydrophobicContact CZ-CG 3.81Å; F315-L403 HydrophobicContact CE1-CD2 4.23Å; F315-L403 HydrophobicContact CZ-CD2 3.67Å; F315-W458 HydrophobicContact CB-CH2 4.31Å; F315-W458 HydrophobicContact CD2-CE3 4.06Å; F315-W458 AromaticContact CD2-CH2 3.39Å; F315-W458 HydrophobicContact CD2-CH2 3.39Å; F315-W458 AromaticContact CD2-CZ2 3.87Å; F315-W458 HydrophobicContact CD2-CZ2 3.87Å; F315-W458 AromaticContact CD2-CZ3 3.47Å; F315-W458 HydrophobicContact CD2-CZ3 3.47Å; F315-W458 VanDerWaalsContact CD2-CZ3 3.47Å; F315-W458 HydrophobicContact CE2-CD2 4.34Å; F315-W458 HydrophobicContact CE2-CE3 4.02Å; F315-W458 HydrophobicContact CE2-CH2 4.12Å; F315-W458 HydrophobicContact CE2-CZ2 4.38Å; F315-W458 AromaticContact CE2-CZ3 3.91Å; F315-W458 HydrophobicContact CE2-CZ3 3.91Å; F315-W458 HydrophobicContact CG-CH2 4.33Å; F315-W458 HydrophobicContact CG-CZ3 4.47Å
316	S	47.2	Very low	50.8	Low	86 Å²	86	81.1 Å²	81.1	60%	0.601	45%	0.45	S	S	*	.	H	α-helix	trans	-62.6	-19.5	177	60.9	0	0	0	0	115.4	V314	V314-S316 PolarHBondContact O-N 3.06Å
317	T	44.5	Very low	48.5	Very low	61 Å²	61	84.4 Å²	84.4	37%	0.374	46%	0.464	S	S	.	.	H	α-helix	trans	-121.5	-19.2	-175.6	34.9	0	0	0	0	113.4	P313 V314 F315 W319 N320	P313-T317 VanDerWaalsContact CB-C 3.47Å; P313-T317 WeakPolarHBondContact CB-OG1 3.42Å; V314-T317 PolarHBondContact N-OG1 3.28Å; V314-T317 WeakPolarHBondContact O-CA 3.5Å; V314-T317 PolarHBondContact O-N 3Å; V314-T317 PolarHBondContact O-OG1 2.9Å; V314-T317 VanDerWaalsContact O-OG1 3.09Å; F315-T317 PolarHBondContact O-N 3.44Å; T317-W319 PolarHBondContact O-N 3.43Å; T317-W319 VanDerWaalsContact O-N 3.11Å; T317-N320 PolarHBondContact O-N 2.97Å
318	A	46.4	Very low	46.6	Very low	18 Å²	18	89.5 Å²	89.5	15%	0.149	50%	0.497	C	S	.	.	H	α-helix	trans	-56.5	-22.5	164	0	0	0	0	0	111.5	V314 N320 Y321	V314-A318 PolarHBondContact O-N 3.01Å; A318-N320 PolarHBondContact O-N 3.32Å; A318-Y321 PolarHBondContact O-N 2.9Å
319	W	49.1	Very low	45.2	Very low	71 Å²	71	94.1 Å²	94.1	27%	0.269	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-55.2	-39	173.5	-136.4	-76.4	0	0	0	115.5	F315 T317 T383	F315-W319 HydrophobicContact CD1-CE3 4.34Å; F315-W319 AromaticContact CD1-CZ3 3.81Å; F315-W319 HydrophobicContact CD1-CZ3 3.81Å; F315-W319 HydrophobicContact CE1-CE3 4.28Å; F315-W319 HydrophobicContact CE1-CH2 4.24Å; F315-W319 AromaticContact CE1-CZ3 3.42Å; F315-W319 HydrophobicContact CE1-CZ3 3.42Å; F315-W319 VanDerWaalsContact CE1-CZ3 3.42Å; F315-W319 HydrophobicContact CZ-CZ3 4.12Å; T317-W319 PolarHBondContact O-N 3.43Å; T317-W319 VanDerWaalsContact O-N 3.11Å; W319-T383 HydrophobicContact CH2-CG2 4.22Å; W319-T383 HydrophobicContact CZ2-CG2 3.37Å
320	N	40.1	Very low	44.3	Very low	127 Å²	127	99.7 Å²	99.7	68%	0.679	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-84.9	-11.4	-174.9	-77.8	-29.4	0	0	0	113.4	T317 A318 F322	T317-N320 PolarHBondContact O-N 2.97Å; A318-N320 PolarHBondContact O-N 3.32Å; N320-F322 VanDerWaalsContact C-N 3.26Å; N320-F322 PolarHBondContact O-N 3.02Å
321	Y	41.2	Very low	43.5	Very low	139 Å²	139	102.3 Å²	102.3	55%	0.545	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-72.8	-17.9	177	-107.8	-89	0	0	0	113.2	P313 A318 A323	P313-Y321 HydrophobicContact CG-CD2 4.23Å; P313-Y321 HydrophobicContact CG-CE2 4.41Å; A318-Y321 PolarHBondContact O-N 2.9Å; Y321-A323 VanDerWaalsContact C-N 3.34Å; Y321-A323 PolarHBondContact O-N 3.48Å
322	F	40.9	Very low	43.4	Very low	84 Å²	84	101.9 Å²	101.9	37%	0.368	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-66.9	-29.7	176.2	-114	-91.7	0	0	0	113.6	N320 L340	N320-F322 VanDerWaalsContact C-N 3.26Å; N320-F322 PolarHBondContact O-N 3.02Å; F322-L340 HydrophobicContact CE2-CD1 3.69Å; F322-L340 HydrophobicContact CE2-CD2 4.13Å; F322-L340 HydrophobicContact CE2-CG 4.26Å; F322-L340 HydrophobicContact CZ-CD1 3.97Å
323	A	37.8	Very low	43.1	Very low	69 Å²	69	108.6 Å²	108.6	57%	0.57	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-84.4	-16.4	-175.1	0	0	0	0	0	113.9	Y321	Y321-A323 VanDerWaalsContact C-N 3.34Å; Y321-A323 PolarHBondContact O-N 3.48Å
324	G	34.1	Very low	43.5	Very low	59 Å²	59	109.2 Å²	109.2	61%	0.608	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-22	-163.3	0	0	0	0	0	117.7
325	W	36.8	Very low	44	Very low	212 Å²	212	111 Å²	111	80%	0.803	57%	0.568	S	S	*	*			trans	-110.1	110.1	-170.2	-86	66.3	0	0	0	112.8
326	R	36.2	Very low	45.1	Very low	203 Å²	203	116.3 Å²	116.3	77%	0.766	59%	0.587	S	S	*	*			trans	-89.6	134.7	172.5	-115.3	-160.9	-71	-122.1	3.5	109.7
327	N	36.7	Very low	46.5	Very low	142 Å²	142	113.3 Å²	113.3	76%	0.759	56%	0.564	S	S	*	*			trans	-136.1	104.5	143.1	-151.4	-0.3	0	0	0	108.9	Q329	N327-Q329 PolarHBondContact O-N 3.01Å; N327-Q329 VanDerWaalsContact O-N 3.12Å
328	P	40.1	Very low	47.6	Very low	108 Å²	108	116.1 Å²	116.1	70%	0.701	57%	0.572	S	S	*	*			trans	-82.4	24	-172	23.1	-15.3	0	0	0	114.2
329	Q	42.3	Very low	48.6	Very low	157 Å²	157	121.8 Å²	121.8	73%	0.734	60%	0.596	S	S	*	*			trans	-140.8	96.2	-179	-68.7	-176.2	-0.8	0	0	110.9	N327	N327-Q329 PolarHBondContact O-N 3.01Å; N327-Q329 VanDerWaalsContact O-N 3.12Å
330	K	42.9	Very low	49.8	Very low	189 Å²	189	119.9 Å²	119.9	82%	0.822	59%	0.59	S	S	*	*			trans	179.9	108.1	137.2	-99.1	162.7	-173.6	-174.3	0	111.4	A332	K330-A332 HydrophobicContact CB-CB 4.11Å; K330-A332 HydrophobicContact CG-CB 4.21Å; K330-A332 PolarHBondContact O-N 3.21Å; K330-A332 VanDerWaalsContact O-N 3.1Å
331	T	39.5	Very low	51.9	Low	160 Å²	160	114 Å²	114	98%	0.982	56%	0.559	S	S	*	*			trans	-76.4	57.6	155.7	50.1	0	0	0	0	109.6
332	A	46.6	Very low	54.1	Low	54 Å²	54	107.3 Å²	107.3	45%	0.446	53%	0.533	S	S	.	.	S	Bend	trans	-119.4	138.9	-179.5	0	0	0	0	0	109.8	K330 V334	K330-A332 HydrophobicContact CB-CB 4.11Å; K330-A332 HydrophobicContact CG-CB 4.21Å; K330-A332 PolarHBondContact O-N 3.21Å; K330-A332 VanDerWaalsContact O-N 3.1Å; A332-V334 PolarHBondContact O-N 3.35Å; A332-V334 VanDerWaalsContact O-N 3.09Å
333	Y	49	Very low	56.4	Low	205 Å²	205	103.3 Å²	103.3	80%	0.804	52%	0.516	S	S	*	.			trans	-52.6	113.7	170.1	-174.5	-99.2	0	0	0	109.1	E335	Y333-E335 HydrophobicContact CD1-CG 3.73Å; Y333-E335 HydrophobicContact CE1-CG 3.93Å; Y333-E335 PolarHBondContact O-N 2.94Å
334	V	58	Low	59	Low	52 Å²	52	100.1 Å²	100.1	32%	0.315	49%	0.489	S	S	.	.			trans	-85	102	-179.8	179.6	0	0	0	0	107.7	A332 R336	A332-V334 PolarHBondContact O-N 3.35Å; A332-V334 VanDerWaalsContact O-N 3.09Å; V334-R336 WeakPolarHBondContact CG1-O 3.36Å; V334-R336 PolarHBondContact O-N 3.41Å
335	E	64.4	Low	61.8	Low	122 Å²	122	97.3 Å²	97.3	57%	0.57	46%	0.46	S	S	*	.			trans	-69.2	-21.8	179.6	-66.5	179	166.9	0	0	112.9	D288 T289 Y333	D288-E335 VanDerWaalsContact O-O 3.07Å; T289-E335 WeakPolarHBondContact CA-O 3.23Å; Y333-E335 HydrophobicContact CD1-CG 3.73Å; Y333-E335 HydrophobicContact CE1-CG 3.93Å; Y333-E335 PolarHBondContact O-N 2.94Å
336	R	74.4	Confident	64.4	Low	124 Å²	124	92.8 Å²	92.8	47%	0.468	45%	0.446	S	S	.	.	S	Bend	trans	-149.3	151.9	-173.2	79.6	-171.7	81.1	-179.3	4.2	114.2	D288 T289 V334 Q338	D288-R336 WeakPolarHBondContact O-CB 3.38Å; T289-R336 WeakPolarHBondContact O-CA 3.13Å; V334-R336 WeakPolarHBondContact CG1-O 3.36Å; V334-R336 PolarHBondContact O-N 3.41Å; R336-Q338 PolarHBondContact O-N 3.48Å
337	F	74.9	Confident	67.1	Low	23 Å²	23	85.1 Å²	85.1	10%	0.101	42%	0.42	C	S	.	.			trans	-63.8	127	173.5	-70.4	-74.4	0	0	0	112	T289 H291 C342 L344 V375 M376 F456	T289-F337 WeakPolarHBondContact O-CD2 3.41Å; T289-F337 PolarHBondContact O-N 3.19Å; H291-F337 VanDerWaalsContact CA-O 3.31Å; H291-F337 WeakPolarHBondContact CA-O 3.34Å; H291-F337 HydrophobicContact CB-CB 4.33Å; H291-F337 PolarHBondContact CD2-O 2.96Å; F337-C342 HydrophobicContact CB-CB 4.27Å; F337-C342 HydrophobicContact CD1-CB 3.93Å; F337-C342 HydrophobicContact CD2-CB 3.38Å; F337-C342 WeakPolarHBondContact CD2-O 3.4Å; F337-C342 HydrophobicContact CE1-CB 4.06Å; F337-C342 HydrophobicContact CE2-CB 3.52Å; F337-C342 HydrophobicContact CG-CB 3.6Å; F337-C342 HydrophobicContact CZ-CB 3.87Å; F337-L344 HydrophobicContact CE2-CD2 3.73Å; F337-L344 HydrophobicContact CE2-CG 3.8Å; F337-L344 HydrophobicContact CZ-CD2 3.85Å; F337-L344 HydrophobicContact CZ-CG 4.23Å; F337-V375 HydrophobicContact CZ-CG1 4.15Å; F337-M376 HydrophobicContact CD1-CG 4.3Å; F337-M376 HydrophobicContact CD2-CG 4.5Å; F337-M376 HydrophobicContact CD2-SD 4.36Å; F337-M376 HydrophobicContact CE1-CG 3.82Å; F337-M376 HydrophobicContact CE2-CG 4.05Å; F337-M376 HydrophobicContact CE2-SD 4.17Å; F337-M376 HydrophobicContact CZ-CG 3.67Å; F337-M376 HydrophobicContact CZ-SD 4.4Å; F337-F456 HydrophobicContact CZ-CE2 4.47Å
338	Q	67.8	Low	69.8	Low	120 Å²	120	80.4 Å²	80.4	56%	0.561	40%	0.396	S	S	*	.	S	Bend	trans	-104.8	-21	-179.2	-61.3	-173.3	11.2	0	0	113.9	H291 R336	H291-Q338 PolarHBondContact NE2-O 3.24Å; R336-Q338 PolarHBondContact O-N 3.48Å
339	H	68.8	Low	72.4	Confident	137 Å²	137	75.7 Å²	75.7	63%	0.634	37%	0.365	S	S	*	.	S	Bend	trans	-128.3	-2.5	-166.1	-56.2	-51.5	0	0	0	114.1	W312	W312-H339 VanDerWaalsContact CH2-C 3.45Å; W312-H339 WeakPolarHBondContact CH2-O 3.26Å; W312-H339 WeakPolarHBondContact CZ3-O 3.23Å
340	L	73.5	Confident	74.7	Confident	31 Å²	31	71.8 Å²	71.8	16%	0.162	35%	0.352	C	S	.	.	S	Bend	trans	-137.9	139.3	175.4	-69.5	165.6	0	0	0	107.3	H291 F322 C342 M384	H291-L340 VanDerWaalsContact CB-O 3.27Å; H291-L340 WeakPolarHBondContact CB-O 3.38Å; H291-L340 PolarHBondContact CD2-O 2.78Å; F322-L340 HydrophobicContact CE2-CD1 3.69Å; F322-L340 HydrophobicContact CE2-CD2 4.13Å; F322-L340 HydrophobicContact CE2-CG 4.26Å; F322-L340 HydrophobicContact CZ-CD1 3.97Å; L340-C342 HydrophobicContact CB-CB 4.48Å; L340-C342 PolarHBondContact O-N 3.01Å; L340-M384 HydrophobicContact CB-CE 4.22Å; L340-M384 HydrophobicContact CD1-CE 3.32Å; L340-M384 HydrophobicContact CD2-CE 4.07Å; L340-M384 HydrophobicContact CG-CE 4.05Å
341	P	83.8	Confident	77.1	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.019	34%	0.339	C	S	.	.	S	Bend	trans	-71.4	64.2	174.4	31.5	-36.4	0	0	0	110.7	L294 N305 L459	L294-P341 HydrophobicContact CD2-CB 4.18Å; N305-P341 VanDerWaalsContact ND2-CB 3.35Å; N305-P341 WeakPolarHBondContact ND2-CB 3.32Å; P341-L459 VanDerWaalsContact CB-O 3.29Å; P341-L459 WeakPolarHBondContact CB-O 3.45Å; P341-L459 WeakPolarHBondContact CG-O 3.46Å; P341-L459 PolarHBondContact O-N 3.29Å
342	C	87.8	Confident	79.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	155.8	-179.2	-71.5	0	0	0	0	111.3	H291 L294 F337 L340 F456 F457 W458	H291-C342 PolarHBondContact N-O 3.48Å; H291-C342 VanDerWaalsContact N-O 3.09Å; L294-C342 WeakPolarHBondContact CD1-O 3.36Å; F337-C342 HydrophobicContact CB-CB 4.27Å; F337-C342 HydrophobicContact CD1-CB 3.93Å; F337-C342 HydrophobicContact CD2-CB 3.38Å; F337-C342 WeakPolarHBondContact CD2-O 3.4Å; F337-C342 HydrophobicContact CE1-CB 4.06Å; F337-C342 HydrophobicContact CE2-CB 3.52Å; F337-C342 HydrophobicContact CG-CB 3.6Å; F337-C342 HydrophobicContact CZ-CB 3.87Å; L340-C342 HydrophobicContact CB-CB 4.48Å; L340-C342 PolarHBondContact O-N 3.01Å; C342-F456 HydrophobicContact CB-CE2 4.26Å; C342-F456 VanDerWaalsContact SG-CZ 3.56Å; C342-F457 WeakPolarHBondContact CA-O 3.06Å; C342-W458 VanDerWaalsContact SG-CD1 3.54Å
343	V	90.1	Very high	82	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	145.4	168.1	58	0	0	0	0	108.7	L285 A286 A290 L294 F296 F457	L285-V343 HydrophobicContact CB-CG2 4.21Å; L285-V343 HydrophobicContact CD2-CG1 3.95Å; L285-V343 HydrophobicContact CD2-CG2 4.41Å; A286-V343 WeakPolarHBondContact O-CG2 3.48Å; A290-V343 HydrophobicContact CB-CB 4.09Å; A290-V343 HydrophobicContact CB-CG2 3.84Å; L294-V343 HydrophobicContact CD1-CB 3.95Å; L294-V343 HydrophobicContact CD1-CG1 4.05Å; F296-V343 HydrophobicContact CE1-CG1 4.38Å; F296-V343 HydrophobicContact CE1-CG2 4.04Å; F296-V343 HydrophobicContact CZ-CB 4.33Å; F296-V343 HydrophobicContact CZ-CG2 3.97Å; V343-F457 HydrophobicContact CG1-CB 3.93Å; V343-F457 HydrophobicContact CG1-CD2 4.34Å; V343-F457 PolarHBondContact N-O 3.33Å; V343-F457 WeakPolarHBondContact O-CD2 3.47Å; V343-F457 PolarHBondContact O-N 3.38Å; V343-F457 VanDerWaalsContact O-N 3.11Å
344	L	92.4	Very high	84.2	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	161.5	176	-56.7	-171.1	0	0	0	111.7	A286 T289 F337 C371 V375 M376 P455 F456	A286-L344 WeakPolarHBondContact CB-O 3.49Å; A286-L344 PolarHBondContact N-O 2.79Å; T289-L344 HydrophobicContact CG2-CB 4.28Å; T289-L344 HydrophobicContact CG2-CD1 4.44Å; T289-L344 HydrophobicContact CG2-CG 4.45Å; T289-L344 PolarHBondContact OG1-N 3.09Å; F337-L344 HydrophobicContact CE2-CD2 3.73Å; F337-L344 HydrophobicContact CE2-CG 3.8Å; F337-L344 HydrophobicContact CZ-CD2 3.85Å; F337-L344 HydrophobicContact CZ-CG 4.23Å; L344-C371 WeakPolarHBondContact CD2-SG 3.43Å; L344-V375 HydrophobicContact CD1-CG1 4.17Å; L344-V375 HydrophobicContact CD2-CG1 4.28Å; L344-M376 HydrophobicContact CD1-CE 4.01Å; L344-M376 HydrophobicContact CD1-CG 4.4Å; L344-M376 HydrophobicContact CD1-SD 4.26Å; L344-P455 CarbonylContact C-O 2.97Å; L344-P455 WeakPolarHBondContact CA-O 3.18Å; L344-F456 HydrophobicContact CD2-CD2 3.94Å
345	G	92.3	Very high	86	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	151.3	163.5	0	0	0	0	0	112.1	N284 N347 R454 P455	N284-G345 CarbonylContact O-C 3.58Å; N284-G345 WeakPolarHBondContact O-CA 3.48Å; G345-N347 VanDerWaalsContact C-N 3.28Å; G345-R454 PolarHBondContact O-NH1 3.4Å; G345-R454 VanDerWaalsContact O-NH1 3.07Å; G345-P455 PolarHBondContact N-O 3.22Å
346	K	90.8	Very high	87.5	Confident	117 Å²	117	46.5 Å²	46.5	51%	0.509	24%	0.238	S	C	.	.	S	Bend	trans	-67.7	-30.4	170.7	-70.6	-177.3	174.9	168.5	0	112	N284 L285 A286	N284-K346 HydrophobicContact CB-CD 4.1Å; N284-K346 PolarHBondContact O-N 3.21Å; L285-K346 WeakPolarHBondContact O-CE 2.91Å; A286-K346 HydrophobicContact CB-CG 3.79Å
347	N	92.7	Very high	88.5	Confident	43 Å²	43	40.9 Å²	40.9	23%	0.23	22%	0.217	C	C	.	.			trans	-68.6	133.5	-177.5	-55.2	63.8	0	0	0	110.7	A282 G345 F349 P455	A282-N347 PolarHBondContact O-ND2 2.88Å; A282-N347 PolarHBondContact O-OD1 3.48Å; G345-N347 VanDerWaalsContact C-N 3.28Å; N347-F349 HydrophobicContact CB-CE1 3.99Å; N347-F349 HydrophobicContact CB-CE2 4.19Å; N347-F349 HydrophobicContact CB-CZ 3.7Å; N347-P455 HydrophobicContact CB-CG 4.48Å; N347-P455 VanDerWaalsContact O-CD 3.23Å; N347-P455 WeakPolarHBondContact O-CD 3.38Å
348	V	93.8	Very high	89.4	Confident	43 Å²	43	39.8 Å²	39.8	26%	0.261	21%	0.212	S	C	.	.			trans	-114.4	117.9	169.8	-172	0	0	0	0	108.3	E373 R452 R454	V348-E373 WeakPolarHBondContact CG2-OE1 3.49Å; V348-R452 HydrophobicContact CG1-CB 4.13Å; V348-R454 HydrophobicContact CG2-CG 4.1Å; V348-R454 VanDerWaalsContact CG2-CZ 3.49Å; V348-R454 VanDerWaalsContact CG2-NH2 3.33Å
349	F	93.9	Very high	90.6	Very high	9 Å²	9	35.6 Å²	35.6	4%	0.039	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-96.8	126.5	179.7	-55.8	-62.3	0	0	0	109.6	V281 N347 H354 W356 L424 R426 L453 P455	V281-F349 HydrophobicContact CG2-CE1 4.23Å; V281-F349 HydrophobicContact CG2-CZ 4.04Å; N347-F349 HydrophobicContact CB-CE1 3.99Å; N347-F349 HydrophobicContact CB-CE2 4.19Å; N347-F349 HydrophobicContact CB-CZ 3.7Å; F349-H354 HydrophobicContact CD1-CB 4.17Å; F349-H354 AromaticContact CD1-CD2 3.48Å; F349-H354 VanDerWaalsContact CD1-CD2 3.48Å; F349-H354 WeakPolarHBondContact CD1-CD2 3.37Å; F349-H354 AromaticContact CD1-CE1 3.63Å; F349-H354 AromaticContact CD1-CG 3.44Å; F349-H354 VanDerWaalsContact CD1-CG 3.44Å; F349-H354 AromaticContact CD1-ND1 3.53Å; F349-H354 AromaticContact CD1-NE2 3.59Å; F349-H354 HydrophobicContact CE1-CB 3.9Å; F349-H354 AromaticContact CE1-CE1 3.97Å; F349-H354 AromaticContact CE1-CG 3.5Å; F349-H354 AromaticContact CE1-ND1 3.45Å; F349-H354 WeakPolarHBondContact CE1-ND1 3.26Å; F349-H354 AromaticContact CG-CD2 3.93Å; F349-H354 HydrophobicContact CZ-CB 4.17Å; F349-W356 HydrophobicContact CD2-CZ3 4.46Å; F349-W356 HydrophobicContact CE2-CE3 4.34Å; F349-W356 AromaticContact CE2-CH2 3.89Å; F349-W356 HydrophobicContact CE2-CH2 3.89Å; F349-W356 AromaticContact CE2-CZ3 3.65Å; F349-W356 HydrophobicContact CE2-CZ3 3.65Å; F349-W356 HydrophobicContact CZ-CE3 4.34Å; F349-W356 HydrophobicContact CZ-CZ3 4.02Å; F349-L424 HydrophobicContact CB-CD2 3.61Å; F349-L424 HydrophobicContact CD2-CD2 3.6Å; F349-L424 HydrophobicContact CE2-CD2 4.47Å; F349-L424 HydrophobicContact CG-CD2 3.81Å; F349-R426 PolarHBondContact O-NH1 3.48Å; F349-L453 PolarHBondContact N-O 3.33Å; F349-L453 PolarHBondContact O-N 2.84Å; F349-L453 VanDerWaalsContact O-N 3.09Å; F349-P455 HydrophobicContact CE2-CG 3.78Å; F349-P455 HydrophobicContact CZ-CG 4.41Å
350	T	92.1	Very high	91.5	Very high	74 Å²	74	29.5 Å²	29.5	45%	0.454	16%	0.164	S	C	.	.			trans	-118.5	-27	177.4	55.4	0	0	0	0	113.1	R426 R452	T350-R426 VanDerWaalsContact CA-NH1 3.25Å; T350-R426 PolarHBondContact O-NH1 3.2Å; T350-R426 PolarHBondContact O-NH2 3.37Å; T350-R452 HydrophobicContact CG2-CG 4.08Å
351	S	92.4	Very high	92	Very high	80 Å²	80	35.1 Å²	35.1	56%	0.559	18%	0.183	S	C	*	.	S	Bend	trans	-155.3	170.3	-178.3	61	0	0	0	0	110.6	H354	S351-H354 PolarHBondContact O-NE2 2.72Å
352	G	93.1	Very high	91.8	Very high	41 Å²	41	37.5 Å²	37.5	42%	0.423	20%	0.196	S	C	.	.	S	Bend	trans	82	-169.7	176.3	0	0	0	0	0	114.9	R426	G352-R426 WeakPolarHBondContact O-CB 3.38Å; G352-R426 PolarHBondContact O-N 2.87Å
353	K	95.7	Very high	91.1	Very high	94 Å²	94	41.8 Å²	41.8	41%	0.409	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.6	-179.1	-69	170.9	170.1	-165.5	0	108.8	F279 Y423 L424 D425	F279-K353 HydrophobicContact CB-CB 4.42Å; F279-K353 HydrophobicContact CD1-CB 3.53Å; F279-K353 HydrophobicContact CD1-CD 4.29Å; F279-K353 HydrophobicContact CE1-CB 3.88Å; F279-K353 HydrophobicContact CE1-CD 3.77Å; F279-K353 HydrophobicContact CE1-CG 4.47Å; F279-K353 HydrophobicContact CE2-CD 4.46Å; F279-K353 HydrophobicContact CG-CB 3.92Å; F279-K353 HydrophobicContact CZ-CD 3.87Å; K353-Y423 HydrophobicContact CB-CE2 4.16Å; K353-Y423 WeakPolarHBondContact CD-OH 3.21Å; K353-Y423 WeakPolarHBondContact CE-OH 3.3Å; K353-Y423 WeakPolarHBondContact CG-OH 3.47Å; K353-L424 CarbonylContact C-O 3.54Å; K353-L424 WeakPolarHBondContact CA-O 3.33Å; K353-D425 VanDerWaalsContact CE-OD2 3.26Å; K353-D425 WeakPolarHBondContact CE-OD2 3.42Å; K353-D425 HydrophobicContact CG-CB 4.4Å; K353-D425 IonicContact NZ-OD2 3.28Å
354	H	95.8	Very high	90.8	Very high	33 Å²	33	44.8 Å²	44.8	15%	0.153	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.7	-174.4	-55.2	-80.9	0	0	0	110.2	F279 V281 F349 S351 W356 Y423 L424	F279-H354 CarbonylContact O-C 3.56Å; V281-H354 HydrophobicContact CG1-CB 4.45Å; V281-H354 HydrophobicContact CG2-CB 4.12Å; F349-H354 HydrophobicContact CD1-CB 4.17Å; F349-H354 AromaticContact CD1-CD2 3.48Å; F349-H354 VanDerWaalsContact CD1-CD2 3.48Å; F349-H354 WeakPolarHBondContact CD1-CD2 3.37Å; F349-H354 AromaticContact CD1-CE1 3.63Å; F349-H354 AromaticContact CD1-CG 3.44Å; F349-H354 VanDerWaalsContact CD1-CG 3.44Å; F349-H354 AromaticContact CD1-ND1 3.53Å; F349-H354 AromaticContact CD1-NE2 3.59Å; F349-H354 HydrophobicContact CE1-CB 3.9Å; F349-H354 AromaticContact CE1-CE1 3.97Å; F349-H354 AromaticContact CE1-CG 3.5Å; F349-H354 AromaticContact CE1-ND1 3.45Å; F349-H354 WeakPolarHBondContact CE1-ND1 3.26Å; F349-H354 AromaticContact CG-CD2 3.93Å; F349-H354 HydrophobicContact CZ-CB 4.17Å; S351-H354 PolarHBondContact O-NE2 2.72Å; H354-W356 HydrophobicContact CB-CZ3 4.27Å; H354-Y423 CarbonylContact O-C 3.5Å; H354-Y423 WeakPolarHBondContact O-CA 3.38Å; H354-L424 HydrophobicContact CB-CB 4.46Å; H354-L424 PolarHBondContact N-O 3.33Å; H354-L424 PolarHBondContact O-N 3.48Å
355	Y	96.5	Very high	90.4	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.4	178.4	178.1	-107.1	0	0	0	110.6	L276 K277 F279 Q280 V281 E357 V422	L276-Y355 HydrophobicContact CB-CD1 4.28Å; L276-Y355 HydrophobicContact CB-CD2 3.88Å; L276-Y355 HydrophobicContact CB-CE1 4.25Å; L276-Y355 HydrophobicContact CB-CE2 3.83Å; L276-Y355 HydrophobicContact CB-CG 4.1Å; L276-Y355 HydrophobicContact CD1-CE2 3.98Å; L276-Y355 HydrophobicContact CD2-CD2 4.27Å; L276-Y355 HydrophobicContact CG-CD2 4.45Å; L276-Y355 HydrophobicContact CG-CE2 4.34Å; L276-Y355 VanDerWaalsContact O-CB 3.32Å; L276-Y355 WeakPolarHBondContact O-CB 3.35Å; L276-Y355 WeakPolarHBondContact O-CD1 3.24Å; K277-Y355 HydrophobicContact CG-CE1 4.18Å; F279-Y355 PolarHBondContact O-N 2.88Å; Q280-Y355 CarbonylContact C-O 3.54Å; Q280-Y355 VanDerWaalsContact CA-O 3.23Å; Q280-Y355 WeakPolarHBondContact CA-O 3.45Å; Q280-Y355 HydrophobicContact CB-CD1 4.27Å; Q280-Y355 HydrophobicContact CG-CD1 4.25Å; V281-Y355 WeakPolarHBondContact CG2-O 3.45Å; V281-Y355 PolarHBondContact N-O 2.67Å; Y355-E357 HydrophobicContact CE1-CG 3.67Å; Y355-E357 WeakPolarHBondContact CE1-OE1 3.05Å; Y355-E357 VanDerWaalsContact OH-CG 3.26Å; Y355-E357 WeakPolarHBondContact OH-CG 2.97Å; Y355-E357 PolarHBondContact OH-OE1 3.35Å; Y355-V422 VanDerWaalsContact CA-O 3.28Å; Y355-V422 WeakPolarHBondContact CA-O 3.39Å; Y355-V422 WeakPolarHBondContact CD2-O 3.35Å
356	W	95.8	Very high	90.3	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	153.9	168.8	63.2	96.9	0	0	0	110.4	V281 V283 F349 H354 V370 G421 V422 L424 P455	V281-W356 HydrophobicContact CG2-CE3 4.21Å; V283-W356 HydrophobicContact CB-CB 4.5Å; V283-W356 HydrophobicContact CB-CG 4.39Å; V283-W356 HydrophobicContact CG2-CB 3.72Å; V283-W356 HydrophobicContact CG2-CD2 3.82Å; V283-W356 HydrophobicContact CG2-CE3 4.23Å; V283-W356 HydrophobicContact CG2-CG 3.58Å; F349-W356 HydrophobicContact CD2-CZ3 4.46Å; F349-W356 HydrophobicContact CE2-CE3 4.34Å; F349-W356 AromaticContact CE2-CH2 3.89Å; F349-W356 HydrophobicContact CE2-CH2 3.89Å; F349-W356 AromaticContact CE2-CZ3 3.65Å; F349-W356 HydrophobicContact CE2-CZ3 3.65Å; F349-W356 HydrophobicContact CZ-CE3 4.34Å; F349-W356 HydrophobicContact CZ-CZ3 4.02Å; H354-W356 HydrophobicContact CB-CZ3 4.27Å; W356-V370 HydrophobicContact CH2-CG1 3.5Å; W356-V370 HydrophobicContact CZ2-CG1 3.86Å; W356-G421 WeakPolarHBondContact O-CA 3.04Å; W356-V422 HydrophobicContact CD2-CB 4.09Å; W356-V422 HydrophobicContact CH2-CB 4.19Å; W356-V422 HydrophobicContact CH2-CG1 3.67Å; W356-V422 HydrophobicContact CZ2-CB 3.7Å; W356-V422 HydrophobicContact CZ2-CG1 3.44Å; W356-V422 VanDerWaalsContact CZ2-CG1 3.44Å; W356-V422 HydrophobicContact CZ2-CG2 4.3Å; W356-V422 HydrophobicContact CZ3-CG1 4.36Å; W356-V422 PolarHBondContact N-O 3.27Å; W356-V422 PolarHBondContact O-N 2.92Å; W356-L424 HydrophobicContact CH2-CB 4.44Å; W356-L424 HydrophobicContact CZ3-CB 4.25Å; W356-P455 HydrophobicContact CZ2-CB 4.06Å; W356-P455 HydrophobicContact CZ2-CG 4.22Å
357	E	95	Very high	90.3	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.028	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	150	178.7	-67.6	-178.7	-171.7	0	0	109.9	K277 Y355 R419 V420 A436 P468	K277-E357 WeakPolarHBondContact CE-OE1 3.14Å; Y355-E357 HydrophobicContact CE1-CG 3.67Å; Y355-E357 WeakPolarHBondContact CE1-OE1 3.05Å; Y355-E357 VanDerWaalsContact OH-CG 3.26Å; Y355-E357 WeakPolarHBondContact OH-CG 2.97Å; Y355-E357 PolarHBondContact OH-OE1 3.35Å; E357-R419 HydrophobicContact CB-CG 4.32Å; E357-R419 WeakPolarHBondContact OE2-CD 3.35Å; E357-R419 IonicContact OE2-NH1 3.7Å; E357-R419 PolarHBondContact OE2-NH1 3.45Å; E357-V420 CarbonylContact C-O 3.54Å; E357-V420 WeakPolarHBondContact CA-O 3.18Å; E357-A436 HydrophobicContact CG-CB 3.96Å; E357-P468 HydrophobicContact CB-CG 4.29Å; E357-P468 WeakPolarHBondContact O-CD 3.49Å
358	V	93.8	Very high	90.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	123.9	177.4	-171.5	0	0	0	0	109	V368 W395 R419 V420 F457 L465	V358-V368 HydrophobicContact CB-CG1 4.21Å; V358-V368 HydrophobicContact CG1-CG1 3.78Å; V358-V368 HydrophobicContact CG2-CB 4.45Å; V358-V368 HydrophobicContact CG2-CG1 4.34Å; V358-W395 HydrophobicContact CG1-CH2 4.49Å; V358-R419 CarbonylContact O-C 3.53Å; V358-R419 VanDerWaalsContact O-CA 3.32Å; V358-R419 WeakPolarHBondContact O-CA 3.49Å; V358-R419 WeakPolarHBondContact O-CG 3.11Å; V358-V420 PolarHBondContact N-O 2.7Å; V358-V420 PolarHBondContact O-N 3.32Å; V358-F457 HydrophobicContact CG1-CE1 4.48Å; V358-F457 HydrophobicContact CG2-CE1 3.87Å; V358-L465 HydrophobicContact CG1-CD1 3.4Å; V358-L465 HydrophobicContact CG1-CD2 3.39Å; V358-L465 HydrophobicContact CG1-CG 3.3Å
359	E	92.1	Very high	90.4	Very high	33 Å²	33	36.7 Å²	36.7	15%	0.154	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.2	-178.4	-173.9	178.3	137.3	0	0	110.5	R361 H418 R419 L465 V466 P468	E359-R361 IonicContact OE1-CZ 2.65Å; E359-R361 IonicContact OE1-NE 3.03Å; E359-R361 IonicContact OE1-NH1 3.47Å; E359-R361 PolarHBondContact OE1-NH1 3.33Å; E359-H418 WeakPolarHBondContact CA-O 3.2Å; E359-R419 HydrophobicContact CB-CG 4.14Å; E359-R419 IonicContact OE2-CZ 2.63Å; E359-R419 VanDerWaalsContact OE2-CZ 3.3Å; E359-R419 IonicContact OE2-NE 2.67Å; E359-R419 PolarHBondContact OE2-NE 3.07Å; E359-R419 VanDerWaalsContact OE2-NE 3.15Å; E359-R419 IonicContact OE2-NH2 3.53Å; E359-R419 PolarHBondContact OE2-NH2 2.62Å; E359-L465 WeakPolarHBondContact O-CA 3.3Å; E359-V466 PolarHBondContact N-O 3.34Å; E359-V466 PolarHBondContact O-N 3.35Å; E359-P468 HydrophobicContact CB-CG 4.37Å
360	R	88.3	Confident	90.5	Very high	9 Å²	9	36.2 Å²	36.2	3%	0.034	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	127.5	172.5	-173	-171.8	60.9	159.2	5.9	109.3	D362 S363 L364 V366 W395 H418	R360-D362 WeakPolarHBondContact CD-O 3.48Å; R360-D362 WeakPolarHBondContact CG-O 3.31Å; R360-D362 VanDerWaalsContact CZ-O 3.22Å; R360-D362 PolarHBondContact NE-O 2.85Å; R360-S363 PolarHBondContact NH1-O 3.4Å; R360-L364 WeakPolarHBondContact CD-O 3.29Å; R360-L364 PolarHBondContact NH1-O 2.93Å; R360-V366 HydrophobicContact CB-CG2 4.29Å; R360-V366 HydrophobicContact CG-CG1 4.34Å; R360-V366 HydrophobicContact CG-CG2 4.11Å; R360-W395 HydrophobicContact CB-CZ2 4.12Å; R360-H418 PolarHBondContact N-O 2.81Å
361	R	84.3	Confident	90.5	Very high	148 Å²	148	32.7 Å²	32.7	56%	0.558	18%	0.178	S	C	*	.			trans	-88.2	-29.6	178.9	-70.1	-65.6	-165.2	-171.1	9	113.6	E359 S464 V466	E359-R361 IonicContact OE1-CZ 2.65Å; E359-R361 IonicContact OE1-NE 3.03Å; E359-R361 IonicContact OE1-NH1 3.47Å; E359-R361 PolarHBondContact OE1-NH1 3.33Å; R361-S464 WeakPolarHBondContact CB-OG 3.23Å; R361-S464 PolarHBondContact N-O 3.22Å; R361-V466 HydrophobicContact CG-CG2 3.75Å
362	D	78.9	Confident	90.4	Very high	54 Å²	54	33.2 Å²	33.2	29%	0.289	17%	0.167	S	C	.	.	S	Bend	trans	-107.3	173.2	-177	-48.8	-40.5	0	0	0	111.3	R360 L364 S464	R360-D362 WeakPolarHBondContact CD-O 3.48Å; R360-D362 WeakPolarHBondContact CG-O 3.31Å; R360-D362 VanDerWaalsContact CZ-O 3.22Å; R360-D362 PolarHBondContact NE-O 2.85Å; D362-L364 HydrophobicContact CB-CB 4.49Å; D362-L364 HydrophobicContact CB-CD1 4.34Å; D362-L364 HydrophobicContact CB-CG 4.4Å; D362-L364 PolarHBondContact O-N 2.83Å; D362-S464 VanDerWaalsContact CG-OG 3.24Å; D362-S464 PolarHBondContact OD1-OG 3.27Å; D362-S464 VanDerWaalsContact OD2-CB 3.3Å; D362-S464 WeakPolarHBondContact OD2-CB 3.35Å; D362-S464 PolarHBondContact OD2-N 2.78Å; D362-S464 PolarHBondContact OD2-OG 3.32Å
363	S	74.1	Confident	90	Very high	89 Å²	89	33.9 Å²	33.9	62%	0.622	16%	0.159	S	C	*	.	S	Bend	trans	-83.9	6.2	175.8	53.4	0	0	0	0	114.2	R360	R360-S363 PolarHBondContact NH1-O 3.4Å
364	L	83.8	Confident	89.3	Confident	63 Å²	63	33.5 Å²	33.5	33%	0.33	16%	0.162	S	C	.	.	S	Bend	trans	-84.8	172	-172.3	-64.1	169.1	0	0	0	113.2	R360 D362 L462 A463	R360-L364 WeakPolarHBondContact CD-O 3.29Å; R360-L364 PolarHBondContact NH1-O 2.93Å; D362-L364 HydrophobicContact CB-CB 4.49Å; D362-L364 HydrophobicContact CB-CD1 4.34Å; D362-L364 HydrophobicContact CB-CG 4.4Å; D362-L364 PolarHBondContact O-N 2.83Å; L364-L462 VanDerWaalsContact CD1-C 3.41Å; L364-L462 HydrophobicContact CD1-CB 3.71Å; L364-A463 HydrophobicContact CB-CB 3.69Å; L364-A463 HydrophobicContact CD1-CB 4.27Å
365	E	84.4	Confident	88.4	Confident	34 Å²	34	32.5 Å²	32.5	16%	0.159	16%	0.158	C	C	.	.			trans	-83.4	134.5	-172.7	-55.7	173.8	139.2	0	0	111	V314 F315 W458 S460	V314-E365 WeakPolarHBondContact CG1-OE1 3.19Å; V314-E365 WeakPolarHBondContact CG1-OE2 2.99Å; F315-E365 WeakPolarHBondContact CB-OE2 3.42Å; F315-E365 PolarHBondContact N-OE2 3.21Å; E365-W458 HydrophobicContact CB-CZ3 4.17Å; E365-S460 PolarHBondContact N-OG 3.35Å; E365-S460 VanDerWaalsContact O-CB 3.24Å; E365-S460 WeakPolarHBondContact O-CB 3.41Å; E365-S460 PolarHBondContact O-N 2.83Å; E365-S460 PolarHBondContact O-OG 2.79Å
366	V	89.9	Confident	87.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.9	174.8	-64.3	0	0	0	0	109.6	R360 Y394 W395 W458 A463 L465	R360-V366 HydrophobicContact CB-CG2 4.29Å; R360-V366 HydrophobicContact CG-CG1 4.34Å; R360-V366 HydrophobicContact CG-CG2 4.11Å; V366-Y394 CarbonylContact O-C 3.56Å; V366-Y394 WeakPolarHBondContact O-CA 3.26Å; V366-Y394 WeakPolarHBondContact O-CB 3.47Å; V366-W395 HydrophobicContact CG2-CD2 3.79Å; V366-W395 VanDerWaalsContact CG2-CE2 3.49Å; V366-W395 HydrophobicContact CG2-CE3 3.92Å; V366-W395 HydrophobicContact CG2-CH2 3.54Å; V366-W395 HydrophobicContact CG2-CZ2 3.4Å; V366-W395 VanDerWaalsContact CG2-CZ2 3.4Å; V366-W395 HydrophobicContact CG2-CZ3 3.78Å; V366-W395 PolarHBondContact N-O 2.96Å; V366-W395 PolarHBondContact O-N 3.49Å; V366-W458 WeakPolarHBondContact CA-O 3.13Å; V366-A463 HydrophobicContact CG1-CB 4.02Å; V366-L465 HydrophobicContact CB-CD1 4.34Å; V366-L465 HydrophobicContact CG1-CD1 4.49Å
367	A	90.3	Very high	85.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137	172.1	0	0	0	0	0	111.1	I393 F457 W458	A367-I393 CarbonylContact C-O 3.59Å; A367-I393 VanDerWaalsContact CA-O 3.23Å; A367-I393 WeakPolarHBondContact CA-O 3.48Å; A367-F457 WeakPolarHBondContact O-CA 3.4Å; A367-W458 HydrophobicContact CB-CB 4.1Å; A367-W458 HydrophobicContact CB-CE3 4.14Å; A367-W458 PolarHBondContact N-O 3.18Å; A367-W458 PolarHBondContact O-N 3.4Å
368	V	94.3	Very high	83.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	148.3	-178.1	-52.4	0	0	0	0	111.3	V358 A392 I393 W395 V420 V422 F433 F456 F457 L465	V358-V368 HydrophobicContact CB-CG1 4.21Å; V358-V368 HydrophobicContact CG1-CG1 3.78Å; V358-V368 HydrophobicContact CG2-CB 4.45Å; V358-V368 HydrophobicContact CG2-CG1 4.34Å; V368-A392 VanDerWaalsContact C-CB 3.44Å; V368-A392 CarbonylContact O-C 3.54Å; V368-A392 WeakPolarHBondContact O-CA 3.35Å; V368-A392 WeakPolarHBondContact O-CB 3.47Å; V368-I393 PolarHBondContact N-O 3.24Å; V368-I393 PolarHBondContact O-N 3.43Å; V368-W395 HydrophobicContact CB-CH2 4.23Å; V368-W395 HydrophobicContact CB-CZ3 3.99Å; V368-W395 HydrophobicContact CG1-CH2 3.5Å; V368-W395 HydrophobicContact CG1-CZ3 3.6Å; V368-W395 HydrophobicContact CG2-CH2 3.74Å; V368-W395 HydrophobicContact CG2-CZ3 3.42Å; V368-W395 VanDerWaalsContact CG2-CZ3 3.42Å; V368-V420 HydrophobicContact CG2-CB 4.44Å; V368-V420 HydrophobicContact CG2-CG1 4.06Å; V368-V422 HydrophobicContact CG2-CG2 3.97Å; V368-F433 VanDerWaalsContact O-CE1 3.26Å; V368-F433 WeakPolarHBondContact O-CE1 3.25Å; V368-F456 WeakPolarHBondContact CA-O 3.37Å; V368-F457 HydrophobicContact CB-CD1 4.49Å; V368-F457 HydrophobicContact CG1-CD1 4.06Å; V368-L465 HydrophobicContact CG1-CD1 3.73Å
369	G	94.9	Very high	81.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.6	-136.3	173.6	0	0	0	0	0	112	W391 P455 F456	G369-W391 CarbonylContact C-O 3.56Å; G369-W391 WeakPolarHBondContact CA-O 3.49Å; G369-P455 WeakPolarHBondContact O-CA 3.47Å; G369-F456 PolarHBondContact N-O 3.33Å; G369-F456 PolarHBondContact O-N 3.06Å
370	V	95.1	Very high	79.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151.3	179.3	-62.5	0	0	0	0	111	W356 W391 L424 V431 L453 R454	W356-V370 HydrophobicContact CH2-CG1 3.5Å; W356-V370 HydrophobicContact CZ2-CG1 3.86Å; V370-W391 HydrophobicContact CG2-CB 4.01Å; V370-W391 HydrophobicContact CG2-CE3 4.17Å; V370-W391 PolarHBondContact N-O 3.01Å; V370-W391 PolarHBondContact O-N 3.03Å; V370-L424 HydrophobicContact CG1-CD2 4.47Å; V370-V431 HydrophobicContact CG1-CG2 4.34Å; V370-V431 HydrophobicContact CG2-CB 4.04Å; V370-V431 HydrophobicContact CG2-CG1 3.92Å; V370-V431 HydrophobicContact CG2-CG2 3.96Å; V370-L453 HydrophobicContact CG2-CD1 4.46Å; V370-L453 HydrophobicContact CG2-CD2 4.45Å; V370-R454 CarbonylContact C-O 3.55Å; V370-R454 VanDerWaalsContact CA-O 3.24Å; V370-R454 WeakPolarHBondContact CA-O 3.4Å
371	C	91.6	Very high	77.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	165.7	172.5	67.3	0	0	0	0	110.8	L344 V375 G389 I390 L453 R454 F456	L344-C371 WeakPolarHBondContact CD2-SG 3.43Å; C371-V375 HydrophobicContact CB-CB 4.24Å; C371-V375 HydrophobicContact CB-CG1 4.19Å; C371-V375 HydrophobicContact CB-CG2 4.25Å; C371-G389 CarbonylContact C-O 3.59Å; C371-G389 WeakPolarHBondContact CA-O 3.09Å; C371-I390 HydrophobicContact CB-CG1 4.03Å; C371-L453 CarbonylContact O-C 3.5Å; C371-L453 VanDerWaalsContact O-CA 3.29Å; C371-L453 WeakPolarHBondContact O-CA 3.26Å; C371-L453 WeakPolarHBondContact O-CD2 3.43Å; C371-R454 PolarHBondContact N-O 3.33Å; C371-R454 PolarHBondContact O-N 3.47Å; C371-F456 HydrophobicContact CB-CB 4.05Å; C371-F456 HydrophobicContact CB-CD2 4.15Å; C371-F456 HydrophobicContact CB-CG 4.34Å
372	R	90.1	Very high	76.3	Confident	91 Å²	91	51.3 Å²	51.3	34%	0.343	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	150.2	165.3	-66.4	172.7	59.1	154.8	-0.2	111	D374 V375 G389 W391 V450	R372-D374 VanDerWaalsContact C-N 3.3Å; R372-D374 WeakPolarHBondContact CB-OD1 3.41Å; R372-D374 IonicContact CZ-OD1 2.68Å; R372-D374 IonicContact CZ-OD2 3.44Å; R372-D374 IonicContact NE-OD1 3.3Å; R372-D374 PolarHBondContact NE-OD1 3.39Å; R372-D374 IonicContact NE-OD2 3.33Å; R372-D374 IonicContact NH2-OD1 3.31Å; R372-D374 PolarHBondContact NH2-OD1 3.21Å; R372-D374 IonicContact NH2-OD2 2.79Å; R372-D374 PolarHBondContact NH2-OD2 2.94Å; R372-D374 PolarHBondContact O-N 3.05Å; R372-V375 WeakPolarHBondContact O-CB 3.3Å; R372-V375 WeakPolarHBondContact O-CG1 3.38Å; R372-V375 PolarHBondContact O-N 3.37Å; R372-G389 PolarHBondContact N-O 3.35Å; R372-W391 HydrophobicContact CG-CH2 4.35Å; R372-W391 HydrophobicContact CG-CZ3 4.2Å; R372-V450 HydrophobicContact CB-CG1 4.42Å; R372-V450 HydrophobicContact CG-CB 4.38Å; R372-V450 HydrophobicContact CG-CG1 3.72Å; R372-V450 HydrophobicContact CG-CG2 3.74Å
373	E	85.2	Confident	75.6	Confident	55 Å²	55	51 Å²	51	26%	0.257	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-33.9	175.4	179.3	163.6	-135.8	0	0	112.9	V348 V375 R452 R454	V348-E373 WeakPolarHBondContact CG2-OE1 3.49Å; E373-V375 VanDerWaalsContact C-N 3.27Å; E373-V375 PolarHBondContact O-N 3.36Å; E373-R452 HydrophobicContact CB-CB 4.23Å; E373-R452 PolarHBondContact N-O 3.08Å; E373-R452 IonicContact OE1-NH2 3.15Å; E373-R452 IonicContact OE2-CZ 2.75Å; E373-R452 VanDerWaalsContact OE2-CZ 3.28Å; E373-R452 IonicContact OE2-NE 3.65Å; E373-R452 PolarHBondContact OE2-NE 3.43Å; E373-R452 IonicContact OE2-NH2 3.12Å; E373-R452 PolarHBondContact OE2-NH2 2.93Å; E373-R454 HydrophobicContact CB-CG 4.44Å; E373-R454 IonicContact OE1-CZ 2.71Å; E373-R454 IonicContact OE1-NE 3.71Å; E373-R454 PolarHBondContact OE1-NE 3.16Å; E373-R454 VanDerWaalsContact OE1-NE 3.15Å; E373-R454 IonicContact OE1-NH2 3.96Å; E373-R454 PolarHBondContact OE1-NH2 3Å
374	D	80.3	Confident	75.5	Confident	86 Å²	86	47.7 Å²	47.7	46%	0.46	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	11.7	-179.3	61.9	-16.5	0	0	0	113.9	R372 M376 G377	R372-D374 VanDerWaalsContact C-N 3.3Å; R372-D374 WeakPolarHBondContact CB-OD1 3.41Å; R372-D374 IonicContact CZ-OD1 2.68Å; R372-D374 IonicContact CZ-OD2 3.44Å; R372-D374 IonicContact NE-OD1 3.3Å; R372-D374 PolarHBondContact NE-OD1 3.39Å; R372-D374 IonicContact NE-OD2 3.33Å; R372-D374 IonicContact NH2-OD1 3.31Å; R372-D374 PolarHBondContact NH2-OD1 3.21Å; R372-D374 IonicContact NH2-OD2 2.79Å; R372-D374 PolarHBondContact NH2-OD2 2.94Å; R372-D374 PolarHBondContact O-N 3.05Å; D374-M376 PolarHBondContact O-N 3.03Å; D374-M376 VanDerWaalsContact O-N 3.1Å; D374-G377 PolarHBondContact O-N 3.13Å
375	V	78.9	Confident	75.4	Confident	12 Å²	12	44.9 Å²	44.9	7%	0.073	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-56.5	-31.8	-174.3	73.4	0	0	0	0	113.6	F337 L344 C371 R372 E373 G377 I378 I390	F337-V375 HydrophobicContact CZ-CG1 4.15Å; L344-V375 HydrophobicContact CD1-CG1 4.17Å; L344-V375 HydrophobicContact CD2-CG1 4.28Å; C371-V375 HydrophobicContact CB-CB 4.24Å; C371-V375 HydrophobicContact CB-CG1 4.19Å; C371-V375 HydrophobicContact CB-CG2 4.25Å; R372-V375 WeakPolarHBondContact O-CB 3.3Å; R372-V375 WeakPolarHBondContact O-CG1 3.38Å; R372-V375 PolarHBondContact O-N 3.37Å; E373-V375 VanDerWaalsContact C-N 3.27Å; E373-V375 PolarHBondContact O-N 3.36Å; V375-G377 PolarHBondContact O-N 3.07Å; V375-I378 HydrophobicContact CG2-CD1 4.3Å; V375-I378 WeakPolarHBondContact O-CB 3.48Å; V375-I378 PolarHBondContact O-N 3.46Å; V375-I390 HydrophobicContact CG2-CD1 3.78Å; V375-I390 HydrophobicContact CG2-CG1 3.68Å
376	M	70.7	Confident	75.5	Confident	37 Å²	37	45 Å²	45	18%	0.182	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-71.2	-17.7	179.9	-65.3	-176.7	-68.4	0	0	113.3	T289 F337 L344 D374	T289-M376 HydrophobicContact CG2-CE 3.81Å; T289-M376 HydrophobicContact CG2-SD 4.07Å; F337-M376 HydrophobicContact CD1-CG 4.3Å; F337-M376 HydrophobicContact CD2-CG 4.5Å; F337-M376 HydrophobicContact CD2-SD 4.36Å; F337-M376 HydrophobicContact CE1-CG 3.82Å; F337-M376 HydrophobicContact CE2-CG 4.05Å; F337-M376 HydrophobicContact CE2-SD 4.17Å; F337-M376 HydrophobicContact CZ-CG 3.67Å; F337-M376 HydrophobicContact CZ-SD 4.4Å; L344-M376 HydrophobicContact CD1-CE 4.01Å; L344-M376 HydrophobicContact CD1-CG 4.4Å; L344-M376 HydrophobicContact CD1-SD 4.26Å; D374-M376 PolarHBondContact O-N 3.03Å; D374-M376 VanDerWaalsContact O-N 3.1Å
377	G	59.1	Low	75.1	Confident	56 Å²	56	51.9 Å²	51.9	58%	0.577	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-88.8	-4.1	175.8	0	0	0	0	0	114.1	D374 V375 T379	D374-G377 PolarHBondContact O-N 3.13Å; V375-G377 PolarHBondContact O-N 3.07Å; G377-T379 PolarHBondContact O-N 3.48Å
378	I	59.3	Low	74.6	Confident	63 Å²	63	52.6 Å²	52.6	32%	0.323	29%	0.285	S	S	.	.			trans	-78.6	112.5	-179.8	-57.3	177.7	0	0	0	108.3	V375 D380 V388	V375-I378 HydrophobicContact CG2-CD1 4.3Å; V375-I378 WeakPolarHBondContact O-CB 3.48Å; V375-I378 PolarHBondContact O-N 3.46Å; I378-D380 HydrophobicContact CG2-CB 4.34Å; I378-V388 WeakPolarHBondContact CD1-O 3.22Å
379	T	50.6	Low	74.3	Confident	140 Å²	140	52.7 Å²	52.7	86%	0.859	29%	0.286	S	S	*	.			trans	-100	1.7	-177.5	49.4	0	0	0	0	113.2	G377	G377-T379 PolarHBondContact O-N 3.48Å
380	D	48.6	Very low	74	Confident	106 Å²	106	53.3 Å²	53.3	57%	0.567	29%	0.289	S	S	*	.	S	Bend	trans	-74.5	149.1	-178.3	-170.5	23.1	0	0	0	111.7	I378 S382	I378-D380 HydrophobicContact CG2-CB 4.34Å; D380-S382 WeakPolarHBondContact CB-OG 3.31Å; D380-S382 PolarHBondContact O-N 2.79Å; D380-S382 PolarHBondContact OD2-OG 3.21Å
381	R	47.5	Very low	73.9	Confident	160 Å²	160	53.7 Å²	53.7	60%	0.604	29%	0.291	S	S	*	.			trans	-76.1	30.7	-175.9	-70.1	-179.7	161.9	-163.7	-10.5	113
382	S	54.2	Low	73.9	Confident	32 Å²	32	53.7 Å²	53.7	22%	0.224	29%	0.291	C	S	.	.			trans	-99.1	135.9	-169.2	17.1	0	0	0	0	110.8	D380 V388	D380-S382 WeakPolarHBondContact CB-OG 3.31Å; D380-S382 PolarHBondContact O-N 2.79Å; D380-S382 PolarHBondContact OD2-OG 3.21Å; S382-V388 VanDerWaalsContact OG-CG1 3.23Å; S382-V388 WeakPolarHBondContact OG-CG1 3.3Å
383	T	63.8	Low	73.9	Confident	46 Å²	46	49.4 Å²	49.4	28%	0.282	27%	0.274	S	S	.	.			trans	-50.1	148.1	175.9	-52	0	0	0	0	110.9	W319 S385 V388	W319-T383 HydrophobicContact CH2-CG2 4.22Å; W319-T383 HydrophobicContact CZ2-CG2 3.37Å; T383-S385 PolarHBondContact O-N 2.93Å; T383-V388 WeakPolarHBondContact O-CG2 3.42Å
384	M	73.9	Confident	74	Confident	21 Å²	21	48 Å²	48	10%	0.103	27%	0.267	C	S	.	.	S	Bend	trans	-57.6	105.8	168.7	-64.9	-172.8	-174.4	0	0	109.3	L340 I390 L403 F456 W458	L340-M384 HydrophobicContact CB-CE 4.22Å; L340-M384 HydrophobicContact CD1-CE 3.32Å; L340-M384 HydrophobicContact CD2-CE 4.07Å; L340-M384 HydrophobicContact CG-CE 4.05Å; M384-I390 HydrophobicContact CB-CD1 4.33Å; M384-I390 HydrophobicContact CG-CD1 4.09Å; M384-L403 HydrophobicContact CB-CD1 3.99Å; M384-F456 HydrophobicContact CE-CZ 3.96Å; M384-F456 HydrophobicContact SD-CE1 4.12Å; M384-F456 HydrophobicContact SD-CZ 3.75Å; M384-W458 HydrophobicContact CE-CG 4.2Å
385	S	80.9	Confident	74.3	Confident	3 Å²	3	44 Å²	44	2%	0.021	25%	0.245	C	C	.	.	S	Bend	trans	-152.6	166.5	-177.8	77.4	0	0	0	0	110.1	T383 D387 V388 G389 I390	T383-S385 PolarHBondContact O-N 2.93Å; S385-D387 PolarHBondContact O-N 2.89Å; S385-D387 VanDerWaalsContact O-N 3.1Å; S385-D387 WeakPolarHBondContact OG-CB 3.43Å; S385-D387 PolarHBondContact OG-N 3.41Å; S385-D387 VanDerWaalsContact OG-N 3.13Å; S385-D387 PolarHBondContact OG-OD2 3.3Å; S385-V388 WeakPolarHBondContact O-CG2 3.28Å; S385-V388 PolarHBondContact O-N 3.4Å; S385-G389 PolarHBondContact O-N 3Å; S385-I390 CarbonylContact C-O 3.55Å; S385-I390 PolarHBondContact O-N 3.39Å; S385-I390 VanDerWaalsContact O-O 3.06Å
386	P	86.2	Confident	74.4	Confident	37 Å²	37	43.9 Å²	43.9	24%	0.24	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-49.2	-30.1	167.8	-34.6	36.4	0	0	0	113.8	V388 G389 I390 L403 F445	P386-V388 VanDerWaalsContact C-N 3.34Å; P386-V388 PolarHBondContact O-N 3.49Å; P386-G389 WeakPolarHBondContact O-CA 3.44Å; P386-G389 PolarHBondContact O-N 3.44Å; P386-I390 WeakPolarHBondContact CA-O 3.44Å; P386-I390 WeakPolarHBondContact CD-O 3.29Å; P386-L403 WeakPolarHBondContact CD-O 3.41Å; P386-F445 HydrophobicContact CG-CD1 3.84Å; P386-F445 HydrophobicContact CG-CE1 3.85Å
387	D	82.4	Confident	74.7	Confident	144 Å²	144	45.4 Å²	45.4	77%	0.77	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-66.6	-35.7	-177.4	-47.7	-54	0	0	0	112.3	S385	S385-D387 PolarHBondContact O-N 2.89Å; S385-D387 VanDerWaalsContact O-N 3.1Å; S385-D387 WeakPolarHBondContact OG-CB 3.43Å; S385-D387 PolarHBondContact OG-N 3.41Å; S385-D387 VanDerWaalsContact OG-N 3.13Å; S385-D387 PolarHBondContact OG-OD2 3.3Å
388	V	79.4	Confident	75.4	Confident	15 Å²	15	45.5 Å²	45.5	9%	0.091	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-87.7	6.4	172.7	-61.8	0	0	0	0	112.4	I378 S382 T383 S385 P386 I390	I378-V388 WeakPolarHBondContact CD1-O 3.22Å; S382-V388 VanDerWaalsContact OG-CG1 3.23Å; S382-V388 WeakPolarHBondContact OG-CG1 3.3Å; T383-V388 WeakPolarHBondContact O-CG2 3.42Å; S385-V388 WeakPolarHBondContact O-CG2 3.28Å; S385-V388 PolarHBondContact O-N 3.4Å; P386-V388 VanDerWaalsContact C-N 3.34Å; P386-V388 PolarHBondContact O-N 3.49Å; V388-I390 HydrophobicContact CG2-CB 4.39Å; V388-I390 HydrophobicContact CG2-CD1 4.05Å; V388-I390 HydrophobicContact CG2-CG1 4.12Å
389	G	87.4	Confident	76.2	Confident	3 Å²	3	42.7 Å²	42.7	3%	0.031	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	35	-179.7	0	0	0	0	0	114	C371 R372 S385 P386 W391	C371-G389 CarbonylContact C-O 3.59Å; C371-G389 WeakPolarHBondContact CA-O 3.09Å; R372-G389 PolarHBondContact N-O 3.35Å; S385-G389 PolarHBondContact O-N 3Å; P386-G389 WeakPolarHBondContact O-CA 3.44Å; P386-G389 PolarHBondContact O-N 3.44Å; G389-W391 VanDerWaalsContact C-CZ3 3.43Å; G389-W391 VanDerWaalsContact CA-CH2 3.48Å; G389-W391 WeakPolarHBondContact O-CZ3 3.1Å
390	I	88.8	Confident	77.8	Confident	12 Å²	12	36.6 Å²	36.6	6%	0.062	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	116.8	170.6	-59.2	173.4	0	0	0	108.8	C371 V375 M384 S385 P386 V388 A392 L403 F456	C371-I390 HydrophobicContact CB-CG1 4.03Å; V375-I390 HydrophobicContact CG2-CD1 3.78Å; V375-I390 HydrophobicContact CG2-CG1 3.68Å; M384-I390 HydrophobicContact CB-CD1 4.33Å; M384-I390 HydrophobicContact CG-CD1 4.09Å; S385-I390 CarbonylContact C-O 3.55Å; S385-I390 PolarHBondContact O-N 3.39Å; S385-I390 VanDerWaalsContact O-O 3.06Å; P386-I390 WeakPolarHBondContact CA-O 3.44Å; P386-I390 WeakPolarHBondContact CD-O 3.29Å; V388-I390 HydrophobicContact CG2-CB 4.39Å; V388-I390 HydrophobicContact CG2-CD1 4.05Å; V388-I390 HydrophobicContact CG2-CG1 4.12Å; I390-A392 HydrophobicContact CG2-CB 4.32Å; I390-L403 HydrophobicContact CG2-CD1 4.33Å; I390-F456 HydrophobicContact CD1-CE2 4.29Å; I390-F456 HydrophobicContact CD1-CZ 4.4Å; I390-F456 HydrophobicContact CG2-CD1 3.96Å; I390-F456 HydrophobicContact CG2-CE1 3.93Å; I390-F456 HydrophobicContact CG2-CG 4.27Å; I390-F456 HydrophobicContact CG2-CZ 4.23Å
391	W	93	Very high	79.4	Confident	9 Å²	9	33 Å²	33	3%	0.034	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	98.6	176.4	-60.3	-85.1	0	0	0	108.7	G369 V370 R372 G389 V431 F445 A446 C447 V450 L453	G369-W391 CarbonylContact C-O 3.56Å; G369-W391 WeakPolarHBondContact CA-O 3.49Å; V370-W391 HydrophobicContact CG2-CB 4.01Å; V370-W391 HydrophobicContact CG2-CE3 4.17Å; V370-W391 PolarHBondContact N-O 3.01Å; V370-W391 PolarHBondContact O-N 3.03Å; R372-W391 HydrophobicContact CG-CH2 4.35Å; R372-W391 HydrophobicContact CG-CZ3 4.2Å; G389-W391 VanDerWaalsContact C-CZ3 3.43Å; G389-W391 VanDerWaalsContact CA-CH2 3.48Å; G389-W391 WeakPolarHBondContact O-CZ3 3.1Å; W391-V431 HydrophobicContact CB-CG1 3.67Å; W391-V431 HydrophobicContact CG-CG1 4.2Å; W391-F445 HydrophobicContact CB-CB 4.2Å; W391-F445 HydrophobicContact CB-CD2 3.78Å; W391-F445 HydrophobicContact CB-CE2 4.38Å; W391-F445 HydrophobicContact CB-CG 4.13Å; W391-F445 AromaticContact CD1-CG 3.65Å; W391-F445 HydrophobicContact CG-CB 4.04Å; W391-F445 HydrophobicContact CG-CD2 4.41Å; W391-F445 HydrophobicContact CG-CG 4.29Å; W391-A446 PolarHBondContact NE1-O 3.5Å; W391-A446 VanDerWaalsContact NE1-O 3.08Å; W391-C447 HydrophobicContact CD2-CB 3.78Å; W391-C447 HydrophobicContact CE3-CB 4.1Å; W391-C447 HydrophobicContact CG-CB 4.36Å; W391-C447 HydrophobicContact CH2-CB 4.16Å; W391-C447 HydrophobicContact CZ2-CB 3.82Å; W391-C447 HydrophobicContact CZ3-CB 4.28Å; W391-V450 HydrophobicContact CH2-CB 4.24Å; W391-V450 HydrophobicContact CH2-CG2 3.48Å; W391-V450 VanDerWaalsContact CH2-CG2 3.48Å; W391-V450 HydrophobicContact CZ2-CG2 4.41Å; W391-V450 HydrophobicContact CZ3-CG2 4.17Å; W391-L453 HydrophobicContact CE3-CD2 4.03Å; W391-L453 HydrophobicContact CZ3-CD2 3.59Å
392	A	92	Very high	81.3	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	158.3	-177.3	0	0	0	0	0	111.9	V368 I390 L403 F456	V368-A392 VanDerWaalsContact C-CB 3.44Å; V368-A392 CarbonylContact O-C 3.54Å; V368-A392 WeakPolarHBondContact O-CA 3.35Å; V368-A392 WeakPolarHBondContact O-CB 3.47Å; I390-A392 HydrophobicContact CG2-CB 4.32Å; A392-L403 HydrophobicContact CB-CD1 3.7Å; A392-L403 WeakPolarHBondContact O-CB 3.12Å; A392-L403 WeakPolarHBondContact O-CG 3.47Å; A392-L403 PolarHBondContact O-N 3.34Å; A392-F456 HydrophobicContact CB-CD1 4.03Å; A392-F456 HydrophobicContact CB-CE1 4.47Å
393	I	90.1	Very high	82.6	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	142	168.4	71.1	167.9	0	0	0	108.5	A367 V368 W395 W401 P402 V420 F433 L442 H443 F445	A367-I393 CarbonylContact C-O 3.59Å; A367-I393 VanDerWaalsContact CA-O 3.23Å; A367-I393 WeakPolarHBondContact CA-O 3.48Å; V368-I393 PolarHBondContact N-O 3.24Å; V368-I393 PolarHBondContact O-N 3.43Å; I393-W395 HydrophobicContact CG1-CE3 4.41Å; I393-W401 WeakPolarHBondContact CA-O 3.2Å; I393-P402 HydrophobicContact CG2-CB 4.47Å; I393-V420 HydrophobicContact CD1-CG1 3.72Å; I393-V420 HydrophobicContact CD1-CG2 4.11Å; I393-V420 HydrophobicContact CG1-CG1 4.3Å; I393-F433 HydrophobicContact CB-CD1 4.28Å; I393-F433 HydrophobicContact CB-CG 4.45Å; I393-F433 HydrophobicContact CD1-CB 3.81Å; I393-F433 HydrophobicContact CD1-CD1 3.83Å; I393-F433 HydrophobicContact CD1-CG 4Å; I393-F433 HydrophobicContact CG1-CB 4.44Å; I393-F433 HydrophobicContact CG1-CD1 3.6Å; I393-F433 HydrophobicContact CG1-CE1 4.06Å; I393-F433 HydrophobicContact CG1-CG 4.07Å; I393-F433 HydrophobicContact CG2-CB 4.14Å; I393-F433 HydrophobicContact CG2-CD1 3.84Å; I393-F433 HydrophobicContact CG2-CD2 3.67Å; I393-F433 HydrophobicContact CG2-CE1 4.14Å; I393-F433 HydrophobicContact CG2-CE2 4.04Å; I393-F433 HydrophobicContact CG2-CG 3.58Å; I393-F433 HydrophobicContact CG2-CZ 4.25Å; I393-L442 HydrophobicContact CD1-CD1 3.72Å; I393-H443 HydrophobicContact CG2-CB 4.3Å; I393-F445 HydrophobicContact CG2-CE2 4.44Å
394	Y	86.6	Confident	83.2	Confident	27 Å²	27	27.2 Å²	27.2	11%	0.106	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	148.3	169.3	84	-90.5	0	0	0	110.4	F315 V366 Y400 W401 L403	F315-Y394 HydrophobicContact CD1-CD1 4.01Å; F315-Y394 AromaticContact CD1-CD2 3.85Å; F315-Y394 HydrophobicContact CD1-CD2 3.85Å; F315-Y394 AromaticContact CD1-CE1 3.7Å; F315-Y394 HydrophobicContact CD1-CE1 3.7Å; F315-Y394 AromaticContact CD1-CE2 3.58Å; F315-Y394 HydrophobicContact CD1-CE2 3.58Å; F315-Y394 HydrophobicContact CD1-CG 4.06Å; F315-Y394 AromaticContact CD1-CZ 3.5Å; F315-Y394 AromaticContact CE1-CD1 3.25Å; F315-Y394 HydrophobicContact CE1-CD1 3.25Å; F315-Y394 AromaticContact CE1-CD2 3.91Å; F315-Y394 HydrophobicContact CE1-CD2 3.91Å; F315-Y394 AromaticContact CE1-CE1 3.14Å; F315-Y394 HydrophobicContact CE1-CE1 3.14Å; F315-Y394 AromaticContact CE1-CE2 3.87Å; F315-Y394 HydrophobicContact CE1-CE2 3.87Å; F315-Y394 AromaticContact CE1-CG 3.62Å; F315-Y394 HydrophobicContact CE1-CG 3.62Å; F315-Y394 AromaticContact CE1-CZ 3.5Å; F315-Y394 HydrophobicContact CE2-CG 4.41Å; F315-Y394 HydrophobicContact CG-CD2 4.29Å; F315-Y394 HydrophobicContact CG-CE2 4.29Å; F315-Y394 AromaticContact CZ-CD1 3.61Å; F315-Y394 HydrophobicContact CZ-CD1 3.61Å; F315-Y394 HydrophobicContact CZ-CD2 4.38Å; F315-Y394 AromaticContact CZ-CE1 3.99Å; F315-Y394 HydrophobicContact CZ-CE1 3.99Å; F315-Y394 AromaticContact CZ-CG 3.81Å; F315-Y394 HydrophobicContact CZ-CG 3.81Å; V366-Y394 CarbonylContact O-C 3.56Å; V366-Y394 WeakPolarHBondContact O-CA 3.26Å; V366-Y394 WeakPolarHBondContact O-CB 3.47Å; Y394-Y400 CarbonylContact O-C 3.54Å; Y394-Y400 VanDerWaalsContact O-CA 3.29Å; Y394-Y400 WeakPolarHBondContact O-CA 3.38Å; Y394-W401 HydrophobicContact CD1-CB 3.73Å; Y394-W401 WeakPolarHBondContact CD1-O 3.31Å; Y394-W401 HydrophobicContact CD2-CE3 4.08Å; Y394-W401 HydrophobicContact CE1-CB 3.18Å; Y394-W401 HydrophobicContact CE1-CD2 4.25Å; Y394-W401 HydrophobicContact CE1-CE3 4.33Å; Y394-W401 AromaticContact CE1-CG 3.81Å; Y394-W401 HydrophobicContact CE1-CG 3.81Å; Y394-W401 HydrophobicContact CE2-CB 4.33Å; Y394-W401 AromaticContact CE2-CD2 3.96Å; Y394-W401 HydrophobicContact CE2-CD2 3.96Å; Y394-W401 AromaticContact CE2-CE3 3.33Å; Y394-W401 HydrophobicContact CE2-CE3 3.33Å; Y394-W401 HydrophobicContact CE2-CG 4.39Å; Y394-W401 AromaticContact CE2-CZ3 3.97Å; Y394-W401 HydrophobicContact CE2-CZ3 3.97Å; Y394-W401 AromaticContact CZ-CD2 3.58Å; Y394-W401 AromaticContact CZ-CE3 3.48Å; Y394-W401 VanDerWaalsContact CZ-CE3 3.48Å; Y394-W401 AromaticContact CZ-CG 3.61Å; Y394-W401 PolarHBondContact N-O 2.63Å; Y394-W401 PolarHBondContact O-N 3.37Å; Y394-W401 VanDerWaalsContact OH-CD2 3.26Å; Y394-L403 HydrophobicContact CD1-CD2 4.08Å
395	W	86.9	Confident	82.4	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	154	178.1	72.8	101.2	0	0	0	112.4	V358 R360 V366 V368 I393 G399 L417 V420	V358-W395 HydrophobicContact CG1-CH2 4.49Å; R360-W395 HydrophobicContact CB-CZ2 4.12Å; V366-W395 HydrophobicContact CG2-CD2 3.79Å; V366-W395 VanDerWaalsContact CG2-CE2 3.49Å; V366-W395 HydrophobicContact CG2-CE3 3.92Å; V366-W395 HydrophobicContact CG2-CH2 3.54Å; V366-W395 HydrophobicContact CG2-CZ2 3.4Å; V366-W395 VanDerWaalsContact CG2-CZ2 3.4Å; V366-W395 HydrophobicContact CG2-CZ3 3.78Å; V366-W395 PolarHBondContact N-O 2.96Å; V366-W395 PolarHBondContact O-N 3.49Å; V368-W395 HydrophobicContact CB-CH2 4.23Å; V368-W395 HydrophobicContact CB-CZ3 3.99Å; V368-W395 HydrophobicContact CG1-CH2 3.5Å; V368-W395 HydrophobicContact CG1-CZ3 3.6Å; V368-W395 HydrophobicContact CG2-CH2 3.74Å; V368-W395 HydrophobicContact CG2-CZ3 3.42Å; V368-W395 VanDerWaalsContact CG2-CZ3 3.42Å; I393-W395 HydrophobicContact CG1-CE3 4.41Å; W395-G399 CarbonylContact C-O 3.57Å; W395-G399 VanDerWaalsContact CA-O 3.31Å; W395-G399 WeakPolarHBondContact CA-O 3.43Å; W395-L417 HydrophobicContact CG-CB 4.25Å; W395-L417 PolarHBondContact NE1-O 3.32Å; W395-V420 HydrophobicContact CD2-CG2 4.02Å; W395-V420 HydrophobicContact CE3-CG2 4.03Å; W395-V420 HydrophobicContact CH2-CB 4.13Å; W395-V420 HydrophobicContact CH2-CG2 3.97Å; W395-V420 HydrophobicContact CZ2-CB 4.4Å; W395-V420 HydrophobicContact CZ2-CG2 3.95Å; W395-V420 HydrophobicContact CZ3-CB 4.38Å; W395-V420 HydrophobicContact CZ3-CG2 4.03Å
396	S	80.9	Confident	81	Confident	10 Å²	10	35.6 Å²	35.6	7%	0.07	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	-176.4	-176	83.5	0	0	0	0	110.9	A398 G399	S396-A398 PolarHBondContact O-N 2.87Å; S396-A398 WeakPolarHBondContact OG-CB 3.43Å; S396-A398 PolarHBondContact OG-N 3.44Å; S396-G399 PolarHBondContact N-O 3.44Å; S396-G399 PolarHBondContact O-N 3.25Å
397	A	76.8	Confident	79.1	Confident	70 Å²	70	38.1 Å²	38.1	58%	0.579	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.8	170.2	0	0	0	0	0	113.3
398	A	73	Confident	77.5	Confident	58 Å²	58	33.5 Å²	33.5	48%	0.479	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-8.3	-178.9	0	0	0	0	0	114.2	S396 W401	S396-A398 PolarHBondContact O-N 2.87Å; S396-A398 WeakPolarHBondContact OG-CB 3.43Å; S396-A398 PolarHBondContact OG-N 3.44Å; A398-W401 HydrophobicContact CB-CH2 4.02Å
399	G	77.9	Confident	76.1	Confident	4 Å²	4	38.8 Å²	38.8	4%	0.041	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.9	-162	-177.6	0	0	0	0	0	112.8	W395 S396 W401	W395-G399 CarbonylContact C-O 3.57Å; W395-G399 VanDerWaalsContact CA-O 3.31Å; W395-G399 WeakPolarHBondContact CA-O 3.43Å; S396-G399 PolarHBondContact N-O 3.44Å; S396-G399 PolarHBondContact O-N 3.25Å; G399-W401 VanDerWaalsContact O-CZ3 3.22Å; G399-W401 WeakPolarHBondContact O-CZ3 3.44Å
400	Y	83.8	Confident	74.1	Confident	12 Å²	12	41.6 Å²	41.6	5%	0.047	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	157.8	176	73.6	-87.5	0	0	0	111.9	Y394 Q412 L417 L442	Y394-Y400 CarbonylContact O-C 3.54Å; Y394-Y400 VanDerWaalsContact O-CA 3.29Å; Y394-Y400 WeakPolarHBondContact O-CA 3.38Å; Y400-Q412 HydrophobicContact CE1-CB 4.48Å; Y400-Q412 PolarHBondContact OH-OE1 2.99Å; Y400-L417 HydrophobicContact CD1-CD1 3.52Å; Y400-L417 HydrophobicContact CD1-CG 4.3Å; Y400-L417 HydrophobicContact CE1-CD1 4.31Å; Y400-L417 HydrophobicContact CG-CD1 3.69Å; Y400-L442 HydrophobicContact CD1-CD2 4.46Å; Y400-L442 HydrophobicContact CD2-CB 4.43Å; Y400-L442 HydrophobicContact CE1-CD2 3.91Å; Y400-L442 HydrophobicContact CE2-CB 3.87Å; Y400-L442 HydrophobicContact CE2-CD2 4.23Å
401	W	81.9	Confident	72.2	Confident	29 Å²	29	45.2 Å²	45.2	11%	0.11	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	134.9	-177.1	-68.4	-98.5	0	0	0	111.4	I393 Y394 A398 G399 P410	I393-W401 WeakPolarHBondContact CA-O 3.2Å; Y394-W401 HydrophobicContact CD1-CB 3.73Å; Y394-W401 WeakPolarHBondContact CD1-O 3.31Å; Y394-W401 HydrophobicContact CD2-CE3 4.08Å; Y394-W401 HydrophobicContact CE1-CB 3.18Å; Y394-W401 HydrophobicContact CE1-CD2 4.25Å; Y394-W401 HydrophobicContact CE1-CE3 4.33Å; Y394-W401 AromaticContact CE1-CG 3.81Å; Y394-W401 HydrophobicContact CE1-CG 3.81Å; Y394-W401 HydrophobicContact CE2-CB 4.33Å; Y394-W401 AromaticContact CE2-CD2 3.96Å; Y394-W401 HydrophobicContact CE2-CD2 3.96Å; Y394-W401 AromaticContact CE2-CE3 3.33Å; Y394-W401 HydrophobicContact CE2-CE3 3.33Å; Y394-W401 HydrophobicContact CE2-CG 4.39Å; Y394-W401 AromaticContact CE2-CZ3 3.97Å; Y394-W401 HydrophobicContact CE2-CZ3 3.97Å; Y394-W401 AromaticContact CZ-CD2 3.58Å; Y394-W401 AromaticContact CZ-CE3 3.48Å; Y394-W401 VanDerWaalsContact CZ-CE3 3.48Å; Y394-W401 AromaticContact CZ-CG 3.61Å; Y394-W401 PolarHBondContact N-O 2.63Å; Y394-W401 PolarHBondContact O-N 3.37Å; Y394-W401 VanDerWaalsContact OH-CD2 3.26Å; A398-W401 HydrophobicContact CB-CH2 4.02Å; G399-W401 VanDerWaalsContact O-CZ3 3.22Å; G399-W401 WeakPolarHBondContact O-CZ3 3.44Å; W401-P410 HydrophobicContact CZ2-CB 3.91Å; W401-P410 HydrophobicContact CZ2-CG 4.06Å
402	P	87.3	Confident	70.2	Confident	24 Å²	24	46.7 Å²	46.7	16%	0.156	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	144.1	166.6	32.3	-33.8	0	0	0	110.5	I393 T404 H443 F445	I393-P402 HydrophobicContact CG2-CB 4.47Å; P402-T404 HydrophobicContact CB-CG2 4.15Å; P402-T404 HydrophobicContact CG-CG2 4.19Å; P402-T404 PolarHBondContact O-N 3Å; P402-H443 HydrophobicContact CB-CB 4.4Å; P402-F445 HydrophobicContact CB-CE1 4.19Å; P402-F445 HydrophobicContact CB-CE2 4.41Å; P402-F445 HydrophobicContact CB-CZ 3.6Å
403	L	82.2	Confident	68.1	Low	5 Å²	5	54.7 Å²	54.7	3%	0.026	33%	0.329	C	S	.	.			trans	-74.6	84.5	174.8	-73.1	179.1	0	0	0	111.4	F315 M384 P386 I390 A392 Y394	F315-L403 HydrophobicContact CE1-CD2 4.23Å; F315-L403 HydrophobicContact CZ-CD2 3.67Å; M384-L403 HydrophobicContact CB-CD1 3.99Å; P386-L403 WeakPolarHBondContact CD-O 3.41Å; I390-L403 HydrophobicContact CG2-CD1 4.33Å; A392-L403 HydrophobicContact CB-CD1 3.7Å; A392-L403 WeakPolarHBondContact O-CB 3.12Å; A392-L403 WeakPolarHBondContact O-CG 3.47Å; A392-L403 PolarHBondContact O-N 3.34Å; Y394-L403 HydrophobicContact CD1-CD2 4.08Å
404	T	76.2	Confident	66.4	Low	88 Å²	88	57.1 Å²	57.1	54%	0.54	34%	0.34	S	S	.	.			trans	-111	21.2	-176.7	51.5	0	0	0	0	115	P402 F406 F445	P402-T404 HydrophobicContact CB-CG2 4.15Å; P402-T404 HydrophobicContact CG-CG2 4.19Å; P402-T404 PolarHBondContact O-N 3Å; T404-F406 PolarHBondContact O-N 3.48Å; T404-F445 HydrophobicContact CG2-CE1 3.88Å
405	G	56.8	Low	64.9	Low	20 Å²	20	61.2 Å²	61.2	21%	0.206	37%	0.37	C	S	.	.	S	Bend	trans	86.3	-9.4	169.9	0	0	0	0	0	116.9
406	F	50.4	Low	63.7	Low	181 Å²	181	62.8 Å²	62.8	79%	0.794	38%	0.383	S	S	*	.	S	Bend	trans	-143.6	138.2	170.1	-99.2	-94.7	0	0	0	110.8	T404 G408	T404-F406 PolarHBondContact O-N 3.48Å; F406-G408 PolarHBondContact O-N 3.27Å
407	P	47.4	Very low	63.3	Low	89 Å²	89	63.1 Å²	63.1	58%	0.578	38%	0.384	S	S	*	.			trans	-74.6	90.3	176.7	29.4	-30.9	0	0	0	109.9
408	G	48.8	Very low	63.5	Low	47 Å²	47	65.3 Å²	65.3	49%	0.485	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-68.4	152.5	165.6	0	0	0	0	0	111.3	F406	F406-G408 PolarHBondContact O-N 3.27Å
409	T	49	Very low	64.3	Low	127 Å²	127	66.4 Å²	66.4	78%	0.779	37%	0.374	S	S	*	.	S	Bend	trans	-51.5	151.8	169.3	39.1	0	0	0	0	111.7	T411	T409-T411 PolarHBondContact O-N 3.48Å
410	P	46.6	Very low	65	Low	61 Å²	61	66.2 Å²	66.2	40%	0.396	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-48.6	123	-173.3	-18.9	24.1	0	0	0	111.9	W401 Q412	W401-P410 HydrophobicContact CZ2-CB 3.91Å; W401-P410 HydrophobicContact CZ2-CG 4.06Å; P410-Q412 VanDerWaalsContact C-N 3.26Å; P410-Q412 PolarHBondContact O-N 3.33Å
411	T	48.9	Very low	65.5	Low	89 Å²	89	65.7 Å²	65.7	55%	0.546	37%	0.37	S	S	.	.	S	Bend	trans	-67.5	-34.4	177.2	-33.1	0	0	0	0	109.9	T409	T409-T411 PolarHBondContact O-N 3.48Å
412	Q	51	Low	66.2	Low	39 Å²	39	64.3 Å²	64.3	18%	0.182	37%	0.365	C	S	.	.			trans	-154.9	133.5	177.6	-95.1	164.1	-1.7	0	0	110.8	Y400 P410 E414	Y400-Q412 HydrophobicContact CE1-CB 4.48Å; Y400-Q412 PolarHBondContact OH-OE1 2.99Å; P410-Q412 VanDerWaalsContact C-N 3.26Å; P410-Q412 PolarHBondContact O-N 3.33Å; Q412-E414 VanDerWaalsContact C-N 3.26Å; Q412-E414 HydrophobicContact CB-CB 4.45Å; Q412-E414 HydrophobicContact CB-CG 3.96Å; Q412-E414 VanDerWaalsContact CD-OE1 3.25Å; Q412-E414 HydrophobicContact CG-CG 4.37Å; Q412-E414 PolarHBondContact O-N 2.9Å; Q412-E414 VanDerWaalsContact OE1-CD 3.27Å; Q412-E414 PolarHBondContact OE1-OE1 2.96Å
413	Q	47.8	Very low	66.6	Low	169 Å²	169	64 Å²	64	79%	0.79	36%	0.361	S	S	*	.			trans	-90.8	70.6	168.7	-164.4	176	20.9	0	0	106.9
414	E	54.8	Low	67.3	Low	50 Å²	50	63.8 Å²	63.8	23%	0.234	36%	0.36	C	S	.	.			trans	-89.9	158.3	-177.9	-91.4	-176.6	-177.1	0	0	111.4	Q412 A416	Q412-E414 VanDerWaalsContact C-N 3.26Å; Q412-E414 HydrophobicContact CB-CB 4.45Å; Q412-E414 HydrophobicContact CB-CG 3.96Å; Q412-E414 VanDerWaalsContact CD-OE1 3.25Å; Q412-E414 HydrophobicContact CG-CG 4.37Å; Q412-E414 PolarHBondContact O-N 2.9Å; Q412-E414 VanDerWaalsContact OE1-CD 3.27Å; Q412-E414 PolarHBondContact OE1-OE1 2.96Å; E414-A416 PolarHBondContact O-N 2.9Å
415	P	55	Low	68.2	Low	113 Å²	113	60.4 Å²	60.4	73%	0.734	34%	0.338	S	S	*	.	S	Bend	trans	-53.9	140.1	176.1	22.6	-31.8	0	0	0	109.8	L417	P415-L417 PolarHBondContact O-N 3.44Å
416	A	61.5	Low	69.9	Low	34 Å²	34	61.5 Å²	61.5	28%	0.281	34%	0.336	S	S	.	.			trans	-46.7	111.3	-173.8	0	0	0	0	0	111.2	E414 H418	E414-A416 PolarHBondContact O-N 2.9Å; A416-H418 PolarHBondContact O-CD2 2.9Å; A416-H418 PolarHBondContact O-N 3.28Å; A416-H418 VanDerWaalsContact O-N 3.07Å; A416-H418 PolarHBondContact O-NE2 2.96Å
417	L	73.4	Confident	71.7	Confident	16 Å²	16	56.3 Å²	56.3	8%	0.084	33%	0.334	C	S	.	.			trans	-60.2	117.2	176	-70.6	178.1	0	0	0	108.4	W395 Y400 P415 V420 L442	W395-L417 HydrophobicContact CG-CB 4.25Å; W395-L417 PolarHBondContact NE1-O 3.32Å; Y400-L417 HydrophobicContact CD1-CD1 3.52Å; Y400-L417 HydrophobicContact CD1-CG 4.3Å; Y400-L417 HydrophobicContact CE1-CD1 4.31Å; Y400-L417 HydrophobicContact CG-CD1 3.69Å; P415-L417 PolarHBondContact O-N 3.44Å; L417-V420 HydrophobicContact CD1-CG2 4.4Å; L417-L442 HydrophobicContact CD1-CD1 3.69Å; L417-L442 HydrophobicContact CD1-CD2 4.06Å; L417-L442 HydrophobicContact CD2-CD2 4.35Å
418	H	79.6	Confident	73.6	Confident	117 Å²	117	56.1 Å²	56.1	54%	0.542	33%	0.331	S	S	.	.			trans	-91.4	-31.8	178.2	-73.5	-75.1	0	0	0	111.9	E359 R360 A416	E359-H418 WeakPolarHBondContact CA-O 3.2Å; R360-H418 PolarHBondContact N-O 2.81Å; A416-H418 PolarHBondContact O-CD2 2.9Å; A416-H418 PolarHBondContact O-N 3.28Å; A416-H418 VanDerWaalsContact O-N 3.07Å; A416-H418 PolarHBondContact O-NE2 2.96Å
419	R	90	Very high	75.6	Confident	81 Å²	81	54.1 Å²	54.1	31%	0.306	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	127.9	-176.5	-165.1	-174.5	-66.1	176.3	1.7	111.8	E357 V358 E359 A436	E357-R419 HydrophobicContact CB-CG 4.32Å; E357-R419 WeakPolarHBondContact OE2-CD 3.35Å; E357-R419 IonicContact OE2-NH1 3.7Å; E357-R419 PolarHBondContact OE2-NH1 3.45Å; V358-R419 CarbonylContact O-C 3.53Å; V358-R419 VanDerWaalsContact O-CA 3.32Å; V358-R419 WeakPolarHBondContact O-CA 3.49Å; V358-R419 WeakPolarHBondContact O-CG 3.11Å; E359-R419 HydrophobicContact CB-CG 4.14Å; E359-R419 IonicContact OE2-CZ 2.63Å; E359-R419 VanDerWaalsContact OE2-CZ 3.3Å; E359-R419 IonicContact OE2-NE 2.67Å; E359-R419 PolarHBondContact OE2-NE 3.07Å; E359-R419 VanDerWaalsContact OE2-NE 3.15Å; E359-R419 IonicContact OE2-NH2 3.53Å; E359-R419 PolarHBondContact OE2-NH2 2.62Å; R419-A436 HydrophobicContact CB-CB 3.97Å; R419-A436 HydrophobicContact CG-CB 3.61Å; R419-A436 PolarHBondContact O-N 2.66Å
420	V	92.6	Very high	77.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.4	-179.9	171.7	0	0	0	0	109.4	E357 V358 V368 I393 W395 L417 F433 Y434 L442	E357-V420 CarbonylContact C-O 3.54Å; E357-V420 WeakPolarHBondContact CA-O 3.18Å; V358-V420 PolarHBondContact N-O 2.7Å; V358-V420 PolarHBondContact O-N 3.32Å; V368-V420 HydrophobicContact CG2-CB 4.44Å; V368-V420 HydrophobicContact CG2-CG1 4.06Å; I393-V420 HydrophobicContact CD1-CG1 3.72Å; I393-V420 HydrophobicContact CD1-CG2 4.11Å; I393-V420 HydrophobicContact CG1-CG1 4.3Å; W395-V420 HydrophobicContact CD2-CG2 4.02Å; W395-V420 HydrophobicContact CE3-CG2 4.03Å; W395-V420 HydrophobicContact CH2-CB 4.13Å; W395-V420 HydrophobicContact CH2-CG2 3.97Å; W395-V420 HydrophobicContact CZ2-CB 4.4Å; W395-V420 HydrophobicContact CZ2-CG2 3.95Å; W395-V420 HydrophobicContact CZ3-CB 4.38Å; W395-V420 HydrophobicContact CZ3-CG2 4.03Å; L417-V420 HydrophobicContact CD1-CG2 4.4Å; V420-F433 HydrophobicContact CG1-CD1 4.19Å; V420-Y434 CarbonylContact C-O 3.58Å; V420-Y434 WeakPolarHBondContact CA-O 3.23Å; V420-L442 HydrophobicContact CG2-CD1 4.34Å
421	G	94.6	Very high	80.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	130.7	167.8	0	0	0	0	0	110.7	W356 F433 Y434	W356-G421 WeakPolarHBondContact O-CA 3.04Å; G421-F433 WeakPolarHBondContact O-CA 3.41Å; G421-Y434 PolarHBondContact N-O 3.17Å; G421-Y434 PolarHBondContact O-N 3.08Å
422	V	96.3	Very high	82.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.6	173.6	-173.3	0	0	0	0	108	Y355 W356 V368 V431 F433	Y355-V422 VanDerWaalsContact CA-O 3.28Å; Y355-V422 WeakPolarHBondContact CA-O 3.39Å; Y355-V422 WeakPolarHBondContact CD2-O 3.35Å; W356-V422 HydrophobicContact CD2-CB 4.09Å; W356-V422 HydrophobicContact CH2-CB 4.19Å; W356-V422 HydrophobicContact CH2-CG1 3.67Å; W356-V422 HydrophobicContact CZ2-CB 3.7Å; W356-V422 HydrophobicContact CZ2-CG1 3.44Å; W356-V422 VanDerWaalsContact CZ2-CG1 3.44Å; W356-V422 HydrophobicContact CZ2-CG2 4.3Å; W356-V422 HydrophobicContact CZ3-CG1 4.36Å; W356-V422 PolarHBondContact N-O 3.27Å; W356-V422 PolarHBondContact O-N 2.92Å; V368-V422 HydrophobicContact CG2-CG2 3.97Å; V422-V431 HydrophobicContact CG1-CG2 3.81Å; V422-F433 HydrophobicContact CG1-CD1 4.48Å; V422-F433 HydrophobicContact CG1-CE1 4.03Å; V422-F433 HydrophobicContact CG1-CZ 4.43Å; V422-F433 HydrophobicContact CG2-CD1 4.03Å; V422-F433 HydrophobicContact CG2-CE1 3.91Å
423	Y	96.6	Very high	84.4	Confident	19 Å²	19	42 Å²	42	8%	0.075	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	116.2	178	177.9	-109.8	0	0	0	110.1	L276 F279 K353 H354 D425 V431 S432 Y434	L276-Y423 HydrophobicContact CD2-CD1 4.13Å; L276-Y423 HydrophobicContact CD2-CD2 3.54Å; L276-Y423 HydrophobicContact CD2-CE2 4.16Å; L276-Y423 HydrophobicContact CD2-CG 3.52Å; F279-Y423 HydrophobicContact CB-CE2 4.36Å; F279-Y423 AromaticContact CD2-CE2 3.74Å; F279-Y423 HydrophobicContact CD2-CE2 3.74Å; F279-Y423 HydrophobicContact CE2-CE2 4.34Å; F279-Y423 HydrophobicContact CG-CE2 4.15Å; K353-Y423 HydrophobicContact CB-CE2 4.16Å; K353-Y423 WeakPolarHBondContact CD-OH 3.21Å; K353-Y423 WeakPolarHBondContact CE-OH 3.3Å; K353-Y423 WeakPolarHBondContact CG-OH 3.47Å; H354-Y423 CarbonylContact O-C 3.5Å; H354-Y423 WeakPolarHBondContact O-CA 3.38Å; Y423-D425 HydrophobicContact CE1-CB 3.86Å; Y423-V431 CarbonylContact O-C 3.58Å; Y423-V431 WeakPolarHBondContact O-CA 3.45Å; Y423-S432 PolarHBondContact N-O 2.98Å; Y423-S432 PolarHBondContact O-N 3.27Å; Y423-Y434 HydrophobicContact CD1-CE2 4.46Å; Y423-Y434 HydrophobicContact CG-CE2 4.47Å
424	L	95.9	Very high	86.4	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117.5	178.5	177.9	64.5	0	0	0	109.6	F349 K353 H354 W356 V370 R426 V431 L453	F349-L424 HydrophobicContact CB-CD2 3.61Å; F349-L424 HydrophobicContact CD2-CD2 3.6Å; F349-L424 HydrophobicContact CE2-CD2 4.47Å; F349-L424 HydrophobicContact CG-CD2 3.81Å; K353-L424 CarbonylContact C-O 3.54Å; K353-L424 WeakPolarHBondContact CA-O 3.33Å; H354-L424 HydrophobicContact CB-CB 4.46Å; H354-L424 PolarHBondContact N-O 3.33Å; H354-L424 PolarHBondContact O-N 3.48Å; W356-L424 HydrophobicContact CH2-CB 4.44Å; W356-L424 HydrophobicContact CZ3-CB 4.25Å; V370-L424 HydrophobicContact CG1-CD2 4.47Å; L424-R426 HydrophobicContact CD2-CG 4.34Å; L424-R426 HydrophobicContact CG-CG 4.22Å; L424-V431 HydrophobicContact CD1-CB 4.16Å; L424-L453 HydrophobicContact CD1-CD1 3.75Å; L424-L453 HydrophobicContact CD2-CB 4.41Å; L424-L453 HydrophobicContact CD2-CD1 4.3Å
425	D	95.1	Very high	88.1	Confident	16 Å²	16	33 Å²	33	9%	0.086	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	103.1	172.7	-173.2	-17.9	0	0	0	109.9	K353 Y423 G427 T428 G429 N430	K353-D425 VanDerWaalsContact CE-OD2 3.26Å; K353-D425 WeakPolarHBondContact CE-OD2 3.42Å; K353-D425 HydrophobicContact CG-CB 4.4Å; K353-D425 IonicContact NZ-OD2 3.28Å; Y423-D425 HydrophobicContact CE1-CB 3.86Å; D425-G427 VanDerWaalsContact C-N 3.29Å; D425-G427 PolarHBondContact O-N 3.36Å; D425-G427 WeakPolarHBondContact OD1-CA 3.38Å; D425-G427 PolarHBondContact OD1-N 2.89Å; D425-T428 WeakPolarHBondContact CB-OG1 3.26Å; D425-T428 PolarHBondContact OD1-N 3.4Å; D425-T428 VanDerWaalsContact OD1-N 3.17Å; D425-T428 PolarHBondContact OD2-OG1 2.94Å; D425-G429 WeakPolarHBondContact O-CA 3.5Å; D425-G429 PolarHBondContact O-N 2.97Å; D425-N430 PolarHBondContact N-O 3.36Å; D425-N430 PolarHBondContact O-N 2.91Å
426	R	92.1	Very high	89.7	Confident	44 Å²	44	27.7 Å²	27.7	17%	0.166	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-17.2	179.1	-64	-55.3	-51.6	-82.8	-9.3	113.7	F349 T350 G352 L424 V450 S451	F349-R426 PolarHBondContact O-NH1 3.48Å; T350-R426 VanDerWaalsContact CA-NH1 3.25Å; T350-R426 PolarHBondContact O-NH1 3.2Å; T350-R426 PolarHBondContact O-NH2 3.37Å; G352-R426 WeakPolarHBondContact O-CB 3.38Å; G352-R426 PolarHBondContact O-N 2.87Å; L424-R426 HydrophobicContact CD2-CG 4.34Å; L424-R426 HydrophobicContact CG-CG 4.22Å; R426-V450 PolarHBondContact NH2-O 3.13Å; R426-S451 PolarHBondContact NH1-O 3.11Å; R426-S451 PolarHBondContact NH2-O 2.93Å
427	G	88.5	Confident	90.8	Very high	72 Å²	72	30.5 Å²	30.5	74%	0.742	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-41.5	176.7	0	0	0	0	0	112.1	D425	D425-G427 VanDerWaalsContact C-N 3.29Å; D425-G427 PolarHBondContact O-N 3.36Å; D425-G427 WeakPolarHBondContact OD1-CA 3.38Å; D425-G427 PolarHBondContact OD1-N 2.89Å
428	T	88.4	Confident	91.3	Very high	84 Å²	84	33.5 Å²	33.5	52%	0.515	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-15.5	174.7	58	0	0	0	0	113.2	D425	D425-T428 WeakPolarHBondContact CB-OG1 3.26Å; D425-T428 PolarHBondContact OD1-N 3.4Å; D425-T428 VanDerWaalsContact OD1-N 3.17Å; D425-T428 PolarHBondContact OD2-OG1 2.94Å
429	G	90.4	Very high	91.6	Very high	6 Å²	6	28 Å²	28	6%	0.062	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	31.6	179.9	0	0	0	0	0	113	D425 C447 S448	D425-G429 WeakPolarHBondContact O-CA 3.5Å; D425-G429 PolarHBondContact O-N 2.97Å; G429-C447 CarbonylContact O-C 3.57Å; G429-C447 PolarHBondContact O-N 2.69Å; G429-C447 PolarHBondContact O-SG 3.38Å; G429-C447 VanDerWaalsContact O-SG 3.41Å; G429-S448 PolarHBondContact O-N 3.24Å
430	N	94.4	Very high	91.5	Very high	51 Å²	51	24.7 Å²	24.7	27%	0.273	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	147	-174.3	-67.3	-36.5	0	0	0	111.9	D425 T444 F445	D425-N430 PolarHBondContact N-O 3.36Å; D425-N430 PolarHBondContact O-N 2.91Å; N430-T444 HydrophobicContact CB-CG2 3.98Å; N430-F445 WeakPolarHBondContact CA-O 3.4Å
431	V	95.8	Very high	91.3	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.9	164.5	58.5	0	0	0	0	108.9	V370 W391 V422 Y423 L424 F433 T444 F445	V370-V431 HydrophobicContact CG1-CG2 4.34Å; V370-V431 HydrophobicContact CG2-CB 4.04Å; V370-V431 HydrophobicContact CG2-CG1 3.92Å; V370-V431 HydrophobicContact CG2-CG2 3.96Å; W391-V431 HydrophobicContact CB-CG1 3.67Å; W391-V431 HydrophobicContact CG-CG1 4.2Å; V422-V431 HydrophobicContact CG1-CG2 3.81Å; Y423-V431 CarbonylContact O-C 3.58Å; Y423-V431 WeakPolarHBondContact O-CA 3.45Å; L424-V431 HydrophobicContact CD1-CB 4.16Å; V431-F433 HydrophobicContact CG1-CE2 4.24Å; V431-F433 HydrophobicContact CG2-CE2 3.9Å; V431-F433 HydrophobicContact CG2-CZ 3.91Å; V431-T444 CarbonylContact O-C 3.48Å; V431-T444 VanDerWaalsContact O-CA 3.31Å; V431-T444 WeakPolarHBondContact O-CA 3.33Å; V431-F445 HydrophobicContact CG1-CB 3.87Å; V431-F445 HydrophobicContact CG1-CD2 4.19Å; V431-F445 PolarHBondContact N-O 2.91Å; V431-F445 PolarHBondContact O-N 3.45Å
432	S	94.9	Very high	91	Very high	11 Å²	11	28.6 Å²	28.6	8%	0.077	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.8	-178.6	-61	0	0	0	0	110.6	Y423 Y434 H443 T444	Y423-S432 PolarHBondContact N-O 2.98Å; Y423-S432 PolarHBondContact O-N 3.27Å; S432-Y434 VanDerWaalsContact CB-CE2 3.43Å; S432-H443 CarbonylContact C-O 3.53Å; S432-H443 WeakPolarHBondContact CA-O 3.39Å; S432-T444 WeakPolarHBondContact CB-OG1 3.43Å; S432-T444 WeakPolarHBondContact OG-CG2 3.39Å; S432-T444 PolarHBondContact OG-OG1 3.19Å
433	F	93.8	Very high	90.6	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.4	-179.4	-61.6	-94.2	0	0	0	109.4	V368 I393 V420 G421 V422 V431 L442 H443 F445	V368-F433 VanDerWaalsContact O-CE1 3.26Å; V368-F433 WeakPolarHBondContact O-CE1 3.25Å; I393-F433 HydrophobicContact CB-CD1 4.28Å; I393-F433 HydrophobicContact CB-CG 4.45Å; I393-F433 HydrophobicContact CD1-CB 3.81Å; I393-F433 HydrophobicContact CD1-CD1 3.83Å; I393-F433 HydrophobicContact CD1-CG 4Å; I393-F433 HydrophobicContact CG1-CB 4.44Å; I393-F433 HydrophobicContact CG1-CD1 3.6Å; I393-F433 HydrophobicContact CG1-CE1 4.06Å; I393-F433 HydrophobicContact CG1-CG 4.07Å; I393-F433 HydrophobicContact CG2-CB 4.14Å; I393-F433 HydrophobicContact CG2-CD1 3.84Å; I393-F433 HydrophobicContact CG2-CD2 3.67Å; I393-F433 HydrophobicContact CG2-CE1 4.14Å; I393-F433 HydrophobicContact CG2-CE2 4.04Å; I393-F433 HydrophobicContact CG2-CG 3.58Å; I393-F433 HydrophobicContact CG2-CZ 4.25Å; V420-F433 HydrophobicContact CG1-CD1 4.19Å; G421-F433 WeakPolarHBondContact O-CA 3.41Å; V422-F433 HydrophobicContact CG1-CD1 4.48Å; V422-F433 HydrophobicContact CG1-CE1 4.03Å; V422-F433 HydrophobicContact CG1-CZ 4.43Å; V422-F433 HydrophobicContact CG2-CD1 4.03Å; V422-F433 HydrophobicContact CG2-CE1 3.91Å; V431-F433 HydrophobicContact CG1-CE2 4.24Å; V431-F433 HydrophobicContact CG2-CE2 3.9Å; V431-F433 HydrophobicContact CG2-CZ 3.91Å; F433-L442 HydrophobicContact CB-CB 4.15Å; F433-L442 HydrophobicContact CB-CD1 4.49Å; F433-L442 WeakPolarHBondContact O-CB 3.36Å; F433-L442 PolarHBondContact O-N 3.19Å; F433-H443 HydrophobicContact CD2-CB 4.48Å; F433-H443 PolarHBondContact N-O 3.45Å; F433-H443 PolarHBondContact O-N 3.34Å; F433-F445 HydrophobicContact CD2-CD2 4.45Å; F433-F445 HydrophobicContact CD2-CE2 4.48Å; F433-F445 AromaticContact CE2-CD2 3.66Å; F433-F445 HydrophobicContact CE2-CD2 3.66Å; F433-F445 AromaticContact CE2-CE2 3.79Å; F433-F445 HydrophobicContact CE2-CE2 3.79Å; F433-F445 HydrophobicContact CZ-CD2 4.46Å; F433-F445 HydrophobicContact CZ-CE2 4.41Å
434	Y	91.8	Very high	90.5	Very high	25 Å²	25	32.6 Å²	32.6	10%	0.098	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150.2	-178.1	-60.5	-92.4	0	0	0	110.3	M272 L276 V420 G421 Y423 S432 A436 V440 H441	M272-Y434 HydrophobicContact CG-CD1 4.04Å; M272-Y434 HydrophobicContact CG-CE1 3.9Å; M272-Y434 HydrophobicContact SD-CE1 3.98Å; L276-Y434 HydrophobicContact CD1-CD1 4Å; L276-Y434 HydrophobicContact CD1-CD2 3.54Å; L276-Y434 HydrophobicContact CD1-CE1 4.38Å; L276-Y434 HydrophobicContact CD1-CE2 3.94Å; L276-Y434 HydrophobicContact CD1-CG 3.57Å; L276-Y434 HydrophobicContact CD2-CD2 4.25Å; L276-Y434 HydrophobicContact CD2-CE2 3.93Å; V420-Y434 CarbonylContact C-O 3.58Å; V420-Y434 WeakPolarHBondContact CA-O 3.23Å; G421-Y434 PolarHBondContact N-O 3.17Å; G421-Y434 PolarHBondContact O-N 3.08Å; Y423-Y434 HydrophobicContact CD1-CE2 4.46Å; Y423-Y434 HydrophobicContact CG-CE2 4.47Å; S432-Y434 VanDerWaalsContact CB-CE2 3.43Å; Y434-A436 PolarHBondContact O-N 3.46Å; Y434-V440 CarbonylContact C-O 3.47Å; Y434-V440 WeakPolarHBondContact CA-O 3.39Å; Y434-H441 HydrophobicContact CD1-CB 4.12Å; Y434-H441 HydrophobicContact CE1-CB 3.95Å; Y434-H441 AromaticContact CE1-CD2 3.87Å
435	S	89.6	Confident	90.3	Very high	5 Å²	5	33.2 Å²	33.2	4%	0.035	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	120.2	161.5	163.8	0	0	0	0	108.5	V437 D438 G439 V440	S435-V437 PolarHBondContact O-N 3.37Å; S435-V437 PolarHBondContact OG-N 2.93Å; S435-D438 WeakPolarHBondContact CB-OD1 3.24Å; S435-D438 PolarHBondContact OG-OD1 2.74Å; S435-G439 VanDerWaalsContact O-CA 3.26Å; S435-G439 WeakPolarHBondContact O-CA 3.45Å; S435-G439 PolarHBondContact O-N 3.32Å; S435-V440 PolarHBondContact N-O 3.21Å
436	A	88.6	Confident	90.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.008	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-8.9	-179.9	0	0	0	0	0	112.6	K273 E357 R419 Y434	K273-A436 WeakPolarHBondContact CE-O 3.49Å; K273-A436 PolarHBondContact NZ-O 2.97Å; E357-A436 HydrophobicContact CG-CB 3.96Å; R419-A436 HydrophobicContact CB-CB 3.97Å; R419-A436 HydrophobicContact CG-CB 3.61Å; R419-A436 PolarHBondContact O-N 2.66Å; Y434-A436 PolarHBondContact O-N 3.46Å
437	V	85.1	Confident	89.9	Confident	92 Å²	92	33.7 Å²	33.7	56%	0.558	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-57.7	178.6	-179.5	0	0	0	0	109.7	K273 S435	K273-V437 PolarHBondContact NZ-O 3.47Å; S435-V437 PolarHBondContact O-N 3.37Å; S435-V437 PolarHBondContact OG-N 2.93Å
438	D	83.5	Confident	89.5	Confident	79 Å²	79	34.9 Å²	34.9	42%	0.422	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-2.2	-167.6	56.5	8	0	0	0	114.1	Q268 S435 V440	Q268-D438 PolarHBondContact NE2-O 3.44Å; S435-D438 WeakPolarHBondContact CB-OD1 3.24Å; S435-D438 PolarHBondContact OG-OD1 2.74Å; D438-V440 VanDerWaalsContact C-N 3.28Å; D438-V440 HydrophobicContact CB-CG2 4.45Å; D438-V440 PolarHBondContact O-N 3.45Å; D438-V440 WeakPolarHBondContact OD1-CG2 3.5Å; D438-V440 PolarHBondContact OD1-N 2.99Å
439	G	86.1	Confident	88.8	Confident	3 Å²	3	36 Å²	36	3%	0.031	22%	0.221	C	C	.	.			trans	76.9	11.1	176.7	0	0	0	0	0	114.4	S435	S435-G439 VanDerWaalsContact O-CA 3.26Å; S435-G439 WeakPolarHBondContact O-CA 3.45Å; S435-G439 PolarHBondContact O-N 3.32Å
440	V	87.4	Confident	88.3	Confident	11 Å²	11	36.5 Å²	36.5	7%	0.067	22%	0.222	C	C	.	.			trans	-63.2	133.7	177.3	167.5	0	0	0	0	110.5	V266 Q268 Y434 S435 D438 L442	V266-V440 HydrophobicContact CG1-CB 4.4Å; V266-V440 HydrophobicContact CG1-CG1 3.35Å; V266-V440 HydrophobicContact CG1-CG2 4.23Å; Q268-V440 HydrophobicContact CB-CG2 4.17Å; Q268-V440 HydrophobicContact CG-CG2 3.87Å; Y434-V440 CarbonylContact C-O 3.47Å; Y434-V440 WeakPolarHBondContact CA-O 3.39Å; S435-V440 PolarHBondContact N-O 3.21Å; D438-V440 VanDerWaalsContact C-N 3.28Å; D438-V440 HydrophobicContact CB-CG2 4.45Å; D438-V440 PolarHBondContact O-N 3.45Å; D438-V440 WeakPolarHBondContact OD1-CG2 3.5Å; D438-V440 PolarHBondContact OD1-N 2.99Å; V440-L442 HydrophobicContact CG1-CD2 4.43Å
441	H	88.8	Confident	87.7	Confident	68 Å²	68	38.2 Å²	38.2	32%	0.315	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	130.6	171.9	175	-97.5	0	0	0	110.5	Y434 H443 T444	Y434-H441 HydrophobicContact CD1-CB 4.12Å; Y434-H441 HydrophobicContact CE1-CB 3.95Å; Y434-H441 AromaticContact CE1-CD2 3.87Å; H441-H443 VanDerWaalsContact NE2-C 3.31Å; H441-H443 PolarHBondContact NE2-O 3.24Å; H441-T444 PolarHBondContact NE2-OG1 3.29Å
442	L	87.4	Confident	87.4	Confident	13 Å²	13	43.5 Å²	43.5	7%	0.068	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-50.8	-179.4	-56.2	176.2	0	0	0	111.2	I393 Y400 L417 V420 F433 V440	I393-L442 HydrophobicContact CD1-CD1 3.72Å; Y400-L442 HydrophobicContact CD1-CD2 4.46Å; Y400-L442 HydrophobicContact CD2-CB 4.43Å; Y400-L442 HydrophobicContact CE1-CD2 3.91Å; Y400-L442 HydrophobicContact CE2-CB 3.87Å; Y400-L442 HydrophobicContact CE2-CD2 4.23Å; L417-L442 HydrophobicContact CD1-CD1 3.69Å; L417-L442 HydrophobicContact CD1-CD2 4.06Å; L417-L442 HydrophobicContact CD2-CD2 4.35Å; V420-L442 HydrophobicContact CG2-CD1 4.34Å; F433-L442 HydrophobicContact CB-CB 4.15Å; F433-L442 HydrophobicContact CB-CD1 4.49Å; F433-L442 WeakPolarHBondContact O-CB 3.36Å; F433-L442 PolarHBondContact O-N 3.19Å; V440-L442 HydrophobicContact CG1-CD2 4.43Å
443	H	89.4	Confident	87.4	Confident	51 Å²	51	43 Å²	43	24%	0.236	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	156.9	-178.3	-163.6	66.6	0	0	0	112	I393 P402 S432 F433 H441 F445	I393-H443 HydrophobicContact CG2-CB 4.3Å; P402-H443 HydrophobicContact CB-CB 4.4Å; S432-H443 CarbonylContact C-O 3.53Å; S432-H443 WeakPolarHBondContact CA-O 3.39Å; F433-H443 HydrophobicContact CD2-CB 4.48Å; F433-H443 PolarHBondContact N-O 3.45Å; F433-H443 PolarHBondContact O-N 3.34Å; H441-H443 VanDerWaalsContact NE2-C 3.31Å; H441-H443 PolarHBondContact NE2-O 3.24Å; H443-F445 AromaticContact CD2-CD1 3.84Å; H443-F445 AromaticContact CD2-CD2 3.8Å; H443-F445 AromaticContact CD2-CE1 3.62Å; H443-F445 AromaticContact CD2-CE2 3.56Å; H443-F445 AromaticContact CD2-CG 3.93Å; H443-F445 AromaticContact CD2-CZ 3.48Å; H443-F445 VanDerWaalsContact CD2-CZ 3.48Å; H443-F445 WeakPolarHBondContact CD2-CZ 3.49Å; H443-F445 AromaticContact NE2-CD1 3.53Å; H443-F445 AromaticContact NE2-CE1 3.34Å; H443-F445 VanDerWaalsContact NE2-CE1 3.34Å; H443-F445 WeakPolarHBondContact NE2-CE1 3.5Å; H443-F445 AromaticContact NE2-CZ 3.69Å
444	T	92.9	Very high	87.4	Confident	52 Å²	52	45.2 Å²	45.2	32%	0.319	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	130.8	169.7	-64.6	0	0	0	0	110.6	N430 V431 S432 H441	N430-T444 HydrophobicContact CB-CG2 3.98Å; V431-T444 CarbonylContact O-C 3.48Å; V431-T444 VanDerWaalsContact O-CA 3.31Å; V431-T444 WeakPolarHBondContact O-CA 3.33Å; S432-T444 WeakPolarHBondContact CB-OG1 3.43Å; S432-T444 WeakPolarHBondContact OG-CG2 3.39Å; S432-T444 PolarHBondContact OG-OG1 3.19Å; H441-T444 PolarHBondContact NE2-OG1 3.29Å
445	F	92.6	Very high	87.6	Confident	13 Å²	13	44 Å²	44	6%	0.057	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	147.6	168	-58.6	-79.9	0	0	0	111.7	P386 W391 I393 P402 T404 N430 V431 F433 H443	P386-F445 HydrophobicContact CG-CD1 3.84Å; P386-F445 HydrophobicContact CG-CE1 3.85Å; W391-F445 HydrophobicContact CB-CB 4.2Å; W391-F445 HydrophobicContact CB-CD2 3.78Å; W391-F445 HydrophobicContact CB-CE2 4.38Å; W391-F445 HydrophobicContact CB-CG 4.13Å; W391-F445 AromaticContact CD1-CG 3.65Å; W391-F445 HydrophobicContact CG-CB 4.04Å; W391-F445 HydrophobicContact CG-CD2 4.41Å; W391-F445 HydrophobicContact CG-CG 4.29Å; I393-F445 HydrophobicContact CG2-CE2 4.44Å; P402-F445 HydrophobicContact CB-CE1 4.19Å; P402-F445 HydrophobicContact CB-CE2 4.41Å; P402-F445 HydrophobicContact CB-CZ 3.6Å; T404-F445 HydrophobicContact CG2-CE1 3.88Å; N430-F445 WeakPolarHBondContact CA-O 3.4Å; V431-F445 HydrophobicContact CG1-CB 3.87Å; V431-F445 HydrophobicContact CG1-CD2 4.19Å; V431-F445 PolarHBondContact N-O 2.91Å; V431-F445 PolarHBondContact O-N 3.45Å; F433-F445 HydrophobicContact CD2-CD2 4.45Å; F433-F445 HydrophobicContact CD2-CE2 4.48Å; F433-F445 AromaticContact CE2-CD2 3.66Å; F433-F445 HydrophobicContact CE2-CD2 3.66Å; F433-F445 AromaticContact CE2-CE2 3.79Å; F433-F445 HydrophobicContact CE2-CE2 3.79Å; F433-F445 HydrophobicContact CZ-CD2 4.46Å; F433-F445 HydrophobicContact CZ-CE2 4.41Å; H443-F445 AromaticContact CD2-CD1 3.84Å; H443-F445 AromaticContact CD2-CD2 3.8Å; H443-F445 AromaticContact CD2-CE1 3.62Å; H443-F445 AromaticContact CD2-CE2 3.56Å; H443-F445 AromaticContact CD2-CG 3.93Å; H443-F445 AromaticContact CD2-CZ 3.48Å; H443-F445 VanDerWaalsContact CD2-CZ 3.48Å; H443-F445 WeakPolarHBondContact CD2-CZ 3.49Å; H443-F445 AromaticContact NE2-CD1 3.53Å; H443-F445 AromaticContact NE2-CE1 3.34Å; H443-F445 VanDerWaalsContact NE2-CE1 3.34Å; H443-F445 WeakPolarHBondContact NE2-CE1 3.5Å; H443-F445 AromaticContact NE2-CZ 3.69Å
446	A	91.8	Very high	87.8	Confident	68 Å²	68	43.8 Å²	43.8	56%	0.562	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	130.9	164.5	0	0	0	0	0	110.4	W391	W391-A446 PolarHBondContact NE1-O 3.5Å; W391-A446 VanDerWaalsContact NE1-O 3.08Å
447	C	86.5	Confident	88	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.014	26%	0.257	C	S	.	.			trans	-135.8	23.7	-179.5	63.3	0	0	0	0	112.5	W391 G429 S449 V450 L453	W391-C447 HydrophobicContact CD2-CB 3.78Å; W391-C447 HydrophobicContact CE3-CB 4.1Å; W391-C447 HydrophobicContact CG-CB 4.36Å; W391-C447 HydrophobicContact CH2-CB 4.16Å; W391-C447 HydrophobicContact CZ2-CB 3.82Å; W391-C447 HydrophobicContact CZ3-CB 4.28Å; G429-C447 CarbonylContact O-C 3.57Å; G429-C447 PolarHBondContact O-N 2.69Å; G429-C447 PolarHBondContact O-SG 3.38Å; G429-C447 VanDerWaalsContact O-SG 3.41Å; C447-S449 PolarHBondContact O-N 3.23Å; C447-S449 VanDerWaalsContact O-N 3.13Å; C447-V450 PolarHBondContact O-N 3.49Å; C447-L453 HydrophobicContact CB-CD1 4.46Å
448	S	79.9	Confident	88.3	Confident	98 Å²	98	39.8 Å²	39.8	69%	0.685	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.2	-173.1	55.5	0	0	0	0	115	G429 V450	G429-S448 PolarHBondContact O-N 3.24Å; S448-V450 VanDerWaalsContact C-N 3.28Å; S448-V450 PolarHBondContact O-N 2.85Å
449	S	73.9	Confident	88.5	Confident	108 Å²	108	36 Å²	36	76%	0.755	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-8.9	-179.3	55.3	0	0	0	0	114.4	C447	C447-S449 PolarHBondContact O-N 3.23Å; C447-S449 VanDerWaalsContact O-N 3.13Å
450	V	79.9	Confident	88.5	Confident	15 Å²	15	36.1 Å²	36.1	9%	0.091	21%	0.212	C	C	.	.			trans	-109.3	125.1	-174.2	177	0	0	0	0	112.3	R372 W391 R426 C447 S448 R452 L453	R372-V450 HydrophobicContact CB-CG1 4.42Å; R372-V450 HydrophobicContact CG-CB 4.38Å; R372-V450 HydrophobicContact CG-CG1 3.72Å; R372-V450 HydrophobicContact CG-CG2 3.74Å; W391-V450 HydrophobicContact CH2-CB 4.24Å; W391-V450 HydrophobicContact CH2-CG2 3.48Å; W391-V450 VanDerWaalsContact CH2-CG2 3.48Å; W391-V450 HydrophobicContact CZ2-CG2 4.41Å; W391-V450 HydrophobicContact CZ3-CG2 4.17Å; R426-V450 PolarHBondContact NH2-O 3.13Å; C447-V450 PolarHBondContact O-N 3.49Å; S448-V450 VanDerWaalsContact C-N 3.28Å; S448-V450 PolarHBondContact O-N 2.85Å; V450-R452 WeakPolarHBondContact CG1-O 3.48Å; V450-L453 HydrophobicContact CB-CD2 4.08Å; V450-L453 HydrophobicContact CG1-CD2 3.58Å; V450-L453 HydrophobicContact CG1-CG 3.98Å
451	S	81.4	Confident	88.3	Confident	87 Å²	87	36.4 Å²	36.4	61%	0.608	21%	0.214	S	C	*	.	S	Bend	trans	-76.6	-36.7	-177.7	58.7	0	0	0	0	113.3	R426	R426-S451 PolarHBondContact NH1-O 3.11Å; R426-S451 PolarHBondContact NH2-O 2.93Å
452	R	91.1	Very high	88.2	Confident	112 Å²	112	36.9 Å²	36.9	42%	0.423	22%	0.218	S	C	.	.			trans	-130.5	116	-171.6	-60.1	179	62.4	104.4	-3.8	110.4	V348 T350 E373 V450	V348-R452 HydrophobicContact CG1-CB 4.13Å; T350-R452 HydrophobicContact CG2-CG 4.08Å; E373-R452 HydrophobicContact CB-CB 4.23Å; E373-R452 PolarHBondContact N-O 3.08Å; E373-R452 IonicContact OE1-NH2 3.15Å; E373-R452 IonicContact OE2-CZ 2.75Å; E373-R452 VanDerWaalsContact OE2-CZ 3.28Å; E373-R452 IonicContact OE2-NE 3.65Å; E373-R452 PolarHBondContact OE2-NE 3.43Å; E373-R452 IonicContact OE2-NH2 3.12Å; E373-R452 PolarHBondContact OE2-NH2 2.93Å; V450-R452 WeakPolarHBondContact CG1-O 3.48Å
453	L	93.6	Very high	88.3	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	143.5	-177.4	-68.8	169.6	0	0	0	110.8	F349 V370 C371 W391 L424 C447 V450	F349-L453 PolarHBondContact N-O 3.33Å; F349-L453 PolarHBondContact O-N 2.84Å; F349-L453 VanDerWaalsContact O-N 3.09Å; V370-L453 HydrophobicContact CG2-CD1 4.46Å; V370-L453 HydrophobicContact CG2-CD2 4.45Å; C371-L453 CarbonylContact O-C 3.5Å; C371-L453 VanDerWaalsContact O-CA 3.29Å; C371-L453 WeakPolarHBondContact O-CA 3.26Å; C371-L453 WeakPolarHBondContact O-CD2 3.43Å; W391-L453 HydrophobicContact CE3-CD2 4.03Å; W391-L453 HydrophobicContact CZ3-CD2 3.59Å; L424-L453 HydrophobicContact CD1-CD1 3.75Å; L424-L453 HydrophobicContact CD2-CB 4.41Å; L424-L453 HydrophobicContact CD2-CD1 4.3Å; C447-L453 HydrophobicContact CB-CD1 4.46Å; V450-L453 HydrophobicContact CB-CD2 4.08Å; V450-L453 HydrophobicContact CG1-CD2 3.58Å; V450-L453 HydrophobicContact CG1-CG 3.98Å
454	R	94.5	Very high	88.3	Confident	46 Å²	46	34 Å²	34	17%	0.174	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.8	173.4	-70	-170.2	169	-126.3	3.1	110.5	G345 V348 V370 C371 E373	G345-R454 PolarHBondContact O-NH1 3.4Å; G345-R454 VanDerWaalsContact O-NH1 3.07Å; V348-R454 HydrophobicContact CG2-CG 4.1Å; V348-R454 VanDerWaalsContact CG2-CZ 3.49Å; V348-R454 VanDerWaalsContact CG2-NH2 3.33Å; V370-R454 CarbonylContact C-O 3.55Å; V370-R454 VanDerWaalsContact CA-O 3.24Å; V370-R454 WeakPolarHBondContact CA-O 3.4Å; C371-R454 PolarHBondContact N-O 3.33Å; C371-R454 PolarHBondContact O-N 3.47Å; E373-R454 HydrophobicContact CB-CG 4.44Å; E373-R454 IonicContact OE1-CZ 2.71Å; E373-R454 IonicContact OE1-NE 3.71Å; E373-R454 PolarHBondContact OE1-NE 3.16Å; E373-R454 VanDerWaalsContact OE1-NE 3.15Å; E373-R454 IonicContact OE1-NH2 3.96Å; E373-R454 PolarHBondContact OE1-NH2 3Å
455	P	95.7	Very high	88.3	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	139.7	166	-22.9	32.5	0	0	0	111.1	V283 L344 G345 N347 F349 W356 G369 F457	V283-P455 HydrophobicContact CG1-CB 3.88Å; V283-P455 HydrophobicContact CG1-CG 3.67Å; V283-P455 HydrophobicContact CG2-CG 4.2Å; L344-P455 CarbonylContact C-O 2.97Å; L344-P455 WeakPolarHBondContact CA-O 3.18Å; G345-P455 PolarHBondContact N-O 3.22Å; N347-P455 HydrophobicContact CB-CG 4.48Å; N347-P455 VanDerWaalsContact O-CD 3.23Å; N347-P455 WeakPolarHBondContact O-CD 3.38Å; F349-P455 HydrophobicContact CE2-CG 3.78Å; F349-P455 HydrophobicContact CZ-CG 4.41Å; W356-P455 HydrophobicContact CZ2-CB 4.06Å; W356-P455 HydrophobicContact CZ2-CG 4.22Å; G369-P455 WeakPolarHBondContact O-CA 3.47Å; P455-F457 HydrophobicContact CB-CE2 3.63Å; P455-F457 HydrophobicContact CB-CZ 3.78Å
456	F	93.9	Very high	88.3	Confident	1 Å²	1	31.8 Å²	31.8	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.4	-178.9	175.8	-96.2	0	0	0	110.2	F337 C342 L344 V368 G369 C371 M384 I390 A392 W458	F337-F456 HydrophobicContact CZ-CE2 4.47Å; C342-F456 HydrophobicContact CB-CE2 4.26Å; C342-F456 VanDerWaalsContact SG-CZ 3.56Å; L344-F456 HydrophobicContact CD2-CD2 3.94Å; V368-F456 WeakPolarHBondContact CA-O 3.37Å; G369-F456 PolarHBondContact N-O 3.33Å; G369-F456 PolarHBondContact O-N 3.06Å; C371-F456 HydrophobicContact CB-CB 4.05Å; C371-F456 HydrophobicContact CB-CD2 4.15Å; C371-F456 HydrophobicContact CB-CG 4.34Å; M384-F456 HydrophobicContact CE-CZ 3.96Å; M384-F456 HydrophobicContact SD-CE1 4.12Å; M384-F456 HydrophobicContact SD-CZ 3.75Å; I390-F456 HydrophobicContact CD1-CE2 4.29Å; I390-F456 HydrophobicContact CD1-CZ 4.4Å; I390-F456 HydrophobicContact CG2-CD1 3.96Å; I390-F456 HydrophobicContact CG2-CE1 3.93Å; I390-F456 HydrophobicContact CG2-CG 4.27Å; I390-F456 HydrophobicContact CG2-CZ 4.23Å; A392-F456 HydrophobicContact CB-CD1 4.03Å; A392-F456 HydrophobicContact CB-CE1 4.47Å; F456-W458 HydrophobicContact CE1-CB 4.03Å; F456-W458 HydrophobicContact CZ-CB 4.15Å
457	F	92.6	Very high	88.3	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	132.9	178.5	-49.7	-86.3	0	0	0	110.4	V283 L285 C342 V343 V358 A367 V368 P455 L465 I467	V283-F457 HydrophobicContact CG1-CE2 4.26Å; V283-F457 HydrophobicContact CG1-CZ 3.93Å; L285-F457 HydrophobicContact CD2-CD2 3.42Å; L285-F457 VanDerWaalsContact CD2-CD2 3.42Å; L285-F457 HydrophobicContact CD2-CE2 3.44Å; L285-F457 VanDerWaalsContact CD2-CE2 3.44Å; L285-F457 HydrophobicContact CD2-CG 4.09Å; L285-F457 HydrophobicContact CD2-CZ 4.14Å; C342-F457 WeakPolarHBondContact CA-O 3.06Å; V343-F457 HydrophobicContact CG1-CB 3.93Å; V343-F457 HydrophobicContact CG1-CD2 4.34Å; V343-F457 PolarHBondContact N-O 3.33Å; V343-F457 WeakPolarHBondContact O-CD2 3.47Å; V343-F457 PolarHBondContact O-N 3.38Å; V343-F457 VanDerWaalsContact O-N 3.11Å; V358-F457 HydrophobicContact CG1-CE1 4.48Å; V358-F457 HydrophobicContact CG2-CE1 3.87Å; A367-F457 WeakPolarHBondContact O-CA 3.4Å; V368-F457 HydrophobicContact CB-CD1 4.49Å; V368-F457 HydrophobicContact CG1-CD1 4.06Å; P455-F457 HydrophobicContact CB-CE2 3.63Å; P455-F457 HydrophobicContact CB-CZ 3.78Å; F457-L465 HydrophobicContact CD1-CD1 4.27Å; F457-L465 HydrophobicContact CD1-CD2 4.09Å; F457-L465 HydrophobicContact CE1-CD2 4.44Å; F457-I467 HydrophobicContact CE1-CD1 4.01Å; F457-I467 HydrophobicContact CE1-CG1 4.3Å; F457-I467 HydrophobicContact CE2-CD1 4.25Å; F457-I467 HydrophobicContact CZ-CD1 3.63Å; F457-I467 HydrophobicContact CZ-CG1 4.38Å
458	W	90.3	Very high	88.4	Confident	9 Å²	9	29.8 Å²	29.8	3%	0.034	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.5	172	175.2	91.2	0	0	0	110.2	F315 C342 E365 V366 A367 M384 F456	F315-W458 HydrophobicContact CB-CH2 4.31Å; F315-W458 HydrophobicContact CD2-CE3 4.06Å; F315-W458 AromaticContact CD2-CH2 3.39Å; F315-W458 HydrophobicContact CD2-CH2 3.39Å; F315-W458 AromaticContact CD2-CZ2 3.87Å; F315-W458 HydrophobicContact CD2-CZ2 3.87Å; F315-W458 AromaticContact CD2-CZ3 3.47Å; F315-W458 HydrophobicContact CD2-CZ3 3.47Å; F315-W458 VanDerWaalsContact CD2-CZ3 3.47Å; F315-W458 HydrophobicContact CE2-CD2 4.34Å; F315-W458 HydrophobicContact CE2-CE3 4.02Å; F315-W458 HydrophobicContact CE2-CH2 4.12Å; F315-W458 HydrophobicContact CE2-CZ2 4.38Å; F315-W458 AromaticContact CE2-CZ3 3.91Å; F315-W458 HydrophobicContact CE2-CZ3 3.91Å; F315-W458 HydrophobicContact CG-CH2 4.33Å; F315-W458 HydrophobicContact CG-CZ3 4.47Å; C342-W458 VanDerWaalsContact SG-CD1 3.54Å; E365-W458 HydrophobicContact CB-CZ3 4.17Å; V366-W458 WeakPolarHBondContact CA-O 3.13Å; A367-W458 HydrophobicContact CB-CB 4.1Å; A367-W458 HydrophobicContact CB-CE3 4.14Å; A367-W458 PolarHBondContact N-O 3.18Å; A367-W458 PolarHBondContact O-N 3.4Å; M384-W458 HydrophobicContact CE-CG 4.2Å; F456-W458 HydrophobicContact CE1-CB 4.03Å; F456-W458 HydrophobicContact CZ-CB 4.15Å
459	L	89.5	Confident	88.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124.3	-175.8	-65.5	94.4	0	0	0	111.7	L294 V303 N305 P341 A463 L465	L294-L459 HydrophobicContact CD1-CD1 4.46Å; L294-L459 HydrophobicContact CD2-CB 4.4Å; L294-L459 HydrophobicContact CD2-CD1 4.23Å; V303-L459 HydrophobicContact CG1-CD1 4.07Å; V303-L459 HydrophobicContact CG1-CD2 4Å; V303-L459 HydrophobicContact CG2-CD1 4.27Å; V303-L459 HydrophobicContact CG2-CD2 4.39Å; N305-L459 HydrophobicContact CB-CB 4.12Å; N305-L459 PolarHBondContact ND2-O 3.45Å; P341-L459 VanDerWaalsContact CB-O 3.29Å; P341-L459 WeakPolarHBondContact CB-O 3.45Å; P341-L459 WeakPolarHBondContact CG-O 3.46Å; P341-L459 PolarHBondContact O-N 3.29Å; L459-A463 HydrophobicContact CB-CB 4.34Å; L459-A463 WeakPolarHBondContact CD2-O 3.47Å; L459-L465 HydrophobicContact CD2-CB 4Å
460	S	85.4	Confident	89.2	Confident	5 Å²	5	25.8 Å²	25.8	4%	0.035	14%	0.141	C	C	.	.			trans	-61.5	162.6	168.2	61.7	0	0	0	0	111.9	N305 E365 L462 A463	N305-S460 WeakPolarHBondContact CB-O 3.48Å; N305-S460 PolarHBondContact ND2-O 2.9Å; N305-S460 VanDerWaalsContact ND2-O 3.16Å; E365-S460 PolarHBondContact N-OG 3.35Å; E365-S460 VanDerWaalsContact O-CB 3.24Å; E365-S460 WeakPolarHBondContact O-CB 3.41Å; E365-S460 PolarHBondContact O-N 2.83Å; E365-S460 PolarHBondContact O-OG 2.79Å; S460-L462 PolarHBondContact O-N 3.46Å; S460-A463 VanDerWaalsContact O-CB 3.23Å; S460-A463 WeakPolarHBondContact O-CB 3.48Å; S460-A463 PolarHBondContact O-N 3.39Å; S460-A463 WeakPolarHBondContact OG-CB 3.37Å
461	P	84.2	Confident	88.9	Confident	16 Å²	16	29 Å²	29	10%	0.104	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	136.7	176.4	-28.6	37.2	0	0	0	112	A307 W312 A463	A307-P461 HydrophobicContact CB-CB 4.44Å; W312-P461 HydrophobicContact CB-CG 3.65Å; W312-P461 HydrophobicContact CG-CG 4.29Å; P461-A463 PolarHBondContact O-N 3.28Å; P461-A463 VanDerWaalsContact O-N 3.09Å
462	L	85.8	Confident	87.4	Confident	79 Å²	79	32 Å²	32	41%	0.414	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	-7.4	-177.6	-51.4	174.8	0	0	0	115.9	N305 A307 A309 L364 S460	N305-L462 WeakPolarHBondContact O-CA 3.49Å; N305-L462 PolarHBondContact O-N 3.27Å; A307-L462 WeakPolarHBondContact O-CD2 3.18Å; A309-L462 HydrophobicContact CB-CD1 4.23Å; L364-L462 VanDerWaalsContact CD1-C 3.41Å; L364-L462 HydrophobicContact CD1-CB 3.71Å; S460-L462 PolarHBondContact O-N 3.46Å
463	A	88.6	Confident	85.6	Confident	1 Å²	1	35 Å²	35	1%	0.008	18%	0.182	C	C	.	.			trans	-69.9	148.3	179.7	0	0	0	0	0	112.1	K304 N305 L364 V366 L459 S460 P461	K304-A463 WeakPolarHBondContact CA-O 3.42Å; N305-A463 PolarHBondContact N-O 3.42Å; L364-A463 HydrophobicContact CB-CB 3.69Å; L364-A463 HydrophobicContact CD1-CB 4.27Å; V366-A463 HydrophobicContact CG1-CB 4.02Å; L459-A463 HydrophobicContact CB-CB 4.34Å; L459-A463 WeakPolarHBondContact CD2-O 3.47Å; S460-A463 VanDerWaalsContact O-CB 3.23Å; S460-A463 WeakPolarHBondContact O-CB 3.48Å; S460-A463 PolarHBondContact O-N 3.39Å; S460-A463 WeakPolarHBondContact OG-CB 3.37Å; P461-A463 PolarHBondContact O-N 3.28Å; P461-A463 VanDerWaalsContact O-N 3.09Å
464	S	90.8	Very high	82.7	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.007	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.4	172.8	66.6	0	0	0	0	113.6	Y302 V303 R361 D362	Y302-S464 WeakPolarHBondContact OH-CB 3.14Å; Y302-S464 PolarHBondContact OH-OG 2.6Å; V303-S464 VanDerWaalsContact O-CA 3.26Å; V303-S464 WeakPolarHBondContact O-CA 3.33Å; V303-S464 WeakPolarHBondContact O-CB 3.41Å; R361-S464 WeakPolarHBondContact CB-OG 3.23Å; R361-S464 PolarHBondContact N-O 3.22Å; D362-S464 VanDerWaalsContact CG-OG 3.24Å; D362-S464 PolarHBondContact OD1-OG 3.27Å; D362-S464 VanDerWaalsContact OD2-CB 3.3Å; D362-S464 WeakPolarHBondContact OD2-CB 3.35Å; D362-S464 PolarHBondContact OD2-N 2.78Å; D362-S464 PolarHBondContact OD2-OG 3.32Å
465	L	91.4	Very high	82.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.7	-170.8	180	152.6	0	0	0	110	Y302 V303 V358 E359 V366 V368 F457 L459 I467	Y302-L465 WeakPolarHBondContact CA-O 3.46Å; V303-L465 HydrophobicContact CG1-CB 4.09Å; V303-L465 HydrophobicContact CG1-CD2 4.11Å; V303-L465 PolarHBondContact N-O 2.84Å; V303-L465 PolarHBondContact O-N 3.02Å; V358-L465 HydrophobicContact CG1-CD1 3.4Å; V358-L465 HydrophobicContact CG1-CD2 3.39Å; V358-L465 HydrophobicContact CG1-CG 3.3Å; E359-L465 WeakPolarHBondContact O-CA 3.3Å; V366-L465 HydrophobicContact CB-CD1 4.34Å; V366-L465 HydrophobicContact CG1-CD1 4.49Å; V368-L465 HydrophobicContact CG1-CD1 3.73Å; F457-L465 HydrophobicContact CD1-CD1 4.27Å; F457-L465 HydrophobicContact CD1-CD2 4.09Å; F457-L465 HydrophobicContact CE1-CD2 4.44Å; L459-L465 HydrophobicContact CD2-CB 4Å; L465-I467 HydrophobicContact CD2-CG1 4.14Å
466	V	92.4	Very high	81.4	Confident	20 Å²	20	51.1 Å²	51.1	12%	0.121	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.7	177.7	178	0	0	0	0	110.1	R301 Y302 E359 R361 P468	R301-V466 CarbonylContact O-C 3.55Å; R301-V466 WeakPolarHBondContact O-CA 3.41Å; Y302-V466 HydrophobicContact CD2-CG2 3.43Å; Y302-V466 VanDerWaalsContact CD2-CG2 3.43Å; Y302-V466 HydrophobicContact CE2-CG2 4.18Å; Y302-V466 HydrophobicContact CG-CG2 4.3Å; E359-V466 PolarHBondContact N-O 3.34Å; E359-V466 PolarHBondContact O-N 3.35Å; R361-V466 HydrophobicContact CG-CG2 3.75Å; V466-P468 WeakPolarHBondContact O-CD 3.47Å
467	I	92.5	Very high	80.7	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.021	27%	0.27	C	S	.	.			trans	-96.6	107.3	167.8	-54.1	174.2	0	0	0	107.2	V283 L285 R301 F457 L465	V283-I467 HydrophobicContact CB-CD1 4.33Å; V283-I467 HydrophobicContact CB-CG2 4.24Å; V283-I467 HydrophobicContact CG1-CD1 4Å; L285-I467 HydrophobicContact CD2-CD1 3.81Å; L285-I467 HydrophobicContact CG-CD1 3.99Å; R301-I467 PolarHBondContact O-N 3.06Å; F457-I467 HydrophobicContact CE1-CD1 4.01Å; F457-I467 HydrophobicContact CE1-CG1 4.3Å; F457-I467 HydrophobicContact CE2-CD1 4.25Å; F457-I467 HydrophobicContact CZ-CD1 3.63Å; F457-I467 HydrophobicContact CZ-CG1 4.38Å; L465-I467 HydrophobicContact CD2-CG1 4.14Å
468	P	89.6	Confident	80	Confident	23 Å²	23	57 Å²	57	15%	0.149	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-61.3	149.4	-179.9	-22.3	35.6	0	0	0	111.8	E357 E359 V466	E357-P468 HydrophobicContact CB-CG 4.29Å; E357-P468 WeakPolarHBondContact O-CD 3.49Å; E359-P468 HydrophobicContact CB-CG 4.37Å; V466-P468 WeakPolarHBondContact O-CD 3.47Å
469	P	85.3	Confident	79.3	Confident	74 Å²	74	60 Å²	60	48%	0.481	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-54.9	153	170.3	14.5	-23	0	0	0	112	T471	P469-T471 PolarHBondContact O-N 3.45Å
470	V	84.6	Confident	78.7	Confident	49 Å²	49	64 Å²	64	30%	0.297	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-60.7	123.6	162.1	-175.6	0	0	0	0	107.4	Q280 A282 D472	Q280-V470 HydrophobicContact CB-CG1 4.24Å; Q280-V470 HydrophobicContact CG-CG1 4.08Å; Q280-V470 HydrophobicContact CG-CG2 4.27Å; A282-V470 HydrophobicContact CB-CG2 3.88Å; V470-D472 PolarHBondContact O-N 3.33Å
471	T	74.8	Confident	78.2	Confident	81 Å²	81	68.2 Å²	68.2	50%	0.497	34%	0.342	S	S	.	.			trans	-77.1	107.7	173.1	44.7	0	0	0	0	107.7	Q280 P469 R473	Q280-T471 PolarHBondContact OE1-OG1 3.09Å; P469-T471 PolarHBondContact O-N 3.45Å; T471-R473 PolarHBondContact O-N 2.92Å
472	D	49	Very low	77.7	Confident	151 Å²	151	72.2 Å²	72.2	81%	0.807	36%	0.36	S	S	*	.			trans	-55.9	129.5	173.5	-80.1	-29.4	0	0	0	109.8	V470 K474	V470-D472 PolarHBondContact O-N 3.33Å; D472-K474 PolarHBondContact O-N 3.34Å
473	R	52.5	Low	77	Confident	175 Å²	175	71.7 Å²	71.7	66%	0.66	36%	0.356	S	S	*	.			trans	-72.3	116.2	167	-77.2	-176.5	171.6	-167.8	-7	107.7	T471	T471-R473 PolarHBondContact O-N 2.92Å
474	K	32.9	Very low	76	Confident	281 Å²	281	78.1 Å²	78.1	100%	1.222	39%	0.387	S	S	*	.			trans	-70.6	0	155.2	-85.3	-173.4	176	-179.8	0	110.2	D472	D472-K474 PolarHBondContact O-N 3.34Å

Retrieved 474 of 474 residues in 130.1 ms (Link to these results)

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