A0A077Z7A2_TRITR Loading...

Structural maintenance of chromosomes protein 6

AlphaFold DB , UniProt , Accession A0A077Z7A2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 234 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	61.5	Low	86.8	Confident	178 Å²	178	116.5 Å²	116.5	88%	0.877	56%	0.556	S	S	*	*				0	-33	0	-72.5	-54.8	-133.9	0	0	115.6	R5	M1-R5 PolarHBondContact O-N 2.7Å
2	G	84.6	Confident	87.2	Confident	54 Å²	54	115.3 Å²	115.3	56%	0.557	56%	0.555	S	S	*	*	H	α-helix	trans	-61	-45.5	-175.4	0	0	0	0	0	116.1	I4 R5 E6	G2-I4 VanDerWaalsContact C-N 3.32Å; G2-I4 PolarHBondContact O-N 3.07Å; G2-R5 PolarHBondContact O-N 3.25Å; G2-E6 PolarHBondContact O-N 2.7Å; G2-E6 VanDerWaalsContact O-N 3.11Å
3	R	87.5	Confident	87.2	Confident	232 Å²	232	113.4 Å²	113.4	88%	0.875	55%	0.549	S	S	*	.	H	α-helix	trans	-59.5	-37.8	-179.3	-78	-174.5	-103.5	173.9	-4.9	113.8	E6 L7	R3-E6 PolarHBondContact O-N 3.31Å; R3-L7 WeakPolarHBondContact O-CB 3.36Å; R3-L7 PolarHBondContact O-N 3.1Å
4	I	89.5	Confident	86.9	Confident	105 Å²	105	112.5 Å²	112.5	54%	0.538	54%	0.541	S	S	.	.	H	α-helix	trans	-68.5	-43.4	179.5	-65.1	171.4	0	0	0	110.6	G2 E6 L7 I8	G2-I4 VanDerWaalsContact C-N 3.32Å; G2-I4 PolarHBondContact O-N 3.07Å; I4-E6 VanDerWaalsContact C-N 3.31Å; I4-E6 PolarHBondContact O-N 2.95Å; I4-L7 PolarHBondContact O-N 3.1Å; I4-I8 HydrophobicContact CG2-CD1 3.83Å; I4-I8 HydrophobicContact CG2-CG1 4.42Å; I4-I8 VanDerWaalsContact O-CG1 3.29Å; I4-I8 WeakPolarHBondContact O-CG1 3.33Å; I4-I8 PolarHBondContact O-N 3.44Å
5	R	89.9	Confident	86.7	Confident	180 Å²	180	109.2 Å²	109.2	68%	0.679	53%	0.53	S	S	*	.	H	α-helix	trans	-62.1	-40.6	176.7	-66.1	-171	-149.4	161.1	4.6	111.7	M1 G2 I8 R9	M1-R5 PolarHBondContact O-N 2.7Å; G2-R5 PolarHBondContact O-N 3.25Å; R5-I8 PolarHBondContact O-N 3.49Å; R5-R9 WeakPolarHBondContact O-CB 3.26Å; R5-R9 PolarHBondContact O-N 3.36Å
6	E	90.2	Very high	86.3	Confident	88 Å²	88	106.4 Å²	106.4	41%	0.411	53%	0.525	S	S	.	.	H	α-helix	trans	-67.5	-37.4	178.2	-170.7	55.2	-155.1	0	0	112.2	G2 R3 I4 R9 T10	G2-E6 PolarHBondContact O-N 2.7Å; G2-E6 VanDerWaalsContact O-N 3.11Å; R3-E6 PolarHBondContact O-N 3.31Å; I4-E6 VanDerWaalsContact C-N 3.31Å; I4-E6 PolarHBondContact O-N 2.95Å; E6-R9 PolarHBondContact O-N 3.03Å; E6-R9 IonicContact OE1-CZ 3.88Å; E6-R9 VanDerWaalsContact OE1-CZ 3.31Å; E6-R9 IonicContact OE1-NE 3.25Å; E6-R9 PolarHBondContact OE1-NE 3.16Å; E6-R9 VanDerWaalsContact OE1-NE 3.07Å; E6-R9 IonicContact OE1-NH2 2.79Å; E6-R9 PolarHBondContact OE1-NH2 3.28Å; E6-R9 IonicContact OE2-CZ 2.7Å; E6-R9 IonicContact OE2-NE 3.91Å; E6-R9 PolarHBondContact OE2-NE 3.47Å; E6-R9 IonicContact OE2-NH2 2.95Å; E6-T10 WeakPolarHBondContact O-CB 3.38Å; E6-T10 PolarHBondContact O-N 2.97Å; E6-T10 PolarHBondContact O-OG1 2.8Å
7	L	89.6	Confident	85.8	Confident	104 Å²	104	103.5 Å²	103.5	55%	0.545	52%	0.518	S	S	.	.	H	α-helix	trans	-64.7	-43.3	173.2	-175.6	63.1	0	0	0	111.8	R3 I4 T10 N11	R3-L7 WeakPolarHBondContact O-CB 3.36Å; R3-L7 PolarHBondContact O-N 3.1Å; I4-L7 PolarHBondContact O-N 3.1Å; L7-T10 PolarHBondContact O-N 3.03Å; L7-N11 WeakPolarHBondContact O-CB 3.38Å; L7-N11 PolarHBondContact O-N 3.42Å
8	I	92.1	Very high	85.1	Confident	91 Å²	91	104 Å²	104	47%	0.467	52%	0.522	S	S	.	.	H	α-helix	trans	-61.1	-46.3	175.3	-69.3	166.7	0	0	0	110.2	I4 R5 T10 N11 N12	I4-I8 HydrophobicContact CG2-CD1 3.83Å; I4-I8 HydrophobicContact CG2-CG1 4.42Å; I4-I8 VanDerWaalsContact O-CG1 3.29Å; I4-I8 WeakPolarHBondContact O-CG1 3.33Å; I4-I8 PolarHBondContact O-N 3.44Å; R5-I8 PolarHBondContact O-N 3.49Å; I8-T10 VanDerWaalsContact C-N 3.34Å; I8-T10 PolarHBondContact O-N 3.25Å; I8-N11 PolarHBondContact O-N 2.81Å; I8-N12 WeakPolarHBondContact O-CB 3.47Å; I8-N12 VanDerWaalsContact O-CG 3.25Å; I8-N12 PolarHBondContact O-N 3.44Å; I8-N12 PolarHBondContact O-ND2 2.93Å
9	R	91	Very high	84.8	Confident	132 Å²	132	108.7 Å²	108.7	50%	0.498	53%	0.533	S	S	.	.	H	α-helix	trans	-57.4	-47.9	176.4	-167.6	-173.7	77.7	84.3	3.2	111	R5 E6 N12 L13	R5-R9 WeakPolarHBondContact O-CB 3.26Å; R5-R9 PolarHBondContact O-N 3.36Å; E6-R9 PolarHBondContact O-N 3.03Å; E6-R9 IonicContact OE1-CZ 3.88Å; E6-R9 VanDerWaalsContact OE1-CZ 3.31Å; E6-R9 IonicContact OE1-NE 3.25Å; E6-R9 PolarHBondContact OE1-NE 3.16Å; E6-R9 VanDerWaalsContact OE1-NE 3.07Å; E6-R9 IonicContact OE1-NH2 2.79Å; E6-R9 PolarHBondContact OE1-NH2 3.28Å; E6-R9 IonicContact OE2-CZ 2.7Å; E6-R9 IonicContact OE2-NE 3.91Å; E6-R9 PolarHBondContact OE2-NE 3.47Å; E6-R9 IonicContact OE2-NH2 2.95Å; R9-N12 PolarHBondContact O-N 2.82Å; R9-L13 WeakPolarHBondContact O-CG 3.16Å; R9-L13 PolarHBondContact O-N 3.43Å
10	T	90.3	Very high	84.2	Confident	46 Å²	46	107.6 Å²	107.6	28%	0.282	54%	0.536	S	S	.	.	H	α-helix	trans	-62.8	-43.8	178.7	-58.3	0	0	0	0	111.9	E6 L7 I8 L13 K14	E6-T10 WeakPolarHBondContact O-CB 3.38Å; E6-T10 PolarHBondContact O-N 2.97Å; E6-T10 PolarHBondContact O-OG1 2.8Å; L7-T10 PolarHBondContact O-N 3.03Å; I8-T10 VanDerWaalsContact C-N 3.34Å; I8-T10 PolarHBondContact O-N 3.25Å; T10-L13 PolarHBondContact O-N 2.9Å; T10-K14 HydrophobicContact CG2-CD 4.4Å; T10-K14 WeakPolarHBondContact O-CG 3.3Å; T10-K14 PolarHBondContact O-N 3.28Å
11	N	88.8	Confident	83.6	Confident	72 Å²	72	103.2 Å²	103.2	39%	0.385	52%	0.516	S	S	.	.	H	α-helix	trans	-67.2	-38.9	178.1	-74.9	-12.9	0	0	0	111.8	L7 I8 K14 V15	L7-N11 WeakPolarHBondContact O-CB 3.38Å; L7-N11 PolarHBondContact O-N 3.42Å; I8-N11 PolarHBondContact O-N 2.81Å; N11-K14 WeakPolarHBondContact O-CB 3.38Å; N11-K14 PolarHBondContact O-N 3.47Å; N11-V15 VanDerWaalsContact O-CG2 3.28Å; N11-V15 WeakPolarHBondContact O-CG2 3.36Å; N11-V15 PolarHBondContact O-N 2.87Å
12	N	91.3	Very high	84	Confident	102 Å²	102	97.1 Å²	97.1	55%	0.545	49%	0.494	S	S	.	.	H	α-helix	trans	-63.7	-40.8	175.1	-73.7	-19.5	0	0	0	111.8	I8 R9 V15 S16	I8-N12 WeakPolarHBondContact O-CB 3.47Å; I8-N12 VanDerWaalsContact O-CG 3.25Å; I8-N12 PolarHBondContact O-N 3.44Å; I8-N12 PolarHBondContact O-ND2 2.93Å; R9-N12 PolarHBondContact O-N 2.82Å; N12-V15 PolarHBondContact O-N 3.43Å; N12-S16 PolarHBondContact O-N 3.34Å; N12-S16 PolarHBondContact O-OG 2.96Å
13	L	87.6	Confident	83.3	Confident	90 Å²	90	102 Å²	102	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-39.4	173	-71.3	173	0	0	0	112.2	R9 T10 S16 S17	R9-L13 WeakPolarHBondContact O-CG 3.16Å; R9-L13 PolarHBondContact O-N 3.43Å; T10-L13 PolarHBondContact O-N 2.9Å; L13-S16 WeakPolarHBondContact CA-OG 3.41Å; L13-S16 PolarHBondContact O-OG 3.34Å; L13-S17 WeakPolarHBondContact O-CB 3.29Å; L13-S17 PolarHBondContact O-N 3.04Å; L13-S17 PolarHBondContact O-OG 3.02Å
14	K	82.6	Confident	83	Confident	101 Å²	101	93 Å²	93	44%	0.439	48%	0.477	S	S	.	.	H	α-helix	trans	-63.6	-46.9	173.5	-73.8	173.9	179.5	178.9	0	111	T10 N11 S16 S17 L18	T10-K14 HydrophobicContact CG2-CD 4.4Å; T10-K14 WeakPolarHBondContact O-CG 3.3Å; T10-K14 PolarHBondContact O-N 3.28Å; N11-K14 WeakPolarHBondContact O-CB 3.38Å; N11-K14 PolarHBondContact O-N 3.47Å; K14-S16 PolarHBondContact O-N 3.41Å; K14-S17 WeakPolarHBondContact CA-OG 3.41Å; K14-S17 PolarHBondContact O-N 3.16Å; K14-S17 PolarHBondContact O-OG 2.95Å; K14-L18 VanDerWaalsContact O-CG 3.3Å; K14-L18 WeakPolarHBondContact O-CG 3.42Å; K14-L18 PolarHBondContact O-N 3.29Å
15	V	83.6	Confident	82.5	Confident	63 Å²	63	94.7 Å²	94.7	38%	0.382	48%	0.476	S	S	.	.	H	α-helix	trans	-61.4	-44	178.2	170.3	0	0	0	0	111.4	N11 N12 L18 R19	N11-V15 VanDerWaalsContact O-CG2 3.28Å; N11-V15 WeakPolarHBondContact O-CG2 3.36Å; N11-V15 PolarHBondContact O-N 2.87Å; N12-V15 PolarHBondContact O-N 3.43Å; V15-L18 PolarHBondContact O-N 3.3Å; V15-R19 HydrophobicContact CG1-CG 4.45Å; V15-R19 WeakPolarHBondContact O-CB 3.29Å; V15-R19 VanDerWaalsContact O-CG 3.32Å; V15-R19 WeakPolarHBondContact O-CG 3.19Å; V15-R19 PolarHBondContact O-N 3.11Å
16	S	81.6	Confident	82.1	Confident	64 Å²	64	88.1 Å²	88.1	45%	0.448	45%	0.454	S	S	.	.	H	α-helix	trans	-64	-41.7	176.9	62	0	0	0	0	111.6	N12 L13 K14 L18 R19 S20	N12-S16 PolarHBondContact O-N 3.34Å; N12-S16 PolarHBondContact O-OG 2.96Å; L13-S16 WeakPolarHBondContact CA-OG 3.41Å; L13-S16 PolarHBondContact O-OG 3.34Å; K14-S16 PolarHBondContact O-N 3.41Å; S16-L18 PolarHBondContact O-N 3.04Å; S16-R19 PolarHBondContact O-N 3.39Å; S16-S20 PolarHBondContact O-N 3.39Å; S16-S20 PolarHBondContact O-OG 3.43Å
17	S	76.4	Confident	81.6	Confident	57 Å²	57	84.8 Å²	84.8	40%	0.399	44%	0.442	S	S	.	.	H	α-helix	trans	-63.8	-37	175.8	73.2	0	0	0	0	113.3	L13 K14 S20 S21	L13-S17 WeakPolarHBondContact O-CB 3.29Å; L13-S17 PolarHBondContact O-N 3.04Å; L13-S17 PolarHBondContact O-OG 3.02Å; K14-S17 WeakPolarHBondContact CA-OG 3.41Å; K14-S17 PolarHBondContact O-N 3.16Å; K14-S17 PolarHBondContact O-OG 2.95Å; S17-S20 WeakPolarHBondContact CA-OG 3.33Å; S17-S20 PolarHBondContact O-OG 2.74Å; S17-S21 WeakPolarHBondContact O-CB 3.49Å; S17-S21 PolarHBondContact O-N 3.39Å; S17-S21 VanDerWaalsContact O-N 3.13Å; S17-S21 PolarHBondContact O-OG 3.27Å
18	L	74.1	Confident	81.1	Confident	113 Å²	113	87.3 Å²	87.3	59%	0.592	44%	0.444	S	S	*	.	H	α-helix	trans	-69.4	-40.9	176	-72.5	171	0	0	0	111.1	K14 V15 S16 S21 A22	K14-L18 VanDerWaalsContact O-CG 3.3Å; K14-L18 WeakPolarHBondContact O-CG 3.42Å; K14-L18 PolarHBondContact O-N 3.29Å; V15-L18 PolarHBondContact O-N 3.3Å; S16-L18 PolarHBondContact O-N 3.04Å; L18-S21 PolarHBondContact O-N 3.48Å; L18-A22 PolarHBondContact O-N 3.47Å
19	R	79.2	Confident	80.6	Confident	193 Å²	193	84.9 Å²	84.9	73%	0.728	43%	0.43	S	S	*	.	H	α-helix	trans	-64.5	-43.2	176.2	-74.2	178.7	179.1	-166.2	-0.3	111.9	V15 S16 S21 A22	V15-R19 HydrophobicContact CG1-CG 4.45Å; V15-R19 WeakPolarHBondContact O-CB 3.29Å; V15-R19 VanDerWaalsContact O-CG 3.32Å; V15-R19 WeakPolarHBondContact O-CG 3.19Å; V15-R19 PolarHBondContact O-N 3.11Å; S16-R19 PolarHBondContact O-N 3.39Å; R19-S21 PolarHBondContact O-N 3.45Å; R19-A22 WeakPolarHBondContact O-CB 3.46Å; R19-A22 PolarHBondContact O-N 2.9Å; R19-A22 VanDerWaalsContact O-N 3.13Å
20	S	73.7	Confident	80.1	Confident	86 Å²	86	79.8 Å²	79.8	60%	0.601	42%	0.419	S	S	*	.	H	α-helix	trans	-65.9	-23.9	174.9	59.2	0	0	0	0	113	S16 S17 A22	S16-S20 PolarHBondContact O-N 3.39Å; S16-S20 PolarHBondContact O-OG 3.43Å; S17-S20 WeakPolarHBondContact CA-OG 3.33Å; S17-S20 PolarHBondContact O-OG 2.74Å; S20-A22 VanDerWaalsContact C-N 3.27Å
21	S	71.8	Confident	79.7	Confident	17 Å²	17	82.8 Å²	82.8	12%	0.119	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	2.1	176.3	-54.3	0	0	0	0	113.3	S17 L18 R19 D23 A27 R28	S17-S21 WeakPolarHBondContact O-CB 3.49Å; S17-S21 PolarHBondContact O-N 3.39Å; S17-S21 VanDerWaalsContact O-N 3.13Å; S17-S21 PolarHBondContact O-OG 3.27Å; L18-S21 PolarHBondContact O-N 3.48Å; R19-S21 PolarHBondContact O-N 3.45Å; S21-D23 VanDerWaalsContact C-N 3.34Å; S21-A27 WeakPolarHBondContact OG-CB 3.35Å; S21-R28 WeakPolarHBondContact O-CG 3.29Å; S21-R28 PolarHBondContact O-NE 2.91Å
22	A	67.8	Low	79.6	Confident	50 Å²	50	84.4 Å²	84.4	41%	0.413	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-42.7	178.2	0	0	0	0	0	111.1	L18 R19 S20 R28	L18-A22 PolarHBondContact O-N 3.47Å; R19-A22 WeakPolarHBondContact O-CB 3.46Å; R19-A22 PolarHBondContact O-N 2.9Å; R19-A22 VanDerWaalsContact O-N 3.13Å; S20-A22 VanDerWaalsContact C-N 3.27Å; A22-R28 PolarHBondContact O-NH2 2.73Å
23	D	71.8	Confident	79.3	Confident	156 Å²	156	81.6 Å²	81.6	83%	0.834	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-32.9	-178.2	-62.3	-25.3	0	0	0	112.3	S21 R25	S21-D23 VanDerWaalsContact C-N 3.34Å; D23-R25 PolarHBondContact O-N 3.32Å
24	D	79.9	Confident	79.3	Confident	43 Å²	43	81.7 Å²	81.7	23%	0.23	42%	0.418	C	S	.	.			trans	-94.1	99.3	178.1	-170.6	-19.3	0	0	0	111	L26 A27 R34	D24-L26 PolarHBondContact O-N 2.87Å; D24-L26 VanDerWaalsContact O-N 3.13Å; D24-L26 WeakPolarHBondContact OD1-CB 3.49Å; D24-L26 PolarHBondContact OD1-N 3.38Å; D24-A27 HydrophobicContact CB-CB 3.75Å; D24-A27 WeakPolarHBondContact O-CB 3.03Å; D24-A27 PolarHBondContact O-N 2.87Å; D24-A27 PolarHBondContact OD1-N 3.41Å; D24-R34 IonicContact OD2-CZ 2.74Å; D24-R34 IonicContact OD2-NE 3.04Å; D24-R34 PolarHBondContact OD2-NE 3.41Å; D24-R34 IonicContact OD2-NH2 3.39Å; D24-R34 PolarHBondContact OD2-NH2 3.37Å
25	R	79.2	Confident	79.5	Confident	140 Å²	140	80.2 Å²	80.2	53%	0.528	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-34.8	178.2	-66.9	-174.5	-179.5	-164.4	-0.7	112.8	D23 F29	D23-R25 PolarHBondContact O-N 3.32Å; R25-F29 WeakPolarHBondContact O-CE2 3.35Å
26	L	82.4	Confident	79.8	Confident	42 Å²	42	77.3 Å²	77.3	22%	0.22	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-32.9	-178.3	-66.8	172.7	0	0	0	111.9	D24 R28 F29 R34 A37 P55	D24-L26 PolarHBondContact O-N 2.87Å; D24-L26 VanDerWaalsContact O-N 3.13Å; D24-L26 WeakPolarHBondContact OD1-CB 3.49Å; D24-L26 PolarHBondContact OD1-N 3.38Å; L26-R28 PolarHBondContact O-N 3.36Å; L26-R28 VanDerWaalsContact O-N 3.16Å; L26-F29 PolarHBondContact O-N 3.14Å; L26-R34 HydrophobicContact CB-CB 4.33Å; L26-R34 HydrophobicContact CB-CG 3.97Å; L26-A37 HydrophobicContact CD1-CB 3.9Å; L26-A37 HydrophobicContact CD2-CB 3.78Å; L26-A37 HydrophobicContact CG-CB 4.37Å; L26-P55 HydrophobicContact CD2-CG 4.06Å
27	A	80	Confident	80.1	Confident	18 Å²	18	74.3 Å²	74.3	15%	0.149	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-62.6	-22.5	179.2	0	0	0	0	0	113	S21 D24 F29 G30	S21-A27 WeakPolarHBondContact OG-CB 3.35Å; D24-A27 HydrophobicContact CB-CB 3.75Å; D24-A27 WeakPolarHBondContact O-CB 3.03Å; D24-A27 PolarHBondContact O-N 2.87Å; D24-A27 PolarHBondContact OD1-N 3.41Å; A27-F29 PolarHBondContact O-N 2.95Å; A27-G30 PolarHBondContact O-N 3.25Å
28	R	78.7	Confident	80.7	Confident	158 Å²	158	75.7 Å²	75.7	60%	0.596	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-61.9	-27.2	176.5	-59.2	-179	-177.5	-172.1	0.4	113.7	S21 A22 L26 G30	S21-R28 WeakPolarHBondContact O-CG 3.29Å; S21-R28 PolarHBondContact O-NE 2.91Å; A22-R28 PolarHBondContact O-NH2 2.73Å; L26-R28 PolarHBondContact O-N 3.36Å; L26-R28 VanDerWaalsContact O-N 3.16Å; R28-G30 VanDerWaalsContact C-N 3.32Å
29	F	80.1	Confident	81.4	Confident	40 Å²	40	73.1 Å²	73.1	18%	0.175	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-84.3	-8.7	-179.7	-60.5	-73.2	0	0	0	113.4	R25 L26 A27 E33 P55 L79 N80	R25-F29 WeakPolarHBondContact O-CE2 3.35Å; L26-F29 PolarHBondContact O-N 3.14Å; A27-F29 PolarHBondContact O-N 2.95Å; F29-E33 HydrophobicContact CB-CB 3.82Å; F29-E33 HydrophobicContact CB-CG 4.36Å; F29-E33 VanDerWaalsContact O-CD 3.25Å; F29-E33 WeakPolarHBondContact O-CG 3.48Å; F29-P55 HydrophobicContact CD2-CB 4.44Å; F29-P55 HydrophobicContact CD2-CG 3.61Å; F29-P55 HydrophobicContact CE2-CG 3.82Å; F29-P55 HydrophobicContact CG-CB 4.47Å; F29-P55 HydrophobicContact CG-CG 4.04Å; F29-P55 HydrophobicContact CZ-CG 4.39Å; F29-L79 HydrophobicContact CE1-CB 4.24Å; F29-N80 WeakPolarHBondContact CD1-OD1 3.33Å
30	G	80.8	Confident	81.9	Confident	25 Å²	25	64 Å²	64	26%	0.258	33%	0.33	S	S	.	.			trans	115	157.4	-176	0	0	0	0	0	112.3	A27 R28 K32 E33 R34	A27-G30 PolarHBondContact O-N 3.25Å; R28-G30 VanDerWaalsContact C-N 3.32Å; G30-K32 VanDerWaalsContact C-N 3.31Å; G30-K32 PolarHBondContact O-N 3.02Å; G30-E33 VanDerWaalsContact C-OE2 3.32Å; G30-E33 VanDerWaalsContact CA-OE2 3.29Å; G30-E33 WeakPolarHBondContact CA-OE2 3.38Å; G30-E33 PolarHBondContact O-N 3.45Å; G30-R34 VanDerWaalsContact O-CB 3.31Å; G30-R34 WeakPolarHBondContact O-CB 3.44Å; G30-R34 PolarHBondContact O-N 3.25Å
31	V	83.3	Confident	82.5	Confident	109 Å²	109	64.7 Å²	64.7	66%	0.661	32%	0.323	S	S	*	.	H	α-helix	trans	-64.5	-38.2	-175.3	-179.7	0	0	0	0	111.2	N35	V31-N35 WeakPolarHBondContact O-CB 3.4Å; V31-N35 PolarHBondContact O-N 2.9Å; V31-N35 PolarHBondContact O-ND2 3.42Å; V31-N35 PolarHBondContact O-OD1 3.17Å
32	K	86.4	Confident	83.3	Confident	105 Å²	105	66.6 Å²	66.6	46%	0.457	35%	0.346	S	S	.	.	H	α-helix	trans	-70.7	-43.3	-179	-64.6	178	174.5	178.1	0	110.9	G30 N35 L36 G101 I102	G30-K32 VanDerWaalsContact C-N 3.31Å; G30-K32 PolarHBondContact O-N 3.02Å; K32-N35 PolarHBondContact O-N 3.41Å; K32-L36 PolarHBondContact O-N 2.8Å; K32-G101 WeakPolarHBondContact CD-O 3.21Å; K32-G101 PolarHBondContact NZ-O 3.38Å; K32-I102 HydrophobicContact CB-CD1 4.3Å; K32-I102 HydrophobicContact CB-CG1 3.76Å
33	E	85	Confident	84.1	Confident	43 Å²	43	68 Å²	68	20%	0.201	34%	0.344	C	S	.	.	H	α-helix	trans	-65	-41.4	179.5	-66.1	74.6	-167.1	0	0	111	F29 G30 L36 A37 I102	F29-E33 HydrophobicContact CB-CB 3.82Å; F29-E33 HydrophobicContact CB-CG 4.36Å; F29-E33 VanDerWaalsContact O-CD 3.25Å; F29-E33 WeakPolarHBondContact O-CG 3.48Å; G30-E33 VanDerWaalsContact C-OE2 3.32Å; G30-E33 VanDerWaalsContact CA-OE2 3.29Å; G30-E33 WeakPolarHBondContact CA-OE2 3.38Å; G30-E33 PolarHBondContact O-N 3.45Å; E33-L36 WeakPolarHBondContact O-CB 3.34Å; E33-L36 PolarHBondContact O-N 2.81Å; E33-A37 PolarHBondContact O-N 2.99Å; E33-I102 HydrophobicContact CG-CD1 4.45Å
34	R	86.3	Confident	84.6	Confident	92 Å²	92	62.7 Å²	62.7	35%	0.347	31%	0.314	S	S	.	.	H	α-helix	trans	-59.3	-49.6	170.4	-179.6	-168.1	-174.8	-131.6	6.7	111.6	D24 L26 G30 L36 A37 I38	D24-R34 IonicContact OD2-CZ 2.74Å; D24-R34 IonicContact OD2-NE 3.04Å; D24-R34 PolarHBondContact OD2-NE 3.41Å; D24-R34 IonicContact OD2-NH2 3.39Å; D24-R34 PolarHBondContact OD2-NH2 3.37Å; L26-R34 HydrophobicContact CB-CB 4.33Å; L26-R34 HydrophobicContact CB-CG 3.97Å; G30-R34 VanDerWaalsContact O-CB 3.31Å; G30-R34 WeakPolarHBondContact O-CB 3.44Å; G30-R34 PolarHBondContact O-N 3.25Å; R34-L36 VanDerWaalsContact C-N 3.29Å; R34-L36 PolarHBondContact O-N 3.23Å; R34-A37 WeakPolarHBondContact O-CB 3.38Å; R34-A37 PolarHBondContact O-N 2.93Å; R34-A37 VanDerWaalsContact O-N 3.17Å; R34-I38 HydrophobicContact CG-CD1 4Å; R34-I38 WeakPolarHBondContact O-CG1 3.4Å; R34-I38 PolarHBondContact O-N 3.39Å
35	N	88.2	Confident	84.7	Confident	71 Å²	71	69.2 Å²	69.2	38%	0.38	34%	0.34	S	S	.	.	H	α-helix	trans	-61.1	-41.4	179.2	-69.9	-12	0	0	0	111	V31 K32 I38 M39	V31-N35 WeakPolarHBondContact O-CB 3.4Å; V31-N35 PolarHBondContact O-N 2.9Å; V31-N35 PolarHBondContact O-ND2 3.42Å; V31-N35 PolarHBondContact O-OD1 3.17Å; K32-N35 PolarHBondContact O-N 3.41Å; N35-I38 PolarHBondContact O-N 3.07Å; N35-M39 WeakPolarHBondContact O-CE 3.38Å; N35-M39 WeakPolarHBondContact O-CG 3.49Å; N35-M39 PolarHBondContact O-N 2.91Å
36	L	89.5	Confident	85.2	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-56.1	-51.5	171.9	175.5	62.9	0	0	0	111.2	K32 E33 R34 I38 M39 V40 Y82 L93 L96 A97 I102 F107	K32-L36 PolarHBondContact O-N 2.8Å; E33-L36 WeakPolarHBondContact O-CB 3.34Å; E33-L36 PolarHBondContact O-N 2.81Å; R34-L36 VanDerWaalsContact C-N 3.29Å; R34-L36 PolarHBondContact O-N 3.23Å; L36-I38 VanDerWaalsContact C-N 3.3Å; L36-I38 PolarHBondContact O-N 2.95Å; L36-M39 PolarHBondContact O-N 3.32Å; L36-M39 VanDerWaalsContact O-N 3.14Å; L36-V40 HydrophobicContact CD1-CG2 3.96Å; L36-V40 HydrophobicContact CG-CG2 4.31Å; L36-V40 VanDerWaalsContact O-CG2 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.33Å; L36-V40 PolarHBondContact O-N 2.98Å; L36-Y82 HydrophobicContact CD2-CE2 4.29Å; L36-L93 HydrophobicContact CD1-CD1 4.09Å; L36-L96 HydrophobicContact CD1-CB 4.41Å; L36-L96 HydrophobicContact CD1-CD2 3.39Å; L36-L96 HydrophobicContact CD1-CG 4.33Å; L36-A97 HydrophobicContact CD2-CB 3.97Å; L36-I102 HydrophobicContact CB-CD1 3.66Å; L36-I102 HydrophobicContact CD2-CD1 3.47Å; L36-I102 VanDerWaalsContact CD2-CD1 3.47Å; L36-I102 HydrophobicContact CG-CD1 4.13Å; L36-F107 HydrophobicContact CD2-CD2 3.95Å; L36-F107 HydrophobicContact CD2-CE2 3.68Å
37	A	88.5	Confident	85.5	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.008	36%	0.355	C	S	.	.	H	α-helix	trans	-58.1	-42.6	179.9	0	0	0	0	0	112.3	L26 E33 R34 V40 H41 Y82	L26-A37 HydrophobicContact CD1-CB 3.9Å; L26-A37 HydrophobicContact CD2-CB 3.78Å; L26-A37 HydrophobicContact CG-CB 4.37Å; E33-A37 PolarHBondContact O-N 2.99Å; R34-A37 WeakPolarHBondContact O-CB 3.38Å; R34-A37 PolarHBondContact O-N 2.93Å; R34-A37 VanDerWaalsContact O-N 3.17Å; A37-V40 PolarHBondContact O-N 3.35Å; A37-H41 PolarHBondContact O-N 3.29Å; A37-Y82 VanDerWaalsContact CA-OH 3.29Å; A37-Y82 WeakPolarHBondContact CA-OH 3.47Å; A37-Y82 VanDerWaalsContact CB-OH 3.3Å; A37-Y82 WeakPolarHBondContact CB-OH 3.13Å; A37-Y82 PolarHBondContact N-OH 3.3Å
38	I	88.9	Confident	85.9	Confident	86 Å²	86	71.3 Å²	71.3	44%	0.441	35%	0.351	S	S	.	.	H	α-helix	trans	-63.2	-44	176.4	-66.7	167.3	0	0	0	110.8	R34 N35 L36 G42	R34-I38 HydrophobicContact CG-CD1 4Å; R34-I38 WeakPolarHBondContact O-CG1 3.4Å; R34-I38 PolarHBondContact O-N 3.39Å; N35-I38 PolarHBondContact O-N 3.07Å; L36-I38 VanDerWaalsContact C-N 3.3Å; L36-I38 PolarHBondContact O-N 2.95Å; I38-G42 PolarHBondContact O-N 2.86Å
39	M	88.1	Confident	86.5	Confident	59 Å²	59	68 Å²	68	29%	0.291	35%	0.352	S	S	.	.	H	α-helix	trans	-65.4	-41.1	176.6	-75	-178.1	-67.2	0	0	112.2	N35 L36 G42 E43 L96 N100	N35-M39 WeakPolarHBondContact O-CE 3.38Å; N35-M39 WeakPolarHBondContact O-CG 3.49Å; N35-M39 PolarHBondContact O-N 2.91Å; L36-M39 PolarHBondContact O-N 3.32Å; L36-M39 VanDerWaalsContact O-N 3.14Å; M39-G42 PolarHBondContact O-N 3.4Å; M39-E43 WeakPolarHBondContact O-CB 3.42Å; M39-E43 PolarHBondContact O-N 2.91Å; M39-L96 HydrophobicContact CB-CD2 4.16Å; M39-L96 HydrophobicContact CE-CD2 4.2Å; M39-L96 HydrophobicContact SD-CD2 4.48Å; M39-N100 HydrophobicContact CE-CB 4.36Å; M39-N100 WeakPolarHBondContact CE-ND2 3.36Å; M39-N100 VanDerWaalsContact CE-OD1 3.26Å; M39-N100 WeakPolarHBondContact CE-OD1 3.39Å
40	V	89.7	Confident	86.8	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.006	37%	0.365	C	S	.	.	H	α-helix	trans	-61.1	-51.5	176.9	174.1	0	0	0	0	109.6	L36 A37 G42 H44 F48 P52 Y82 L93	L36-V40 HydrophobicContact CD1-CG2 3.96Å; L36-V40 HydrophobicContact CG-CG2 4.31Å; L36-V40 VanDerWaalsContact O-CG2 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.33Å; L36-V40 PolarHBondContact O-N 2.98Å; A37-V40 PolarHBondContact O-N 3.35Å; V40-G42 PolarHBondContact O-N 2.85Å; V40-H44 WeakPolarHBondContact O-CA 3.5Å; V40-H44 WeakPolarHBondContact O-CB 3.34Å; V40-H44 PolarHBondContact O-N 3.17Å; V40-F48 HydrophobicContact CG1-CE2 4.29Å; V40-F48 HydrophobicContact CG2-CE2 4.35Å; V40-P52 HydrophobicContact CG1-CB 4.03Å; V40-P52 HydrophobicContact CG1-CG 4.03Å; V40-Y82 HydrophobicContact CG2-CE1 4.41Å; V40-L93 HydrophobicContact CG2-CD1 3.39Å
41	H	87	Confident	87.3	Confident	101 Å²	101	71.6 Å²	71.6	47%	0.468	36%	0.361	S	S	.	.	H	α-helix	trans	-63.7	-38.5	177.8	-89.3	68.1	0	0	0	112.8	A37 H44 E51	A37-H41 PolarHBondContact O-N 3.29Å; H41-H44 PolarHBondContact O-CE1 3.2Å; H41-H44 VanDerWaalsContact O-CE1 3.3Å; H41-H44 PolarHBondContact O-ND1 2.92Å; H41-E51 IonicContact CD2-OE1 2.72Å; H41-E51 PolarHBondContact CD2-OE1 3.06Å; H41-E51 VanDerWaalsContact CD2-OE1 3.22Å; H41-E51 IonicContact CE1-OE1 3.02Å; H41-E51 PolarHBondContact CE1-OE1 3.14Å; H41-E51 IonicContact CG-OE1 3.89Å; H41-E51 VanDerWaalsContact CG-OE1 3.29Å; H41-E51 IonicContact ND1-OE1 2.68Å; H41-E51 PolarHBondContact ND1-OE1 3.33Å; H41-E51 IonicContact NE2-OE1 3.74Å; H41-E51 PolarHBondContact NE2-OE1 2.95Å
42	G	87.8	Confident	87.6	Confident	58 Å²	58	66.4 Å²	66.4	60%	0.598	33%	0.33	S	S	*	.	H	α-helix	trans	-77	-38.3	-176.5	0	0	0	0	0	114.5	I38 M39 V40	I38-G42 PolarHBondContact O-N 2.86Å; M39-G42 PolarHBondContact O-N 3.4Å; V40-G42 PolarHBondContact O-N 2.85Å
43	E	84.6	Confident	87.7	Confident	80 Å²	80	67.9 Å²	67.9	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-111.6	7.1	-170.9	-64.9	-68.5	149.3	0	0	113.3	M39 K45 K46 L47	M39-E43 WeakPolarHBondContact O-CB 3.42Å; M39-E43 PolarHBondContact O-N 2.91Å; E43-K45 VanDerWaalsContact C-N 3.25Å; E43-K45 PolarHBondContact O-N 3.06Å; E43-K45 VanDerWaalsContact O-N 3.12Å; E43-K46 PolarHBondContact O-N 3.06Å; E43-K46 IonicContact OE1-NZ 3.99Å; E43-K46 PolarHBondContact OE1-NZ 3.48Å; E43-K46 VanDerWaalsContact OE2-CD 3.3Å; E43-K46 WeakPolarHBondContact OE2-CD 3.29Å; E43-K46 WeakPolarHBondContact OE2-CE 3.41Å; E43-K46 IonicContact OE2-NZ 3.95Å; E43-K46 PolarHBondContact OE2-NZ 3.07Å; E43-L47 HydrophobicContact CB-CD1 3.93Å; E43-L47 HydrophobicContact CB-CG 4.46Å; E43-L47 PolarHBondContact O-N 3.42Å
44	H	82	Confident	87.7	Confident	43 Å²	43	66 Å²	66	20%	0.199	33%	0.325	C	S	.	.	H	α-helix	trans	-55.1	-39	-173	60.3	-83.6	0	0	0	113.8	V40 H41 K46 L47 F48 E51	V40-H44 WeakPolarHBondContact O-CA 3.5Å; V40-H44 WeakPolarHBondContact O-CB 3.34Å; V40-H44 PolarHBondContact O-N 3.17Å; H41-H44 PolarHBondContact O-CE1 3.2Å; H41-H44 VanDerWaalsContact O-CE1 3.3Å; H41-H44 PolarHBondContact O-ND1 2.92Å; H44-K46 PolarHBondContact O-N 2.89Å; H44-L47 PolarHBondContact O-N 3.1Å; H44-F48 HydrophobicContact CB-CD2 4.04Å; H44-F48 PolarHBondContact O-N 2.84Å; H44-F48 VanDerWaalsContact O-O 3.1Å; H44-E51 HydrophobicContact CB-CB 4.03Å; H44-E51 HydrophobicContact CB-CG 4.01Å; H44-E51 IonicContact ND1-OE1 2.66Å
45	K	82.7	Confident	87.8	Confident	180 Å²	180	61.8 Å²	61.8	78%	0.783	31%	0.309	S	S	*	.	H	α-helix	trans	-65	-22.9	-176.8	-60.5	-172	-179.9	178.4	0	114	E43	E43-K45 VanDerWaalsContact C-N 3.25Å; E43-K45 PolarHBondContact O-N 3.06Å; E43-K45 VanDerWaalsContact O-N 3.12Å
46	K	88.9	Confident	87.8	Confident	162 Å²	162	60.4 Å²	60.4	70%	0.704	30%	0.301	S	S	*	.	H	α-helix	trans	-93.3	-30.3	179.4	-58.6	-173.6	-159.8	143	0	112.2	E43 H44	E43-K46 PolarHBondContact O-N 3.06Å; E43-K46 IonicContact OE1-NZ 3.99Å; E43-K46 PolarHBondContact OE1-NZ 3.48Å; E43-K46 VanDerWaalsContact OE2-CD 3.3Å; E43-K46 WeakPolarHBondContact OE2-CD 3.29Å; E43-K46 WeakPolarHBondContact OE2-CE 3.41Å; E43-K46 IonicContact OE2-NZ 3.95Å; E43-K46 PolarHBondContact OE2-NZ 3.07Å; H44-K46 PolarHBondContact O-N 2.89Å
47	L	88.3	Confident	87.6	Confident	68 Å²	68	61 Å²	61	36%	0.356	31%	0.308	S	S	.	.	H	α-helix	trans	-104	-32.1	-169.4	-64.6	176.1	0	0	0	113.6	E43 H44 I92 L96	E43-L47 HydrophobicContact CB-CD1 3.93Å; E43-L47 HydrophobicContact CB-CG 4.46Å; E43-L47 PolarHBondContact O-N 3.42Å; H44-L47 PolarHBondContact O-N 3.1Å; L47-I92 HydrophobicContact CB-CG2 4.34Å; L47-I92 WeakPolarHBondContact O-CD1 3.45Å; L47-L96 HydrophobicContact CD1-CD1 3.93Å
48	F	90	Very high	87.5	Confident	14 Å²	14	62 Å²	62	6%	0.061	32%	0.315	C	S	.	.			trans	-121.9	146.6	-172.4	-55.1	-68	0	0	0	110.9	V40 H44 K50 P52 D89 I92 L93	V40-F48 HydrophobicContact CG1-CE2 4.29Å; V40-F48 HydrophobicContact CG2-CE2 4.35Å; H44-F48 HydrophobicContact CB-CD2 4.04Å; H44-F48 PolarHBondContact O-N 2.84Å; H44-F48 VanDerWaalsContact O-O 3.1Å; F48-K50 VanDerWaalsContact C-N 3.29Å; F48-K50 WeakPolarHBondContact CB-O 3.3Å; F48-P52 HydrophobicContact CD1-CG 3.91Å; F48-P52 VanDerWaalsContact CD2-CD 3.43Å; F48-P52 HydrophobicContact CD2-CG 3.79Å; F48-P52 HydrophobicContact CE1-CG 3.96Å; F48-P52 HydrophobicContact CE2-CG 3.91Å; F48-P52 HydrophobicContact CG-CG 3.84Å; F48-P52 HydrophobicContact CZ-CG 3.99Å; F48-D89 WeakPolarHBondContact CA-OD1 3.27Å; F48-D89 HydrophobicContact CB-CB 4.48Å; F48-D89 HydrophobicContact CD1-CB 3.85Å; F48-D89 WeakPolarHBondContact CE1-O 3.15Å; F48-I92 HydrophobicContact CD1-CB 4.14Å; F48-I92 HydrophobicContact CD1-CG2 3.97Å; F48-I92 HydrophobicContact CE1-CB 3.69Å; F48-I92 HydrophobicContact CE1-CG2 3.4Å; F48-I92 VanDerWaalsContact CE1-CG2 3.4Å; F48-I92 HydrophobicContact CZ-CG2 3.97Å; F48-L93 HydrophobicContact CE1-CB 3.82Å; F48-L93 HydrophobicContact CZ-CB 4.01Å; F48-L93 HydrophobicContact CZ-CD1 3.88Å
49	S	89.4	Confident	87.4	Confident	88 Å²	88	63.1 Å²	63.1	62%	0.615	32%	0.321	S	S	*	.	S	Bend	trans	-66.8	-36	169.9	66.9	0	0	0	0	111.6	N86 D89	S49-N86 PolarHBondContact OG-ND2 2.87Å; S49-D89 PolarHBondContact N-OD1 3.29Å; S49-D89 PolarHBondContact N-OD2 3.3Å; S49-D89 PolarHBondContact OG-OD1 3.12Å; S49-D89 PolarHBondContact OG-OD2 3.05Å
50	K	88	Confident	87.3	Confident	106 Å²	106	63.2 Å²	63.2	46%	0.461	33%	0.325	S	S	.	.	S	Bend	trans	-140.6	143.2	172.5	-167.8	-179	-177.2	178.2	0	109.7	F48 P52 D85 D89	F48-K50 VanDerWaalsContact C-N 3.29Å; F48-K50 WeakPolarHBondContact CB-O 3.3Å; K50-P52 VanDerWaalsContact O-CD 3.24Å; K50-P52 WeakPolarHBondContact O-CD 3.28Å; K50-D85 HydrophobicContact CB-CB 3.92Å; K50-D85 HydrophobicContact CD-CB 3.71Å; K50-D85 VanDerWaalsContact CD-CG 3.4Å; K50-D85 WeakPolarHBondContact CD-OD1 2.86Å; K50-D85 HydrophobicContact CG-CB 4.41Å; K50-D85 IonicContact NZ-OD1 2.78Å; K50-D85 PolarHBondContact NZ-OD1 3.43Å; K50-D89 PolarHBondContact N-OD2 2.73Å
51	E	89.6	Confident	87.1	Confident	36 Å²	36	67.7 Å²	67.7	17%	0.168	35%	0.353	C	S	.	.			trans	-57.4	120.9	-178.9	-176.3	-178.2	-155.3	0	0	111.7	H41 H44 R53	H41-E51 IonicContact CD2-OE1 2.72Å; H41-E51 PolarHBondContact CD2-OE1 3.06Å; H41-E51 VanDerWaalsContact CD2-OE1 3.22Å; H41-E51 IonicContact CE1-OE1 3.02Å; H41-E51 PolarHBondContact CE1-OE1 3.14Å; H41-E51 IonicContact CG-OE1 3.89Å; H41-E51 VanDerWaalsContact CG-OE1 3.29Å; H41-E51 IonicContact ND1-OE1 2.68Å; H41-E51 PolarHBondContact ND1-OE1 3.33Å; H41-E51 IonicContact NE2-OE1 3.74Å; H41-E51 PolarHBondContact NE2-OE1 2.95Å; H44-E51 HydrophobicContact CB-CB 4.03Å; H44-E51 HydrophobicContact CB-CG 4.01Å; H44-E51 IonicContact ND1-OE1 2.66Å; E51-R53 PolarHBondContact O-N 3.43Å; E51-R53 IonicContact OE2-CZ 3.1Å; E51-R53 IonicContact OE2-NH1 3.99Å; E51-R53 PolarHBondContact OE2-NH1 3.37Å; E51-R53 IonicContact OE2-NH2 2.76Å
52	P	89.5	Confident	87.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.341	C	S	.	.			trans	-60.7	131.3	169.8	-22.4	32.5	0	0	0	111.7	V40 F48 K50 Y82 V83 L93	V40-P52 HydrophobicContact CG1-CB 4.03Å; V40-P52 HydrophobicContact CG1-CG 4.03Å; F48-P52 HydrophobicContact CD1-CG 3.91Å; F48-P52 VanDerWaalsContact CD2-CD 3.43Å; F48-P52 HydrophobicContact CD2-CG 3.79Å; F48-P52 HydrophobicContact CE1-CG 3.96Å; F48-P52 HydrophobicContact CE2-CG 3.91Å; F48-P52 HydrophobicContact CG-CG 3.84Å; F48-P52 HydrophobicContact CZ-CG 3.99Å; K50-P52 VanDerWaalsContact O-CD 3.24Å; K50-P52 WeakPolarHBondContact O-CD 3.28Å; P52-Y82 HydrophobicContact CB-CD1 4.22Å; P52-V83 CarbonylContact C-O 3.59Å; P52-V83 WeakPolarHBondContact CA-O 3.35Å; P52-L93 HydrophobicContact CB-CD2 3.67Å; P52-L93 HydrophobicContact CG-CD2 4.02Å
53	R	89	Confident	87.1	Confident	135 Å²	135	70.1 Å²	70.1	51%	0.509	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-92.5	114.3	179.3	-67.1	-61.5	-169.1	-156.4	-5.7	110.7	E51 L59 Y82 V83	E51-R53 PolarHBondContact O-N 3.43Å; E51-R53 IonicContact OE2-CZ 3.1Å; E51-R53 IonicContact OE2-NH1 3.99Å; E51-R53 PolarHBondContact OE2-NH1 3.37Å; E51-R53 IonicContact OE2-NH2 2.76Å; R53-L59 HydrophobicContact CB-CD1 4.34Å; R53-Y82 CarbonylContact O-C 3.58Å; R53-Y82 WeakPolarHBondContact O-CA 3.4Å; R53-V83 HydrophobicContact CB-CB 4.43Å; R53-V83 PolarHBondContact N-O 3.37Å; R53-V83 PolarHBondContact O-N 2.77Å
54	G	85.5	Confident	87.4	Confident	4 Å²	4	69.2 Å²	69.2	4%	0.041	35%	0.352	C	S	.	.			trans	169.4	-177.7	174	0	0	0	0	0	113.4	Y82	G54-Y82 VanDerWaalsContact CA-CD1 3.47Å; G54-Y82 WeakPolarHBondContact O-CE1 3.33Å
55	P	88.3	Confident	87.7	Confident	3 Å²	3	71.5 Å²	71.5	2%	0.019	37%	0.371	C	S	.	.			cis	-65.7	144.8	-3.2	29	-33.9	0	0	0	111.8	L26 F29 G57 S58 L79 S81 Y82	L26-P55 HydrophobicContact CD2-CG 4.06Å; F29-P55 HydrophobicContact CD2-CB 4.44Å; F29-P55 HydrophobicContact CD2-CG 3.61Å; F29-P55 HydrophobicContact CE2-CG 3.82Å; F29-P55 HydrophobicContact CG-CB 4.47Å; F29-P55 HydrophobicContact CG-CG 4.04Å; F29-P55 HydrophobicContact CZ-CG 4.39Å; P55-G57 PolarHBondContact O-N 3.23Å; P55-G57 VanDerWaalsContact O-N 3.1Å; P55-S58 WeakPolarHBondContact CD-OG 3.32Å; P55-S58 PolarHBondContact O-N 2.84Å; P55-S58 PolarHBondContact O-OG 2.84Å; P55-L79 WeakPolarHBondContact CB-O 3.26Å; P55-S81 CarbonylContact C-O 3.57Å; P55-S81 VanDerWaalsContact CA-O 3.27Å; P55-S81 WeakPolarHBondContact CA-O 3.24Å; P55-Y82 HydrophobicContact CB-CE2 4.01Å; P55-Y82 WeakPolarHBondContact CD-OH 3.32Å
56	I	87.3	Confident	88	Confident	42 Å²	42	69.4 Å²	69.4	22%	0.215	36%	0.364	C	S	.	.	H	α-helix	trans	-53.6	-38	-175.9	-67.1	-176.1	0	0	0	111.4	S58 L59 V60 L78 L79 S81 V83	I56-S58 PolarHBondContact O-N 3.4Å; I56-L59 WeakPolarHBondContact O-CA 3.3Å; I56-L59 WeakPolarHBondContact O-CB 3.49Å; I56-L59 PolarHBondContact O-N 2.84Å; I56-V60 HydrophobicContact CG2-CG2 3.91Å; I56-V60 WeakPolarHBondContact O-CG2 3.29Å; I56-V60 PolarHBondContact O-N 3.43Å; I56-V60 VanDerWaalsContact O-N 3.13Å; I56-L78 WeakPolarHBondContact CB-O 3.47Å; I56-L79 PolarHBondContact N-O 2.75Å; I56-S81 WeakPolarHBondContact CD1-OG 3.36Å; I56-S81 WeakPolarHBondContact CG1-OG 3.14Å; I56-S81 PolarHBondContact N-O 3.39Å; I56-V83 HydrophobicContact CD1-CG2 4.21Å
57	G	85.7	Confident	87.9	Confident	15 Å²	15	68.6 Å²	68.6	16%	0.155	36%	0.357	C	S	.	.	H	α-helix	trans	-62.2	-24.4	179.5	0	0	0	0	0	114.5	P55 L59 L79	P55-G57 PolarHBondContact O-N 3.23Å; P55-G57 VanDerWaalsContact O-N 3.1Å; G57-L59 VanDerWaalsContact C-N 3.3Å; G57-L79 PolarHBondContact N-O 3.44Å
58	S	86.3	Confident	87.8	Confident	21 Å²	21	68.9 Å²	68.9	15%	0.147	36%	0.358	C	S	.	.	H	α-helix	trans	-78.8	-17.9	173.9	65.7	0	0	0	0	112.9	P55 I56	P55-S58 WeakPolarHBondContact CD-OG 3.32Å; P55-S58 PolarHBondContact O-N 2.84Å; P55-S58 PolarHBondContact O-OG 2.84Å; I56-S58 PolarHBondContact O-N 3.4Å
59	L	87.2	Confident	87.4	Confident	110 Å²	110	74.1 Å²	74.1	58%	0.576	38%	0.378	S	S	*	.	H	α-helix	trans	-93.5	-16.8	179.7	-54.4	177.3	0	0	0	112.4	R53 I56 G57	R53-L59 HydrophobicContact CB-CD1 4.34Å; I56-L59 WeakPolarHBondContact O-CA 3.3Å; I56-L59 WeakPolarHBondContact O-CB 3.49Å; I56-L59 PolarHBondContact O-N 2.84Å; G57-L59 VanDerWaalsContact C-N 3.3Å
60	V	85.6	Confident	87.3	Confident	61 Å²	61	71 Å²	71	37%	0.37	36%	0.358	S	S	.	.			trans	-97.9	131.7	178.8	178.2	0	0	0	0	109.8	I56	I56-V60 HydrophobicContact CG2-CG2 3.91Å; I56-V60 WeakPolarHBondContact O-CG2 3.29Å; I56-V60 PolarHBondContact O-N 3.43Å; I56-V60 VanDerWaalsContact O-N 3.13Å
61	T	86.8	Confident	87.2	Confident	95 Å²	95	67.1 Å²	67.1	58%	0.583	34%	0.342	S	S	*	.			trans	-125.8	127	169.5	-56.4	0	0	0	0	107.8
62	V	86.8	Confident	87	Confident	37 Å²	37	70.8 Å²	70.8	22%	0.224	36%	0.36	C	S	.	.			trans	-83.9	123.3	174.7	-172.1	0	0	0	0	107.7	D64 W67 N68 V71	V62-D64 VanDerWaalsContact C-N 3.34Å; V62-D64 WeakPolarHBondContact CG1-O 3.48Å; V62-D64 PolarHBondContact O-N 3.27Å; V62-W67 HydrophobicContact CG1-CB 3.91Å; V62-N68 VanDerWaalsContact CB-OD1 3.23Å; V62-N68 WeakPolarHBondContact CB-OD1 3.35Å; V62-N68 WeakPolarHBondContact CG2-OD1 3.31Å; V62-V71 HydrophobicContact CG1-CG2 4.41Å; V62-V71 HydrophobicContact CG2-CB 4.05Å; V62-V71 HydrophobicContact CG2-CG1 4.03Å; V62-V71 HydrophobicContact CG2-CG2 4.08Å
63	I	87.7	Confident	86.6	Confident	172 Å²	172	71.7 Å²	71.7	88%	0.882	37%	0.366	S	S	*	.	S	Bend	trans	-61.2	-46.7	-176.9	-63.1	173.3	0	0	0	110.4
64	D	90.2	Very high	86.4	Confident	62 Å²	62	66.6 Å²	66.6	33%	0.332	35%	0.35	S	S	.	.	S	Bend	trans	-108.3	114.4	179.8	178.8	-11.1	0	0	0	110.4	V62 Q66 W67	V62-D64 VanDerWaalsContact C-N 3.34Å; V62-D64 WeakPolarHBondContact CG1-O 3.48Å; V62-D64 PolarHBondContact O-N 3.27Å; D64-Q66 PolarHBondContact O-N 3.44Å; D64-Q66 VanDerWaalsContact OD1-CG 3.26Å; D64-Q66 WeakPolarHBondContact OD1-CG 3.45Å; D64-Q66 PolarHBondContact OD1-N 3.17Å; D64-Q66 PolarHBondContact OD2-NE2 3.14Å; D64-W67 PolarHBondContact O-N 2.91Å; D64-W67 VanDerWaalsContact O-N 3.09Å
65	P	88.2	Confident	86.4	Confident	91 Å²	91	67.6 Å²	67.6	59%	0.591	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-56.8	-21.5	-176.6	-26.8	35.1	0	0	0	115.4	W67 N68	P65-W67 PolarHBondContact O-N 3.35Å; P65-N68 VanDerWaalsContact CA-ND2 3.33Å; P65-N68 WeakPolarHBondContact CA-ND2 3.42Å; P65-N68 VanDerWaalsContact O-CB 3.27Å; P65-N68 WeakPolarHBondContact O-CB 3.35Å; P65-N68 PolarHBondContact O-N 2.66Å; P65-N68 VanDerWaalsContact O-N 3.14Å; P65-N68 PolarHBondContact O-ND2 3.17Å
66	Q	90.5	Very high	86.1	Confident	136 Å²	136	68.3 Å²	68.3	64%	0.636	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-62	-28.2	178.5	79.8	-176	-35.5	0	0	112.2	D64	D64-Q66 PolarHBondContact O-N 3.44Å; D64-Q66 VanDerWaalsContact OD1-CG 3.26Å; D64-Q66 WeakPolarHBondContact OD1-CG 3.45Å; D64-Q66 PolarHBondContact OD1-N 3.17Å; D64-Q66 PolarHBondContact OD2-NE2 3.14Å
67	W	86.7	Confident	85.6	Confident	144 Å²	144	70.1 Å²	70.1	55%	0.545	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-87.4	-7	179.3	-55.9	113	0	0	0	114	V62 D64 P65 R69 A70 V71	V62-W67 HydrophobicContact CG1-CB 3.91Å; D64-W67 PolarHBondContact O-N 2.91Å; D64-W67 VanDerWaalsContact O-N 3.09Å; P65-W67 PolarHBondContact O-N 3.35Å; W67-R69 VanDerWaalsContact C-N 3.26Å; W67-R69 PolarHBondContact O-N 2.98Å; W67-R69 VanDerWaalsContact O-N 3.17Å; W67-A70 PolarHBondContact O-N 2.94Å; W67-V71 HydrophobicContact CB-CG2 4.38Å; W67-V71 WeakPolarHBondContact O-CG2 3.38Å; W67-V71 PolarHBondContact O-N 3.28Å
68	N	84.7	Confident	85.5	Confident	74 Å²	74	72 Å²	72	40%	0.396	38%	0.383	S	S	.	.	H	α-helix	trans	-49.2	-48.3	-177	-82.6	-31.2	0	0	0	112.2	V62 P65 A70 V71 E72	V62-N68 VanDerWaalsContact CB-OD1 3.23Å; V62-N68 WeakPolarHBondContact CB-OD1 3.35Å; V62-N68 WeakPolarHBondContact CG2-OD1 3.31Å; P65-N68 VanDerWaalsContact CA-ND2 3.33Å; P65-N68 WeakPolarHBondContact CA-ND2 3.42Å; P65-N68 VanDerWaalsContact O-CB 3.27Å; P65-N68 WeakPolarHBondContact O-CB 3.35Å; P65-N68 PolarHBondContact O-N 2.66Å; P65-N68 VanDerWaalsContact O-N 3.14Å; P65-N68 PolarHBondContact O-ND2 3.17Å; N68-A70 PolarHBondContact O-N 2.76Å; N68-V71 PolarHBondContact O-N 2.67Å; N68-E72 WeakPolarHBondContact O-CB 3.47Å; N68-E72 PolarHBondContact O-N 3.13Å
69	R	83.5	Confident	85.4	Confident	125 Å²	125	72.4 Å²	72.4	47%	0.472	38%	0.384	S	S	.	.	H	α-helix	trans	-66.4	-39.6	-177.8	-173.5	175	-179.3	-178.8	-1	112.4	W67 C73 S138 S141 F142	W67-R69 VanDerWaalsContact C-N 3.26Å; W67-R69 PolarHBondContact O-N 2.98Å; W67-R69 VanDerWaalsContact O-N 3.17Å; R69-C73 WeakPolarHBondContact O-CB 3.4Å; R69-C73 PolarHBondContact O-N 3.25Å; R69-C73 PolarHBondContact O-SG 2.9Å; R69-S138 PolarHBondContact NE-OG 3.1Å; R69-S138 PolarHBondContact NH2-OG 2.88Å; R69-S138 VanDerWaalsContact NH2-OG 3.07Å; R69-S141 PolarHBondContact NH2-OG 2.98Å; R69-F142 HydrophobicContact CG-CE2 4.4Å
70	A	86	Confident	85.2	Confident	23 Å²	23	69.4 Å²	69.4	19%	0.19	37%	0.368	C	S	.	.	H	α-helix	trans	-65.9	-49	178.2	0	0	0	0	0	110.2	W67 N68 E72 C73 C74	W67-A70 PolarHBondContact O-N 2.94Å; N68-A70 PolarHBondContact O-N 2.76Å; A70-E72 PolarHBondContact O-N 2.88Å; A70-C73 PolarHBondContact O-N 3.45Å; A70-C74 PolarHBondContact O-N 3.46Å; A70-C74 PolarHBondContact O-SG 3.27Å
71	V	87.3	Confident	85.1	Confident	23 Å²	23	66.5 Å²	66.5	14%	0.139	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-44.4	177.6	176.6	0	0	0	0	111.3	V62 W67 N68 C73 C74 L75 L154	V62-V71 HydrophobicContact CG1-CG2 4.41Å; V62-V71 HydrophobicContact CG2-CB 4.05Å; V62-V71 HydrophobicContact CG2-CG1 4.03Å; V62-V71 HydrophobicContact CG2-CG2 4.08Å; W67-V71 HydrophobicContact CB-CG2 4.38Å; W67-V71 WeakPolarHBondContact O-CG2 3.38Å; W67-V71 PolarHBondContact O-N 3.28Å; N68-V71 PolarHBondContact O-N 2.67Å; V71-C73 VanDerWaalsContact C-N 3.31Å; V71-C73 PolarHBondContact O-N 3.33Å; V71-C74 PolarHBondContact O-N 2.7Å; V71-L75 HydrophobicContact CG1-CD1 3.73Å; V71-L75 HydrophobicContact CG1-CG 4.29Å; V71-L75 WeakPolarHBondContact O-CB 3.4Å; V71-L75 WeakPolarHBondContact O-CG 3.42Å; V71-L75 PolarHBondContact O-N 2.93Å; V71-L154 HydrophobicContact CG2-CD1 4.33Å
72	E	84.4	Confident	85.2	Confident	114 Å²	114	62.2 Å²	62.2	53%	0.533	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-40.3	176.3	-175	-177.8	-173.9	0	0	111.7	N68 A70 G76 L79	N68-E72 WeakPolarHBondContact O-CB 3.47Å; N68-E72 PolarHBondContact O-N 3.13Å; A70-E72 PolarHBondContact O-N 2.88Å; E72-G76 WeakPolarHBondContact O-CA 3.3Å; E72-G76 PolarHBondContact O-N 3.47Å; E72-L79 HydrophobicContact CB-CD1 4.39Å; E72-L79 HydrophobicContact CG-CD1 3.87Å
73	C	81.8	Confident	85.2	Confident	18 Å²	18	62.6 Å²	62.6	12%	0.122	33%	0.326	C	S	.	.	H	α-helix	trans	-69.7	-38.1	177.2	-70.4	0	0	0	0	112.7	R69 A70 V71 F142	R69-C73 WeakPolarHBondContact O-CB 3.4Å; R69-C73 PolarHBondContact O-N 3.25Å; R69-C73 PolarHBondContact O-SG 2.9Å; A70-C73 PolarHBondContact O-N 3.45Å; V71-C73 VanDerWaalsContact C-N 3.31Å; V71-C73 PolarHBondContact O-N 3.33Å; C73-F142 HydrophobicContact CB-CD2 4.04Å; C73-F142 HydrophobicContact CB-CE2 3.95Å; C73-F142 VanDerWaalsContact SG-CE2 3.52Å
74	C	84.9	Confident	85.2	Confident	28 Å²	28	54.4 Å²	54.4	19%	0.189	28%	0.284	C	S	.	.	H	α-helix	trans	-70.5	-41.7	177.8	-65.1	0	0	0	0	112.2	A70 V71 A150 L154	A70-C74 PolarHBondContact O-N 3.46Å; A70-C74 PolarHBondContact O-SG 3.27Å; V71-C74 PolarHBondContact O-N 2.7Å; C74-A150 VanDerWaalsContact SG-CB 3.55Å; C74-L154 HydrophobicContact CB-CD2 3.51Å
75	L	84	Confident	84.8	Confident	26 Å²	26	53.6 Å²	53.6	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-79.6	-40.4	-179.8	-66.2	177.6	0	0	0	112	V71 L78 L79 L154	V71-L75 HydrophobicContact CG1-CD1 3.73Å; V71-L75 HydrophobicContact CG1-CG 4.29Å; V71-L75 WeakPolarHBondContact O-CB 3.4Å; V71-L75 WeakPolarHBondContact O-CG 3.42Å; V71-L75 PolarHBondContact O-N 2.93Å; L75-L78 HydrophobicContact CB-CB 4.34Å; L75-L78 HydrophobicContact CD2-CD1 4.1Å; L75-L78 WeakPolarHBondContact O-CB 3.32Å; L75-L78 WeakPolarHBondContact O-CG 3.28Å; L75-L78 PolarHBondContact O-N 3.26Å; L75-L79 HydrophobicContact CB-CD1 4.4Å; L75-L79 HydrophobicContact CB-CD2 3.87Å; L75-L79 HydrophobicContact CB-CG 3.78Å; L75-L79 HydrophobicContact CD1-CD2 3.6Å; L75-L79 HydrophobicContact CD1-CG 4.45Å; L75-L79 HydrophobicContact CG-CD2 4.4Å; L75-L154 HydrophobicContact CD2-CD2 4Å; L75-L154 HydrophobicContact CG-CD2 4.03Å
76	G	82	Confident	84.6	Confident	17 Å²	17	51 Å²	51	18%	0.175	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	48.8	-122.7	175.2	0	0	0	0	0	112.9	E72 L78 L79	E72-G76 WeakPolarHBondContact O-CA 3.3Å; E72-G76 PolarHBondContact O-N 3.47Å; G76-L78 PolarHBondContact O-N 3.3Å; G76-L78 VanDerWaalsContact O-N 3.11Å; G76-L79 WeakPolarHBondContact O-CB 3.49Å; G76-L79 PolarHBondContact O-N 2.83Å; G76-L79 VanDerWaalsContact O-N 3.1Å
77	P	78.5	Confident	84.2	Confident	80 Å²	80	49.2 Å²	49.2	52%	0.519	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-58.3	-22.4	178.7	-23.2	33.9	0	0	0	114.9	L79 N80 L108	P77-L79 PolarHBondContact O-N 3.34Å; P77-N80 PolarHBondContact O-N 2.77Å; P77-L108 HydrophobicContact CB-CD1 4.4Å
78	L	82.2	Confident	84.2	Confident	56 Å²	56	50.3 Å²	50.3	29%	0.293	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-59.1	-28.6	176.1	-60.7	177	0	0	0	111.9	I56 L75 G76 N80 S81 Y110	I56-L78 WeakPolarHBondContact CB-O 3.47Å; L75-L78 HydrophobicContact CB-CB 4.34Å; L75-L78 HydrophobicContact CD2-CD1 4.1Å; L75-L78 WeakPolarHBondContact O-CB 3.32Å; L75-L78 WeakPolarHBondContact O-CG 3.28Å; L75-L78 PolarHBondContact O-N 3.26Å; G76-L78 PolarHBondContact O-N 3.3Å; G76-L78 VanDerWaalsContact O-N 3.11Å; L78-N80 PolarHBondContact O-N 2.87Å; L78-S81 WeakPolarHBondContact O-CB 3.42Å; L78-S81 PolarHBondContact O-N 2.6Å; L78-S81 PolarHBondContact O-OG 3.06Å; L78-Y110 HydrophobicContact CD2-CE1 3.89Å; L78-Y110 HydrophobicContact CD2-CE2 3.51Å; L78-Y110 WeakPolarHBondContact CD2-OH 3.34Å
79	L	84.2	Confident	84.5	Confident	29 Å²	29	47 Å²	47	15%	0.152	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-62.2	-30	-179.9	-67.5	173.2	0	0	0	112.8	F29 P55 I56 G57 E72 L75 G76 P77 S81	F29-L79 HydrophobicContact CE1-CB 4.24Å; P55-L79 WeakPolarHBondContact CB-O 3.26Å; I56-L79 PolarHBondContact N-O 2.75Å; G57-L79 PolarHBondContact N-O 3.44Å; E72-L79 HydrophobicContact CB-CD1 4.39Å; E72-L79 HydrophobicContact CG-CD1 3.87Å; L75-L79 HydrophobicContact CB-CD1 4.4Å; L75-L79 HydrophobicContact CB-CD2 3.87Å; L75-L79 HydrophobicContact CB-CG 3.78Å; L75-L79 HydrophobicContact CD1-CD2 3.6Å; L75-L79 HydrophobicContact CD1-CG 4.45Å; L75-L79 HydrophobicContact CG-CD2 4.4Å; G76-L79 WeakPolarHBondContact O-CB 3.49Å; G76-L79 PolarHBondContact O-N 2.83Å; G76-L79 VanDerWaalsContact O-N 3.1Å; P77-L79 PolarHBondContact O-N 3.34Å; L79-S81 VanDerWaalsContact C-N 3.31Å
80	N	83.1	Confident	84.6	Confident	47 Å²	47	41 Å²	41	25%	0.251	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-87.3	-1.3	178	-67.1	-32.7	0	0	0	113.6	F29 P77 L78 S106	F29-N80 WeakPolarHBondContact CD1-OD1 3.33Å; P77-N80 PolarHBondContact O-N 2.77Å; L78-N80 PolarHBondContact O-N 2.87Å; N80-S106 WeakPolarHBondContact CB-O 3.47Å
81	S	84.4	Confident	84.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.			trans	-86.3	160.1	-168.1	81.3	0	0	0	0	113.2	P55 I56 L78 L79 L108 Y110	P55-S81 CarbonylContact C-O 3.57Å; P55-S81 VanDerWaalsContact CA-O 3.27Å; P55-S81 WeakPolarHBondContact CA-O 3.24Å; I56-S81 WeakPolarHBondContact CD1-OG 3.36Å; I56-S81 WeakPolarHBondContact CG1-OG 3.14Å; I56-S81 PolarHBondContact N-O 3.39Å; L78-S81 WeakPolarHBondContact O-CB 3.42Å; L78-S81 PolarHBondContact O-N 2.6Å; L78-S81 PolarHBondContact O-OG 3.06Å; L79-S81 VanDerWaalsContact C-N 3.31Å; S81-L108 VanDerWaalsContact CA-O 3.32Å; S81-L108 WeakPolarHBondContact CA-O 3.15Å; S81-L108 WeakPolarHBondContact CB-O 3.19Å; S81-Y110 VanDerWaalsContact CB-CD2 3.43Å; S81-Y110 WeakPolarHBondContact OG-CD2 3.45Å; S81-Y110 WeakPolarHBondContact OG-CE2 3.22Å
82	Y	88.1	Confident	84.8	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.1	178.5	-77.8	-112.7	0	0	0	110.3	L36 A37 V40 P52 R53 G54 P55 L93 F107 L108 P109 Y110	L36-Y82 HydrophobicContact CD2-CE2 4.29Å; A37-Y82 VanDerWaalsContact CA-OH 3.29Å; A37-Y82 WeakPolarHBondContact CA-OH 3.47Å; A37-Y82 VanDerWaalsContact CB-OH 3.3Å; A37-Y82 WeakPolarHBondContact CB-OH 3.13Å; A37-Y82 PolarHBondContact N-OH 3.3Å; V40-Y82 HydrophobicContact CG2-CE1 4.41Å; P52-Y82 HydrophobicContact CB-CD1 4.22Å; R53-Y82 CarbonylContact O-C 3.58Å; R53-Y82 WeakPolarHBondContact O-CA 3.4Å; G54-Y82 VanDerWaalsContact CA-CD1 3.47Å; G54-Y82 WeakPolarHBondContact O-CE1 3.33Å; P55-Y82 HydrophobicContact CB-CE2 4.01Å; P55-Y82 WeakPolarHBondContact CD-OH 3.32Å; Y82-L93 HydrophobicContact CD1-CD2 4.07Å; Y82-L93 HydrophobicContact CG-CD2 3.91Å; Y82-F107 HydrophobicContact CD2-CD2 4.3Å; Y82-F107 AromaticContact CD2-CE2 3.4Å; Y82-F107 HydrophobicContact CD2-CE2 3.4Å; Y82-F107 HydrophobicContact CD2-CZ 4.09Å; Y82-F107 AromaticContact CE2-CE2 3.82Å; Y82-F107 HydrophobicContact CE2-CE2 3.82Å; Y82-F107 HydrophobicContact CG-CE2 4.09Å; Y82-F107 HydrophobicContact CG-CZ 4.36Å; Y82-L108 PolarHBondContact N-O 3.38Å; Y82-P109 CarbonylContact O-C 3.52Å; Y82-P109 WeakPolarHBondContact O-CA 3.41Å; Y82-Y110 PolarHBondContact O-N 2.93Å
83	V	86.7	Confident	85	Confident	45 Å²	45	39 Å²	39	27%	0.273	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.4	174.5	-176.1	0	0	0	0	109.4	P52 R53 I56 Y110 L112	P52-V83 CarbonylContact C-O 3.59Å; P52-V83 WeakPolarHBondContact CA-O 3.35Å; R53-V83 HydrophobicContact CB-CB 4.43Å; R53-V83 PolarHBondContact N-O 3.37Å; R53-V83 PolarHBondContact O-N 2.77Å; I56-V83 HydrophobicContact CD1-CG2 4.21Å; V83-Y110 CarbonylContact C-O 3.26Å; V83-Y110 WeakPolarHBondContact CA-O 3.47Å; V83-L112 HydrophobicContact CG1-CB 3.86Å; V83-L112 HydrophobicContact CG1-CD2 4.46Å
84	C	87.2	Confident	85.3	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.007	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	147.2	176.5	-57.5	0	0	0	0	110.4	D89 A90 L93 Y110 L112	C84-D89 HydrophobicContact CB-CB 4.29Å; C84-A90 HydrophobicContact CB-CB 3.91Å; C84-L93 VanDerWaalsContact SG-CD2 3.55Å; C84-Y110 PolarHBondContact N-O 2.74Å; C84-L112 PolarHBondContact O-N 3.4Å
85	D	83.1	Confident	85.5	Confident	45 Å²	45	46.8 Å²	46.8	24%	0.241	23%	0.231	C	C	.	.	S	Bend	trans	-76	-22.2	-177.1	-159.8	78.5	0	0	0	113.6	K50 L112 L114	K50-D85 HydrophobicContact CB-CB 3.92Å; K50-D85 HydrophobicContact CD-CB 3.71Å; K50-D85 VanDerWaalsContact CD-CG 3.4Å; K50-D85 WeakPolarHBondContact CD-OD1 2.86Å; K50-D85 HydrophobicContact CG-CB 4.41Å; K50-D85 IonicContact NZ-OD1 2.78Å; K50-D85 PolarHBondContact NZ-OD1 3.43Å; D85-L112 CarbonylContact C-O 3.59Å; D85-L112 VanDerWaalsContact C-O 3.26Å; D85-L112 WeakPolarHBondContact CA-O 3.32Å; D85-L114 WeakPolarHBondContact OD1-CD1 3.45Å
86	N	82.7	Confident	85.7	Confident	36 Å²	36	47 Å²	47	19%	0.193	23%	0.231	C	C	.	.	S	Bend	trans	-154.1	172.2	178.4	59.6	66.4	0	0	0	112.5	S49 K88 D89 A90	S49-N86 PolarHBondContact OG-ND2 2.87Å; N86-K88 VanDerWaalsContact C-N 3.31Å; N86-K88 PolarHBondContact O-N 3.48Å; N86-K88 WeakPolarHBondContact OD1-CB 3.04Å; N86-K88 PolarHBondContact OD1-N 3.45Å; N86-K88 VanDerWaalsContact OD1-N 3.07Å; N86-D89 PolarHBondContact ND2-OD2 2.84Å; N86-D89 PolarHBondContact O-N 2.73Å; N86-D89 PolarHBondContact OD1-N 3.24Å; N86-A90 WeakPolarHBondContact O-CB 3.4Å; N86-A90 PolarHBondContact O-N 2.86Å; N86-A90 VanDerWaalsContact O-N 3.1Å
87	F	83.5	Confident	86	Confident	98 Å²	98	46.2 Å²	46.2	43%	0.43	22%	0.223	S	C	.	.	H	α-helix	trans	-62.7	-35.2	-179	-72.7	-102	0	0	0	113.1	D91 D113	F87-D91 PolarHBondContact O-N 3.43Å; F87-D113 HydrophobicContact CE2-CB 4.5Å
88	K	87.2	Confident	86.5	Confident	167 Å²	167	45.5 Å²	45.5	73%	0.726	22%	0.221	S	C	*	.	H	α-helix	trans	-67.3	-49.4	-179.4	-63.5	-179.5	179.9	177.9	0	110	N86 A90 D91 I92	N86-K88 VanDerWaalsContact C-N 3.31Å; N86-K88 PolarHBondContact O-N 3.48Å; N86-K88 WeakPolarHBondContact OD1-CB 3.04Å; N86-K88 PolarHBondContact OD1-N 3.45Å; N86-K88 VanDerWaalsContact OD1-N 3.07Å; K88-A90 VanDerWaalsContact C-N 3.31Å; K88-A90 PolarHBondContact O-N 3.4Å; K88-D91 PolarHBondContact O-N 3.22Å; K88-D91 VanDerWaalsContact O-N 3.16Å; K88-I92 VanDerWaalsContact O-CG1 3.29Å; K88-I92 WeakPolarHBondContact O-CG1 3.41Å; K88-I92 PolarHBondContact O-N 3.09Å
89	D	89.3	Confident	86.8	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-39.2	178.9	-70.2	-9.9	0	0	0	111.5	F48 S49 K50 C84 N86 D91 I92 L93	F48-D89 WeakPolarHBondContact CA-OD1 3.27Å; F48-D89 HydrophobicContact CB-CB 4.48Å; F48-D89 HydrophobicContact CD1-CB 3.85Å; F48-D89 WeakPolarHBondContact CE1-O 3.15Å; S49-D89 PolarHBondContact N-OD1 3.29Å; S49-D89 PolarHBondContact N-OD2 3.3Å; S49-D89 PolarHBondContact OG-OD1 3.12Å; S49-D89 PolarHBondContact OG-OD2 3.05Å; K50-D89 PolarHBondContact N-OD2 2.73Å; C84-D89 HydrophobicContact CB-CB 4.29Å; N86-D89 PolarHBondContact ND2-OD2 2.84Å; N86-D89 PolarHBondContact O-N 2.73Å; N86-D89 PolarHBondContact OD1-N 3.24Å; D89-D91 PolarHBondContact O-N 3.18Å; D89-I92 PolarHBondContact O-N 3.4Å; D89-L93 VanDerWaalsContact O-CB 3.29Å; D89-L93 WeakPolarHBondContact O-CB 3.49Å; D89-L93 PolarHBondContact O-N 2.6Å
90	A	86.7	Confident	86.8	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-38.4	175.1	0	0	0	0	0	113.2	C84 N86 K88 R94 P109 R111	C84-A90 HydrophobicContact CB-CB 3.91Å; N86-A90 WeakPolarHBondContact O-CB 3.4Å; N86-A90 PolarHBondContact O-N 2.86Å; N86-A90 VanDerWaalsContact O-N 3.1Å; K88-A90 VanDerWaalsContact C-N 3.31Å; K88-A90 PolarHBondContact O-N 3.4Å; A90-R94 WeakPolarHBondContact O-CB 3.45Å; A90-R94 PolarHBondContact O-N 3.05Å; A90-P109 HydrophobicContact CB-CB 4.28Å; A90-R111 HydrophobicContact CB-CG 3.89Å
91	D	87.4	Confident	86.9	Confident	60 Å²	60	52.8 Å²	52.8	32%	0.321	26%	0.261	S	S	.	.	H	α-helix	trans	-71.7	-41.7	176.9	-168.7	49	0	0	0	111.8	F87 K88 D89 L93 R94 R95	F87-D91 PolarHBondContact O-N 3.43Å; K88-D91 PolarHBondContact O-N 3.22Å; K88-D91 VanDerWaalsContact O-N 3.16Å; D89-D91 PolarHBondContact O-N 3.18Å; D91-L93 VanDerWaalsContact C-N 3.31Å; D91-L93 PolarHBondContact O-N 2.77Å; D91-R94 PolarHBondContact O-N 3.25Å; D91-R95 WeakPolarHBondContact O-CG 3.43Å; D91-R95 PolarHBondContact O-N 3.38Å; D91-R95 IonicContact OD1-NE 3.14Å; D91-R95 IonicContact OD2-CZ 3.31Å; D91-R95 IonicContact OD2-NE 3.07Å; D91-R95 PolarHBondContact OD2-NE 3.2Å; D91-R95 IonicContact OD2-NH2 2.7Å; D91-R95 PolarHBondContact OD2-NH2 3.1Å
92	I	89.7	Confident	86.9	Confident	57 Å²	57	53 Å²	53	29%	0.292	26%	0.262	S	S	.	.	H	α-helix	trans	-59.4	-45.7	174.8	-65.3	168.1	0	0	0	110.1	L47 F48 K88 D89 R94 R95 L96	L47-I92 HydrophobicContact CB-CG2 4.34Å; L47-I92 WeakPolarHBondContact O-CD1 3.45Å; F48-I92 HydrophobicContact CD1-CB 4.14Å; F48-I92 HydrophobicContact CD1-CG2 3.97Å; F48-I92 HydrophobicContact CE1-CB 3.69Å; F48-I92 HydrophobicContact CE1-CG2 3.4Å; F48-I92 VanDerWaalsContact CE1-CG2 3.4Å; F48-I92 HydrophobicContact CZ-CG2 3.97Å; K88-I92 VanDerWaalsContact O-CG1 3.29Å; K88-I92 WeakPolarHBondContact O-CG1 3.41Å; K88-I92 PolarHBondContact O-N 3.09Å; D89-I92 PolarHBondContact O-N 3.4Å; I92-R94 PolarHBondContact O-N 2.89Å; I92-R95 PolarHBondContact O-N 3.18Å; I92-L96 WeakPolarHBondContact O-CB 3.44Å; I92-L96 PolarHBondContact O-N 3.11Å
93	L	89.6	Confident	86.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-40	-179.4	-174.9	62.7	0	0	0	111.5	L36 V40 F48 P52 Y82 C84 D89 D91 L96 A97 F107	L36-L93 HydrophobicContact CD1-CD1 4.09Å; V40-L93 HydrophobicContact CG2-CD1 3.39Å; F48-L93 HydrophobicContact CE1-CB 3.82Å; F48-L93 HydrophobicContact CZ-CB 4.01Å; F48-L93 HydrophobicContact CZ-CD1 3.88Å; P52-L93 HydrophobicContact CB-CD2 3.67Å; P52-L93 HydrophobicContact CG-CD2 4.02Å; Y82-L93 HydrophobicContact CD1-CD2 4.07Å; Y82-L93 HydrophobicContact CG-CD2 3.91Å; C84-L93 VanDerWaalsContact SG-CD2 3.55Å; D89-L93 VanDerWaalsContact O-CB 3.29Å; D89-L93 WeakPolarHBondContact O-CB 3.49Å; D89-L93 PolarHBondContact O-N 2.6Å; D91-L93 VanDerWaalsContact C-N 3.31Å; D91-L93 PolarHBondContact O-N 2.77Å; L93-L96 PolarHBondContact O-N 2.9Å; L93-A97 WeakPolarHBondContact O-CB 3.17Å; L93-A97 PolarHBondContact O-N 3.16Å; L93-F107 HydrophobicContact CB-CZ 4.47Å; L93-F107 HydrophobicContact CD1-CZ 4.31Å; L93-F107 HydrophobicContact CD2-CE1 4.34Å; L93-F107 HydrophobicContact CD2-CE2 4.35Å; L93-F107 HydrophobicContact CD2-CZ 3.49Å; L93-F107 VanDerWaalsContact CD2-CZ 3.49Å; L93-F107 HydrophobicContact CG-CE1 4.04Å; L93-F107 HydrophobicContact CG-CE2 4.31Å; L93-F107 HydrophobicContact CG-CZ 3.43Å; L93-F107 VanDerWaalsContact CG-CZ 3.43Å
94	R	87.7	Confident	85.2	Confident	42 Å²	42	55 Å²	55	16%	0.158	28%	0.279	C	S	.	.	H	α-helix	trans	-59.7	-46.8	173.6	-175.4	-178.3	-64.5	-94.4	0.8	111.6	A90 D91 I92 L96 A97 S98	A90-R94 WeakPolarHBondContact O-CB 3.45Å; A90-R94 PolarHBondContact O-N 3.05Å; D91-R94 PolarHBondContact O-N 3.25Å; I92-R94 PolarHBondContact O-N 2.89Å; R94-L96 VanDerWaalsContact C-N 3.33Å; R94-L96 PolarHBondContact O-N 3.18Å; R94-A97 PolarHBondContact O-N 2.88Å; R94-S98 PolarHBondContact O-N 2.97Å; R94-S98 PolarHBondContact O-OG 3.13Å
95	R	88	Confident	84	Confident	169 Å²	169	60.6 Å²	60.6	64%	0.638	31%	0.305	S	S	*	.	H	α-helix	trans	-62.5	-40.2	176.2	-67.6	174.9	-167.1	-161.1	3.8	111.7	D91 I92 S98 K99	D91-R95 WeakPolarHBondContact O-CG 3.43Å; D91-R95 PolarHBondContact O-N 3.38Å; D91-R95 IonicContact OD1-NE 3.14Å; D91-R95 IonicContact OD2-CZ 3.31Å; D91-R95 IonicContact OD2-NE 3.07Å; D91-R95 PolarHBondContact OD2-NE 3.2Å; D91-R95 IonicContact OD2-NH2 2.7Å; D91-R95 PolarHBondContact OD2-NH2 3.1Å; I92-R95 PolarHBondContact O-N 3.18Å; R95-S98 PolarHBondContact O-N 3.13Å; R95-K99 WeakPolarHBondContact O-CB 3.37Å; R95-K99 PolarHBondContact O-N 3.46Å
96	L	89	Confident	82.8	Confident	29 Å²	29	60.3 Å²	60.3	15%	0.152	31%	0.307	C	S	.	.	H	α-helix	trans	-64	-43.8	176.9	-154.3	100.2	0	0	0	111.4	L36 M39 L47 I92 L93 R94 K99 N100	L36-L96 HydrophobicContact CD1-CB 4.41Å; L36-L96 HydrophobicContact CD1-CD2 3.39Å; L36-L96 HydrophobicContact CD1-CG 4.33Å; M39-L96 HydrophobicContact CB-CD2 4.16Å; M39-L96 HydrophobicContact CE-CD2 4.2Å; M39-L96 HydrophobicContact SD-CD2 4.48Å; L47-L96 HydrophobicContact CD1-CD1 3.93Å; I92-L96 WeakPolarHBondContact O-CB 3.44Å; I92-L96 PolarHBondContact O-N 3.11Å; L93-L96 PolarHBondContact O-N 2.9Å; R94-L96 VanDerWaalsContact C-N 3.33Å; R94-L96 PolarHBondContact O-N 3.18Å; L96-K99 PolarHBondContact O-N 3.19Å; L96-N100 PolarHBondContact O-N 2.92Å; L96-N100 VanDerWaalsContact O-N 3.1Å; L96-N100 PolarHBondContact O-ND2 3.28Å
97	A	88.6	Confident	81.7	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-47.7	176.7	0	0	0	0	0	111.3	L36 L93 R94 K99 N100 G101 I102 F107	L36-A97 HydrophobicContact CD2-CB 3.97Å; L93-A97 WeakPolarHBondContact O-CB 3.17Å; L93-A97 PolarHBondContact O-N 3.16Å; R94-A97 PolarHBondContact O-N 2.88Å; A97-K99 PolarHBondContact O-N 3.3Å; A97-N100 CarbonylContact O-C 3.48Å; A97-N100 PolarHBondContact O-N 2.62Å; A97-N100 VanDerWaalsContact O-N 3.1Å; A97-G101 PolarHBondContact O-N 3.3Å; A97-I102 HydrophobicContact CB-CB 4.22Å; A97-I102 HydrophobicContact CB-CD1 4.44Å; A97-I102 PolarHBondContact O-N 3.06Å; A97-F107 HydrophobicContact CB-CB 4.49Å; A97-F107 HydrophobicContact CB-CD1 3.82Å; A97-F107 HydrophobicContact CB-CD2 4.09Å; A97-F107 HydrophobicContact CB-CE1 4.16Å; A97-F107 HydrophobicContact CB-CE2 4.39Å; A97-F107 HydrophobicContact CB-CG 3.83Å; A97-F107 HydrophobicContact CB-CZ 4.48Å
98	S	87.6	Confident	80.6	Confident	66 Å²	66	55.1 Å²	55.1	46%	0.462	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-41.7	176.3	-60	0	0	0	0	112.4	R94 R95 N100 G101	R94-S98 PolarHBondContact O-N 2.97Å; R94-S98 PolarHBondContact O-OG 3.13Å; R95-S98 PolarHBondContact O-N 3.13Å; S98-N100 PolarHBondContact O-N 3.38Å; S98-G101 PolarHBondContact O-N 3.36Å
99	K	88.4	Confident	79.2	Confident	187 Å²	187	47.2 Å²	47.2	81%	0.813	25%	0.249	S	C	*	.	H	α-helix	trans	-61.7	-29.2	175.8	-172.9	177.9	178.7	-177.4	0	112.6	R95 L96 A97 G101	R95-K99 WeakPolarHBondContact O-CB 3.37Å; R95-K99 PolarHBondContact O-N 3.46Å; L96-K99 PolarHBondContact O-N 3.19Å; A97-K99 PolarHBondContact O-N 3.3Å; K99-G101 VanDerWaalsContact C-N 3.32Å
100	N	85.4	Confident	77.8	Confident	55 Å²	55	49 Å²	49	29%	0.294	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	10.9	176.7	-73.9	-79.6	0	0	0	113.6	M39 L96 A97 S98 I102	M39-N100 HydrophobicContact CE-CB 4.36Å; M39-N100 WeakPolarHBondContact CE-ND2 3.36Å; M39-N100 VanDerWaalsContact CE-OD1 3.26Å; M39-N100 WeakPolarHBondContact CE-OD1 3.39Å; L96-N100 PolarHBondContact O-N 2.92Å; L96-N100 VanDerWaalsContact O-N 3.1Å; L96-N100 PolarHBondContact O-ND2 3.28Å; A97-N100 CarbonylContact O-C 3.48Å; A97-N100 PolarHBondContact O-N 2.62Å; A97-N100 VanDerWaalsContact O-N 3.1Å; S98-N100 PolarHBondContact O-N 3.38Å; N100-I102 VanDerWaalsContact C-N 3.3Å; N100-I102 PolarHBondContact O-N 3.28Å
101	G	85.3	Confident	76.4	Confident	42 Å²	42	51.5 Å²	51.5	43%	0.433	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	24.9	175	0	0	0	0	0	114.1	K32 A97 S98 K99	K32-G101 WeakPolarHBondContact CD-O 3.21Å; K32-G101 PolarHBondContact NZ-O 3.38Å; A97-G101 PolarHBondContact O-N 3.3Å; S98-G101 PolarHBondContact O-N 3.36Å; K99-G101 VanDerWaalsContact C-N 3.32Å
102	I	83.1	Confident	74.9	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.031	26%	0.259	C	S	.	.			trans	-87.2	128.4	169.2	-59.7	167.3	0	0	0	107.1	K32 E33 L36 A97 N100 S106 F107	K32-I102 HydrophobicContact CB-CD1 4.3Å; K32-I102 HydrophobicContact CB-CG1 3.76Å; E33-I102 HydrophobicContact CG-CD1 4.45Å; L36-I102 HydrophobicContact CB-CD1 3.66Å; L36-I102 HydrophobicContact CD2-CD1 3.47Å; L36-I102 VanDerWaalsContact CD2-CD1 3.47Å; L36-I102 HydrophobicContact CG-CD1 4.13Å; A97-I102 HydrophobicContact CB-CB 4.22Å; A97-I102 HydrophobicContact CB-CD1 4.44Å; A97-I102 PolarHBondContact O-N 3.06Å; N100-I102 VanDerWaalsContact C-N 3.3Å; N100-I102 PolarHBondContact O-N 3.28Å; I102-S106 WeakPolarHBondContact CG2-OG 3.34Å; I102-F107 HydrophobicContact CG2-CB 3.85Å
103	A	72.4	Confident	73.2	Confident	33 Å²	33	49 Å²	49	27%	0.273	25%	0.252	S	S	.	.			trans	-74.1	142.9	-175.2	0	0	0	0	0	110.4	E105 S106 F107	A103-E105 HydrophobicContact CB-CG 4.33Å; A103-E105 WeakPolarHBondContact CB-OE1 3.49Å; A103-E105 WeakPolarHBondContact CB-OE2 3.41Å; A103-E105 PolarHBondContact O-N 3.07Å; A103-E105 VanDerWaalsContact O-N 3.14Å; A103-S106 PolarHBondContact N-OG 2.99Å; A103-S106 PolarHBondContact O-N 3.34Å; A103-S106 PolarHBondContact O-OG 2.7Å; A103-F107 PolarHBondContact O-N 3.34Å
104	P	66.6	Low	71.4	Confident	58 Å²	58	53.5 Å²	53.5	38%	0.377	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25	-176.9	23.4	-32.4	0	0	0	113.2	F107	P104-F107 CarbonylContact O-C 3.6Å
105	E	62.3	Low	69.8	Low	117 Å²	117	56 Å²	56	55%	0.547	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-25.9	175.4	67.2	-81.3	-172	0	0	113.8	A103 F107	A103-E105 HydrophobicContact CB-CG 4.33Å; A103-E105 WeakPolarHBondContact CB-OE1 3.49Å; A103-E105 WeakPolarHBondContact CB-OE2 3.41Å; A103-E105 PolarHBondContact O-N 3.07Å; A103-E105 VanDerWaalsContact O-N 3.14Å; E105-F107 VanDerWaalsContact C-N 3.31Å
106	S	58.5	Low	68	Low	39 Å²	39	51.6 Å²	51.6	27%	0.273	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-9.3	174.5	66.1	0	0	0	0	112.2	N80 I102 A103	N80-S106 WeakPolarHBondContact CB-O 3.47Å; I102-S106 WeakPolarHBondContact CG2-OG 3.34Å; A103-S106 PolarHBondContact N-OG 2.99Å; A103-S106 PolarHBondContact O-N 3.34Å; A103-S106 PolarHBondContact O-OG 2.7Å
107	F	60.4	Low	66.2	Low	5 Å²	5	58.6 Å²	58.6	2%	0.022	33%	0.327	C	S	.	.			trans	-125	101	-174.1	-174.4	-97.5	0	0	0	111.5	L36 Y82 L93 A97 I102 A103 P104 E105 P109	L36-F107 HydrophobicContact CD2-CD2 3.95Å; L36-F107 HydrophobicContact CD2-CE2 3.68Å; Y82-F107 HydrophobicContact CD2-CD2 4.3Å; Y82-F107 AromaticContact CD2-CE2 3.4Å; Y82-F107 HydrophobicContact CD2-CE2 3.4Å; Y82-F107 HydrophobicContact CD2-CZ 4.09Å; Y82-F107 AromaticContact CE2-CE2 3.82Å; Y82-F107 HydrophobicContact CE2-CE2 3.82Å; Y82-F107 HydrophobicContact CG-CE2 4.09Å; Y82-F107 HydrophobicContact CG-CZ 4.36Å; L93-F107 HydrophobicContact CB-CZ 4.47Å; L93-F107 HydrophobicContact CD1-CZ 4.31Å; L93-F107 HydrophobicContact CD2-CE1 4.34Å; L93-F107 HydrophobicContact CD2-CE2 4.35Å; L93-F107 HydrophobicContact CD2-CZ 3.49Å; L93-F107 VanDerWaalsContact CD2-CZ 3.49Å; L93-F107 HydrophobicContact CG-CE1 4.04Å; L93-F107 HydrophobicContact CG-CE2 4.31Å; L93-F107 HydrophobicContact CG-CZ 3.43Å; L93-F107 VanDerWaalsContact CG-CZ 3.43Å; A97-F107 HydrophobicContact CB-CB 4.49Å; A97-F107 HydrophobicContact CB-CD1 3.82Å; A97-F107 HydrophobicContact CB-CD2 4.09Å; A97-F107 HydrophobicContact CB-CE1 4.16Å; A97-F107 HydrophobicContact CB-CE2 4.39Å; A97-F107 HydrophobicContact CB-CG 3.83Å; A97-F107 HydrophobicContact CB-CZ 4.48Å; I102-F107 HydrophobicContact CG2-CB 3.85Å; A103-F107 PolarHBondContact O-N 3.34Å; P104-F107 CarbonylContact O-C 3.6Å; E105-F107 VanDerWaalsContact C-N 3.31Å; F107-P109 HydrophobicContact CD1-CG 4.25Å; F107-P109 HydrophobicContact CE1-CB 3.78Å; F107-P109 HydrophobicContact CE1-CG 3.68Å; F107-P109 HydrophobicContact CZ-CB 4.15Å; F107-P109 VanDerWaalsContact O-CD 3.28Å; F107-P109 WeakPolarHBondContact O-CD 3.5Å
108	L	60.3	Low	64.2	Low	21 Å²	21	63.2 Å²	63.2	11%	0.11	35%	0.347	C	S	.	.			trans	-104.2	101.8	174.5	-63.7	177	0	0	0	109.3	P77 S81 Y82 Y110	P77-L108 HydrophobicContact CB-CD1 4.4Å; S81-L108 VanDerWaalsContact CA-O 3.32Å; S81-L108 WeakPolarHBondContact CA-O 3.15Å; S81-L108 WeakPolarHBondContact CB-O 3.19Å; Y82-L108 PolarHBondContact N-O 3.38Å; L108-Y110 HydrophobicContact CB-CD2 4.32Å; L108-Y110 HydrophobicContact CB-CE2 3.62Å; L108-Y110 HydrophobicContact CD1-CE2 4.38Å; L108-Y110 WeakPolarHBondContact CD1-OH 3.09Å; L108-Y110 WeakPolarHBondContact O-CD2 3.44Å; L108-Y110 PolarHBondContact O-N 3.19Å
109	P	57	Low	62.4	Low	1 Å²	1	67.5 Å²	67.5	1%	0.006	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	109.1	166.1	29.3	-28.5	0	0	0	108	Y82 A90 F107	Y82-P109 CarbonylContact O-C 3.52Å; Y82-P109 WeakPolarHBondContact O-CA 3.41Å; A90-P109 HydrophobicContact CB-CB 4.28Å; F107-P109 HydrophobicContact CD1-CG 4.25Å; F107-P109 HydrophobicContact CE1-CB 3.78Å; F107-P109 HydrophobicContact CE1-CG 3.68Å; F107-P109 HydrophobicContact CZ-CB 4.15Å; F107-P109 VanDerWaalsContact O-CD 3.28Å; F107-P109 WeakPolarHBondContact O-CD 3.5Å
110	Y	59.4	Low	60.1	Low	41 Å²	41	61.2 Å²	61.2	16%	0.161	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.8	167.8	-73.3	-90.9	0	0	0	108.9	L78 S81 Y82 V83 C84 L108 I121	L78-Y110 HydrophobicContact CD2-CE1 3.89Å; L78-Y110 HydrophobicContact CD2-CE2 3.51Å; L78-Y110 WeakPolarHBondContact CD2-OH 3.34Å; S81-Y110 VanDerWaalsContact CB-CD2 3.43Å; S81-Y110 WeakPolarHBondContact OG-CD2 3.45Å; S81-Y110 WeakPolarHBondContact OG-CE2 3.22Å; Y82-Y110 PolarHBondContact O-N 2.93Å; V83-Y110 CarbonylContact C-O 3.26Å; V83-Y110 WeakPolarHBondContact CA-O 3.47Å; C84-Y110 PolarHBondContact N-O 2.74Å; L108-Y110 HydrophobicContact CB-CD2 4.32Å; L108-Y110 HydrophobicContact CB-CE2 3.62Å; L108-Y110 HydrophobicContact CD1-CE2 4.38Å; L108-Y110 WeakPolarHBondContact CD1-OH 3.09Å; L108-Y110 WeakPolarHBondContact O-CD2 3.44Å; L108-Y110 PolarHBondContact O-N 3.19Å; Y110-I121 HydrophobicContact CD1-CG1 4.04Å; Y110-I121 HydrophobicContact CD1-CG2 4.33Å; Y110-I121 HydrophobicContact CE1-CB 4.17Å; Y110-I121 HydrophobicContact CE1-CD1 4.06Å; Y110-I121 HydrophobicContact CE1-CG1 3.75Å; Y110-I121 HydrophobicContact CE1-CG2 3.63Å
111	R	57.2	Low	58.4	Low	52 Å²	52	63.3 Å²	63.3	20%	0.196	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.6	-179.6	-57.8	-178.2	-173.4	156.4	7.3	108.5	A90 T120 C122	A90-R111 HydrophobicContact CB-CG 3.89Å; R111-T120 PolarHBondContact O-N 2.9Å; R111-C122 WeakPolarHBondContact CD-SG 3.24Å; R111-C122 PolarHBondContact NE-SG 3.3Å; R111-C122 PolarHBondContact NH1-SG 2.9Å; R111-C122 PolarHBondContact NH2-SG 3.43Å
112	L	56	Low	56.2	Low	35 Å²	35	62 Å²	62	18%	0.183	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	91.9	169.4	177.8	51.9	0	0	0	108.1	V83 C84 D85 L114 Y119	V83-L112 HydrophobicContact CG1-CB 3.86Å; V83-L112 HydrophobicContact CG1-CD2 4.46Å; C84-L112 PolarHBondContact O-N 3.4Å; D85-L112 CarbonylContact C-O 3.59Å; D85-L112 VanDerWaalsContact C-O 3.26Å; D85-L112 WeakPolarHBondContact CA-O 3.32Å; L112-L114 HydrophobicContact CD1-CD2 4.14Å; L112-L114 HydrophobicContact CD2-CD2 3.89Å; L112-L114 HydrophobicContact CD2-CG 4.37Å; L112-L114 HydrophobicContact CG-CD2 3.86Å; L112-L114 HydrophobicContact CG-CG 4.06Å; L112-L114 PolarHBondContact O-N 2.84Å; L112-Y119 HydrophobicContact CD1-CD1 3.59Å; L112-Y119 HydrophobicContact CD1-CD2 4.49Å; L112-Y119 HydrophobicContact CD1-CE1 3.19Å; L112-Y119 HydrophobicContact CD1-CE2 4.14Å; L112-Y119 HydrophobicContact CD1-CG 4.23Å; L112-Y119 VanDerWaalsContact CD1-CZ 3.48Å; L112-Y119 HydrophobicContact CD2-CE1 4.31Å; L112-Y119 HydrophobicContact CG-CE1 4.27Å
113	D	54.1	Low	54.1	Low	31 Å²	31	68.5 Å²	68.5	17%	0.166	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	96.7	170.9	-177.3	-4.1	0	0	0	108.7	F87 A115 T116 K117 K118	F87-D113 HydrophobicContact CE2-CB 4.5Å; D113-A115 PolarHBondContact O-N 2.84Å; D113-A115 WeakPolarHBondContact OD1-CB 3.49Å; D113-A115 PolarHBondContact OD1-N 2.61Å; D113-T116 WeakPolarHBondContact CB-OG1 3.26Å; D113-T116 PolarHBondContact O-N 3.1Å; D113-T116 PolarHBondContact OD1-N 3.13Å; D113-T116 VanDerWaalsContact OD2-CG2 3.26Å; D113-T116 WeakPolarHBondContact OD2-CG2 3.31Å; D113-T116 PolarHBondContact OD2-OG1 2.79Å; D113-K117 WeakPolarHBondContact O-CA 3.32Å; D113-K117 PolarHBondContact O-N 2.93Å; D113-K118 PolarHBondContact N-O 2.94Å; D113-K118 PolarHBondContact O-N 3.19Å
114	L	53	Low	52.3	Low	93 Å²	93	70.6 Å²	70.6	49%	0.487	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-24.8	178.8	-70.5	172.5	0	0	0	112.4	D85 L112	D85-L114 WeakPolarHBondContact OD1-CD1 3.45Å; L112-L114 HydrophobicContact CD1-CD2 4.14Å; L112-L114 HydrophobicContact CD2-CD2 3.89Å; L112-L114 HydrophobicContact CD2-CG 4.37Å; L112-L114 HydrophobicContact CG-CD2 3.86Å; L112-L114 HydrophobicContact CG-CG 4.06Å; L112-L114 PolarHBondContact O-N 2.84Å
115	A	52.6	Low	50.5	Low	96 Å²	96	75.5 Å²	75.5	79%	0.793	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-37.3	179.8	0	0	0	0	0	111.4	D113	D113-A115 PolarHBondContact O-N 2.84Å; D113-A115 WeakPolarHBondContact OD1-CB 3.49Å; D113-A115 PolarHBondContact OD1-N 2.61Å
116	T	51.6	Low	48.9	Very low	75 Å²	75	72.3 Å²	72.3	46%	0.46	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-5.9	177.8	60.3	0	0	0	0	113.7	D113 K118	D113-T116 WeakPolarHBondContact CB-OG1 3.26Å; D113-T116 PolarHBondContact O-N 3.1Å; D113-T116 PolarHBondContact OD1-N 3.13Å; D113-T116 VanDerWaalsContact OD2-CG2 3.26Å; D113-T116 WeakPolarHBondContact OD2-CG2 3.31Å; D113-T116 PolarHBondContact OD2-OG1 2.79Å; T116-K118 PolarHBondContact O-N 2.85Å; T116-K118 VanDerWaalsContact O-N 3.07Å; T116-K118 WeakPolarHBondContact OG1-CB 3.33Å
117	K	50.3	Low	47.3	Very low	177 Å²	177	76.5 Å²	76.5	77%	0.77	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	22.8	-168.5	-64	-175	177.7	-179.4	0	112.8	D113	D113-K117 WeakPolarHBondContact O-CA 3.32Å; D113-K117 PolarHBondContact O-N 2.93Å
118	K	46.5	Very low	45.9	Very low	97 Å²	97	80.5 Å²	80.5	42%	0.422	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.1	178.9	-68.1	-161.7	178.3	-150.9	0	109.8	D113 T116 L234	D113-K118 PolarHBondContact N-O 2.94Å; D113-K118 PolarHBondContact O-N 3.19Å; T116-K118 PolarHBondContact O-N 2.85Å; T116-K118 VanDerWaalsContact O-N 3.07Å; T116-K118 WeakPolarHBondContact OG1-CB 3.33Å; K118-L234 PolarHBondContact NZ-OXT 3.15Å
119	Y	49.9	Very low	44.2	Very low	157 Å²	157	89.5 Å²	89.5	62%	0.616	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	109.8	166.9	-62.8	-97.6	0	0	0	106.8	L112	L112-Y119 HydrophobicContact CD1-CD1 3.59Å; L112-Y119 HydrophobicContact CD1-CD2 4.49Å; L112-Y119 HydrophobicContact CD1-CE1 3.19Å; L112-Y119 HydrophobicContact CD1-CE2 4.14Å; L112-Y119 HydrophobicContact CD1-CG 4.23Å; L112-Y119 VanDerWaalsContact CD1-CZ 3.48Å; L112-Y119 HydrophobicContact CD2-CE1 4.31Å; L112-Y119 HydrophobicContact CG-CE1 4.27Å
120	T	40.8	Very low	42.7	Very low	54 Å²	54	92.7 Å²	92.7	33%	0.331	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	111.7	175	-51.1	0	0	0	0	109.2	R111 C122	R111-T120 PolarHBondContact O-N 2.9Å; T120-C122 PolarHBondContact O-N 2.82Å
121	I	48.2	Very low	41.5	Very low	99 Å²	99	98.4 Å²	98.4	51%	0.508	55%	0.549	S	S	.	.			trans	-72	120.8	169.4	-54.2	-179.5	0	0	0	107.2	Y110 Q123	Y110-I121 HydrophobicContact CD1-CG1 4.04Å; Y110-I121 HydrophobicContact CD1-CG2 4.33Å; Y110-I121 HydrophobicContact CE1-CB 4.17Å; Y110-I121 HydrophobicContact CE1-CD1 4.06Å; Y110-I121 HydrophobicContact CE1-CG1 3.75Å; Y110-I121 HydrophobicContact CE1-CG2 3.63Å; I121-Q123 VanDerWaalsContact C-N 3.3Å; I121-Q123 HydrophobicContact CG2-CG 3.73Å; I121-Q123 PolarHBondContact O-N 3.17Å
122	C	40.4	Very low	40.2	Very low	16 Å²	16	102 Å²	102	11%	0.108	58%	0.576	C	S	.	*			trans	-95.3	73.4	174.3	-66.5	0	0	0	0	108.6	R111 T120 V124	R111-C122 WeakPolarHBondContact CD-SG 3.24Å; R111-C122 PolarHBondContact NE-SG 3.3Å; R111-C122 PolarHBondContact NH1-SG 2.9Å; R111-C122 PolarHBondContact NH2-SG 3.43Å; T120-C122 PolarHBondContact O-N 2.82Å; C122-V124 PolarHBondContact O-N 3.47Å
123	Q	38.9	Very low	39	Very low	141 Å²	141	104.6 Å²	104.6	66%	0.659	60%	0.598	S	S	*	*			trans	-62.8	121.7	162.9	-71.5	-149.4	-25.1	0	0	107.5	I121 N125	I121-Q123 VanDerWaalsContact C-N 3.3Å; I121-Q123 HydrophobicContact CG2-CG 3.73Å; I121-Q123 PolarHBondContact O-N 3.17Å; Q123-N125 PolarHBondContact O-N 2.98Å
124	V	35.1	Very low	38.1	Very low	77 Å²	77	107.5 Å²	107.5	47%	0.467	62%	0.617	S	S	.	*			trans	-77.7	117.1	166.2	-148.5	0	0	0	0	104.7	C122 G126	C122-V124 PolarHBondContact O-N 3.47Å; V124-G126 PolarHBondContact O-N 2.82Å
125	N	27	Very low	37.5	Very low	161 Å²	161	112 Å²	112	86%	0.861	64%	0.635	S	S	*	*			trans	-63.6	80.7	168.7	-74.4	-17.1	0	0	0	108.4	Q123	Q123-N125 PolarHBondContact O-N 2.98Å
126	G	29.1	Very low	36.7	Very low	50 Å²	50	109.7 Å²	109.7	52%	0.515	61%	0.613	S	S	.	*			trans	-107.7	98.7	170	0	0	0	0	0	107.8	V124 S128	V124-G126 PolarHBondContact O-N 2.82Å; G126-S128 VanDerWaalsContact C-N 3.32Å; G126-S128 PolarHBondContact O-N 3.16Å
127	S	24.6	Very low	36	Very low	127 Å²	127	114.1 Å²	114.1	89%	0.888	63%	0.626	S	S	*	*			trans	-57.9	92.9	163.4	45.8	0	0	0	0	109.3
128	S	31.2	Very low	35.9	Very low	90 Å²	90	107.5 Å²	107.5	63%	0.629	60%	0.602	S	S	*	*			trans	-131.4	81.9	-177.2	-65.2	0	0	0	0	111.6	G126 G130	G126-S128 VanDerWaalsContact C-N 3.32Å; G126-S128 PolarHBondContact O-N 3.16Å; S128-G130 PolarHBondContact O-N 3.35Å; S128-G130 VanDerWaalsContact O-N 3.17Å
129	Q	25.9	Very low	36	Very low	210 Å²	210	105.4 Å²	105.4	98%	0.981	60%	0.595	S	S	*	*			trans	-59.1	105.4	143.9	-66.7	-178.4	14.3	0	0	106.9
130	G	25.9	Very low	36.2	Very low	67 Å²	67	108 Å²	108	69%	0.691	60%	0.604	S	S	*	*			trans	153.3	35.3	173.8	0	0	0	0	0	118.9	S128 T132	S128-G130 PolarHBondContact O-N 3.35Å; S128-G130 VanDerWaalsContact O-N 3.17Å; G130-T132 PolarHBondContact O-N 3.08Å
131	M	33.5	Very low	37.3	Very low	162 Å²	162	108.3 Å²	108.3	80%	0.798	61%	0.608	S	S	*	*			trans	-79.1	117.3	161.9	-100.7	163.7	75.4	0	0	109.9	S133	M131-S133 VanDerWaalsContact C-N 3.3Å; M131-S133 PolarHBondContact O-N 3.12Å
132	T	29.2	Very low	38.3	Very low	126 Å²	126	106 Å²	106	77%	0.773	60%	0.595	S	S	*	*			trans	-60.1	83	175.4	46.9	0	0	0	0	112.3	G130 T134	G130-T132 PolarHBondContact O-N 3.08Å; T132-T134 VanDerWaalsContact C-N 3.32Å; T132-T134 PolarHBondContact O-N 3.27Å
133	S	30.7	Very low	40.2	Very low	91 Å²	91	108.7 Å²	108.7	64%	0.636	61%	0.613	S	S	*	*	S	Bend		52.1	-5	127.7	64.1	0	0	0	0	123.2	M131	M131-S133 VanDerWaalsContact C-N 3.3Å; M131-S133 PolarHBondContact O-N 3.12Å
134	T	36.2	Very low	42.2	Very low	92 Å²	92	103.3 Å²	103.3	56%	0.564	60%	0.596	S	S	*	*	S	Bend	trans	-120.7	-25.3	-174.5	-47.9	0	0	0	0	117.1	T132	T132-T134 VanDerWaalsContact C-N 3.32Å; T132-T134 PolarHBondContact O-N 3.27Å
135	Q	39.5	Very low	44.6	Very low	187 Å²	187	99.9 Å²	99.9	87%	0.874	58%	0.577	S	S	*	*	S	Bend	trans	-98.8	-12	173.2	-90.5	-179.8	-11.4	0	0	114.6	K137	Q135-K137 VanDerWaalsContact C-N 3.33Å; Q135-K137 PolarHBondContact O-N 3.27Å
136	C	35.7	Very low	47.3	Very low	48 Å²	48	96.9 Å²	96.9	32%	0.324	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.2	14.7	-178.4	-163.5	0	0	0	0	114.1	S138	C136-S138 VanDerWaalsContact C-N 3.28Å; C136-S138 PolarHBondContact O-N 3.03Å
137	K	37.9	Very low	49.9	Very low	167 Å²	167	98.9 Å²	98.9	73%	0.726	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-20.3	178	-70.8	-173.8	179.7	-179.8	0	113	Q135	Q135-K137 VanDerWaalsContact C-N 3.33Å; Q135-K137 PolarHBondContact O-N 3.27Å
138	S	48.4	Very low	52.9	Low	38 Å²	38	93.9 Å²	93.9	27%	0.266	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-36	179.1	-169.4	0	0	0	0	113.3	R69 C136 R140 S141	R69-S138 PolarHBondContact NE-OG 3.1Å; R69-S138 PolarHBondContact NH2-OG 2.88Å; R69-S138 VanDerWaalsContact NH2-OG 3.07Å; C136-S138 VanDerWaalsContact C-N 3.28Å; C136-S138 PolarHBondContact O-N 3.03Å; S138-R140 VanDerWaalsContact C-N 3.28Å; S138-R140 PolarHBondContact O-N 2.94Å; S138-S141 VanDerWaalsContact O-CB 3.32Å; S138-S141 WeakPolarHBondContact O-CB 3.26Å; S138-S141 PolarHBondContact O-N 3.07Å; S138-S141 PolarHBondContact O-OG 3.35Å
139	L	48.8	Very low	55.7	Low	53 Å²	53	92 Å²	92	28%	0.277	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-59.6	-43.2	179.8	-86.2	82.4	0	0	0	110.8	S141 F142 R147	L139-S141 PolarHBondContact O-N 2.76Å; L139-F142 PolarHBondContact O-N 2.87Å; L139-R147 PolarHBondContact O-NE 3.37Å; L139-R147 VanDerWaalsContact O-NE 3.16Å; L139-R147 PolarHBondContact O-NH2 3.23Å
140	R	53.5	Low	58.8	Low	211 Å²	211	83.1 Å²	83.1	80%	0.796	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-62.5	-8.1	176.2	-63.6	-173.2	-170.8	-159.9	0.3	114.6	S138	S138-R140 VanDerWaalsContact C-N 3.28Å; S138-R140 PolarHBondContact O-N 2.94Å
141	S	64.2	Low	61.8	Low	62 Å²	62	83.1 Å²	83.1	43%	0.434	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-77.6	-25.1	177.3	75.5	0	0	0	0	113.3	R69 S138 L139	R69-S141 PolarHBondContact NH2-OG 2.98Å; S138-S141 VanDerWaalsContact O-CB 3.32Å; S138-S141 WeakPolarHBondContact O-CB 3.26Å; S138-S141 PolarHBondContact O-N 3.07Å; S138-S141 PolarHBondContact O-OG 3.35Å; L139-S141 PolarHBondContact O-N 2.76Å
142	F	68.5	Low	64.7	Low	50 Å²	50	75.6 Å²	75.6	22%	0.219	41%	0.407	C	S	.	.	S	Bend	trans	-84.9	133.6	174.7	-74.3	-80.4	0	0	0	110.7	R69 C73 L139 E146 R147	R69-F142 HydrophobicContact CG-CE2 4.4Å; C73-F142 HydrophobicContact CB-CD2 4.04Å; C73-F142 HydrophobicContact CB-CE2 3.95Å; C73-F142 VanDerWaalsContact SG-CE2 3.52Å; L139-F142 PolarHBondContact O-N 2.87Å; F142-E146 VanDerWaalsContact CA-OE2 3.26Å; F142-E146 WeakPolarHBondContact CA-OE2 3.41Å; F142-E146 HydrophobicContact CB-CB 4.34Å; F142-E146 HydrophobicContact CD1-CB 3.89Å; F142-E146 WeakPolarHBondContact CD1-OE2 3.4Å; F142-R147 HydrophobicContact CB-CG 3.44Å; F142-R147 VanDerWaalsContact CB-CG 3.44Å; F142-R147 HydrophobicContact CG-CG 4.32Å
143	S	81.1	Confident	67.7	Low	72 Å²	72	72 Å²	72	50%	0.503	39%	0.387	S	S	.	.			trans	-59.8	153.5	166.8	-177.9	0	0	0	0	110.1	G145 E146 R147	S143-G145 VanDerWaalsContact C-N 3.25Å; S143-G145 PolarHBondContact O-N 2.78Å; S143-E146 PolarHBondContact N-OE2 2.96Å; S143-E146 PolarHBondContact O-N 3.34Å; S143-E146 VanDerWaalsContact O-N 3.12Å; S143-R147 PolarHBondContact O-N 3.13Å; S143-R147 VanDerWaalsContact O-N 3.08Å
144	G	80.5	Confident	70.5	Confident	29 Å²	29	69.2 Å²	69.2	30%	0.299	36%	0.364	S	S	.	.	H	α-helix	trans	-52	-46.4	178.3	0	0	0	0	0	111.8	R147 S148 F175	G144-R147 PolarHBondContact O-N 3.21Å; G144-S148 PolarHBondContact O-N 2.97Å; G144-S148 PolarHBondContact O-OG 3.35Å; G144-F175 VanDerWaalsContact C-CB 3.4Å
145	G	84.8	Confident	73.2	Confident	5 Å²	5	66.7 Å²	66.7	5%	0.052	35%	0.347	C	S	.	.	H	α-helix	trans	-66.2	-36.9	178.3	0	0	0	0	0	114.2	S143 R147 S148 F149 F175	S143-G145 VanDerWaalsContact C-N 3.25Å; S143-G145 PolarHBondContact O-N 2.78Å; G145-R147 VanDerWaalsContact C-N 3.32Å; G145-R147 PolarHBondContact O-N 2.59Å; G145-S148 PolarHBondContact O-N 3.27Å; G145-F149 WeakPolarHBondContact O-CB 3.43Å; G145-F149 PolarHBondContact O-N 2.84Å; G145-F175 WeakPolarHBondContact CA-O 3.46Å; G145-F175 PolarHBondContact N-O 3.25Å
146	E	84.5	Confident	75.7	Confident	97 Å²	97	58.8 Å²	58.8	45%	0.453	31%	0.311	S	S	.	.	H	α-helix	trans	-64.2	-39.1	176.7	-66.6	167.2	-175.4	0	0	111.4	F142 S143 F149 A150	F142-E146 VanDerWaalsContact CA-OE2 3.26Å; F142-E146 WeakPolarHBondContact CA-OE2 3.41Å; F142-E146 HydrophobicContact CB-CB 4.34Å; F142-E146 HydrophobicContact CD1-CB 3.89Å; F142-E146 WeakPolarHBondContact CD1-OE2 3.4Å; S143-E146 PolarHBondContact N-OE2 2.96Å; S143-E146 PolarHBondContact O-N 3.34Å; S143-E146 VanDerWaalsContact O-N 3.12Å; E146-F149 PolarHBondContact O-N 3.42Å; E146-A150 VanDerWaalsContact O-CB 3.28Å; E146-A150 WeakPolarHBondContact O-CB 3.33Å; E146-A150 PolarHBondContact O-N 2.66Å
147	R	83.6	Confident	78.3	Confident	93 Å²	93	59.4 Å²	59.4	35%	0.351	32%	0.315	S	S	.	.	H	α-helix	trans	-64.4	-46	175.5	-65.5	-169.3	-168.7	167.1	10.4	111.4	L139 F142 S143 G144 G145 F149 A150 T151	L139-R147 PolarHBondContact O-NE 3.37Å; L139-R147 VanDerWaalsContact O-NE 3.16Å; L139-R147 PolarHBondContact O-NH2 3.23Å; F142-R147 HydrophobicContact CB-CG 3.44Å; F142-R147 VanDerWaalsContact CB-CG 3.44Å; F142-R147 HydrophobicContact CG-CG 4.32Å; S143-R147 PolarHBondContact O-N 3.13Å; S143-R147 VanDerWaalsContact O-N 3.08Å; G144-R147 PolarHBondContact O-N 3.21Å; G145-R147 VanDerWaalsContact C-N 3.32Å; G145-R147 PolarHBondContact O-N 2.59Å; R147-F149 VanDerWaalsContact C-N 3.29Å; R147-F149 PolarHBondContact O-N 3.35Å; R147-A150 PolarHBondContact O-N 3.19Å; R147-T151 WeakPolarHBondContact O-CB 3.28Å; R147-T151 PolarHBondContact O-N 3.26Å; R147-T151 PolarHBondContact O-OG1 3.27Å
148	S	88	Confident	80.7	Confident	21 Å²	21	55 Å²	55	15%	0.147	30%	0.299	C	S	.	.	H	α-helix	trans	-61.2	-41.6	177.8	-55.5	0	0	0	0	110.6	G144 G145 T151 I152 V174 M176	G144-S148 PolarHBondContact O-N 2.97Å; G144-S148 PolarHBondContact O-OG 3.35Å; G145-S148 PolarHBondContact O-N 3.27Å; S148-T151 WeakPolarHBondContact O-CB 3.43Å; S148-T151 PolarHBondContact O-N 3.18Å; S148-I152 WeakPolarHBondContact O-CG1 3.27Å; S148-I152 PolarHBondContact O-N 3.44Å; S148-V174 WeakPolarHBondContact CB-O 3.46Å; S148-V174 PolarHBondContact OG-O 3.49Å; S148-M176 VanDerWaalsContact CB-CE 3.41Å
149	F	90.4	Very high	82.7	Confident	52 Å²	52	53.9 Å²	53.9	23%	0.228	29%	0.289	C	S	.	.	H	α-helix	trans	-68.2	-47.2	-179.4	-171.7	-95.3	0	0	0	111.8	G145 E146 R147 T151 I152 C153 M176 N180 T183 A184 M187	G145-F149 WeakPolarHBondContact O-CB 3.43Å; G145-F149 PolarHBondContact O-N 2.84Å; E146-F149 PolarHBondContact O-N 3.42Å; R147-F149 VanDerWaalsContact C-N 3.29Å; R147-F149 PolarHBondContact O-N 3.35Å; F149-T151 PolarHBondContact O-N 2.68Å; F149-I152 PolarHBondContact O-N 3.41Å; F149-I152 VanDerWaalsContact O-N 3.14Å; F149-C153 PolarHBondContact O-N 3.49Å; F149-C153 PolarHBondContact O-SG 3.08Å; F149-M176 VanDerWaalsContact CA-CE 3.45Å; F149-M176 HydrophobicContact CB-CE 3.97Å; F149-M176 HydrophobicContact CD2-CE 4.48Å; F149-N180 HydrophobicContact CD2-CB 4.5Å; F149-T183 HydrophobicContact CE2-CG2 4.08Å; F149-T183 HydrophobicContact CZ-CG2 4.21Å; F149-A184 HydrophobicContact CD2-CB 4.13Å; F149-A184 HydrophobicContact CE2-CB 4.27Å; F149-M187 HydrophobicContact CD2-CE 4.21Å; F149-M187 HydrophobicContact CE1-CE 4.33Å; F149-M187 HydrophobicContact CE2-CE 3.28Å; F149-M187 HydrophobicContact CZ-CE 3.35Å; F149-M187 HydrophobicContact CZ-SD 4.29Å
150	A	89.8	Confident	84.6	Confident	23 Å²	23	57.2 Å²	57.2	19%	0.19	30%	0.303	C	S	.	.	H	α-helix	trans	-60.6	-32.2	174.5	0	0	0	0	0	112.3	C74 E146 R147 L154	C74-A150 VanDerWaalsContact SG-CB 3.55Å; E146-A150 VanDerWaalsContact O-CB 3.28Å; E146-A150 WeakPolarHBondContact O-CB 3.33Å; E146-A150 PolarHBondContact O-N 2.66Å; R147-A150 PolarHBondContact O-N 3.19Å; A150-L154 WeakPolarHBondContact O-CB 3.33Å; A150-L154 PolarHBondContact O-N 3.45Å
151	T	90.2	Very high	86.1	Confident	66 Å²	66	53.6 Å²	53.6	41%	0.405	30%	0.298	S	S	.	.	H	α-helix	trans	-67.6	-42.1	175.7	-58.5	0	0	0	0	111.2	R147 S148 F149 L154 L155	R147-T151 WeakPolarHBondContact O-CB 3.28Å; R147-T151 PolarHBondContact O-N 3.26Å; R147-T151 PolarHBondContact O-OG1 3.27Å; S148-T151 WeakPolarHBondContact O-CB 3.43Å; S148-T151 PolarHBondContact O-N 3.18Å; F149-T151 PolarHBondContact O-N 2.68Å; T151-L154 PolarHBondContact O-N 3.26Å; T151-L155 VanDerWaalsContact O-CB 3.26Å; T151-L155 WeakPolarHBondContact O-CB 3.36Å; T151-L155 PolarHBondContact O-N 2.92Å
152	I	92.7	Very high	87.2	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-44.9	174.8	-66.3	173.9	0	0	0	110.9	S148 F149 L154 L155 L156 F172 M176 A184 L188	S148-I152 WeakPolarHBondContact O-CG1 3.27Å; S148-I152 PolarHBondContact O-N 3.44Å; F149-I152 PolarHBondContact O-N 3.41Å; F149-I152 VanDerWaalsContact O-N 3.14Å; I152-L154 VanDerWaalsContact C-N 3.35Å; I152-L154 PolarHBondContact O-N 2.9Å; I152-L155 WeakPolarHBondContact O-CB 3.1Å; I152-L155 PolarHBondContact O-N 3.31Å; I152-L156 HydrophobicContact CG2-CD1 4.05Å; I152-L156 HydrophobicContact CG2-CG 4.29Å; I152-L156 WeakPolarHBondContact O-CG 3.23Å; I152-L156 PolarHBondContact O-N 3.17Å; I152-F172 HydrophobicContact CD1-CB 4.35Å; I152-F172 HydrophobicContact CD1-CD2 3.68Å; I152-F172 HydrophobicContact CD1-CG 4.48Å; I152-M176 HydrophobicContact CD1-CE 3.42Å; I152-M176 VanDerWaalsContact CD1-CE 3.42Å; I152-M176 HydrophobicContact CD1-SD 4.41Å; I152-M176 HydrophobicContact CG1-CE 4.33Å; I152-A184 HydrophobicContact CD1-CB 3.72Å; I152-L188 HydrophobicContact CG2-CD2 4.19Å; I152-L188 HydrophobicContact CG2-CG 4.22Å
153	C	92.4	Very high	87.9	Confident	52 Å²	52	57 Å²	57	35%	0.351	32%	0.316	S	S	.	.	H	α-helix	trans	-59	-45.9	176.3	-66.1	0	0	0	0	111.9	F149 L155 L156 S157	F149-C153 PolarHBondContact O-N 3.49Å; F149-C153 PolarHBondContact O-SG 3.08Å; C153-L155 VanDerWaalsContact C-N 3.35Å; C153-L156 PolarHBondContact O-N 3.03Å; C153-S157 PolarHBondContact O-N 3.21Å
154	L	90.8	Very high	87.9	Confident	31 Å²	31	56.6 Å²	56.6	16%	0.162	31%	0.308	C	S	.	.	H	α-helix	trans	-61.1	-45.4	175.1	179.1	61	0	0	0	111.1	V71 C74 L75 A150 T151 I152 L156 S157 L158	V71-L154 HydrophobicContact CG2-CD1 4.33Å; C74-L154 HydrophobicContact CB-CD2 3.51Å; L75-L154 HydrophobicContact CD2-CD2 4Å; L75-L154 HydrophobicContact CG-CD2 4.03Å; A150-L154 WeakPolarHBondContact O-CB 3.33Å; A150-L154 PolarHBondContact O-N 3.45Å; T151-L154 PolarHBondContact O-N 3.26Å; I152-L154 VanDerWaalsContact C-N 3.35Å; I152-L154 PolarHBondContact O-N 2.9Å; L154-L156 PolarHBondContact O-N 3.17Å; L154-S157 PolarHBondContact O-N 2.84Å; L154-S157 PolarHBondContact O-OG 2.93Å; L154-L158 HydrophobicContact CD1-CG 4.5Å; L154-L158 HydrophobicContact CG-CD1 4.2Å; L154-L158 WeakPolarHBondContact O-CG 3.31Å; L154-L158 PolarHBondContact O-N 3.49Å
155	L	92.1	Very high	88	Confident	39 Å²	39	58.8 Å²	58.8	20%	0.204	32%	0.317	C	S	.	.	H	α-helix	trans	-59.8	-47.2	178.5	179.2	70.2	0	0	0	111.9	T151 I152 C153 S157 L158 W159 L169	T151-L155 VanDerWaalsContact O-CB 3.26Å; T151-L155 WeakPolarHBondContact O-CB 3.36Å; T151-L155 PolarHBondContact O-N 2.92Å; I152-L155 WeakPolarHBondContact O-CB 3.1Å; I152-L155 PolarHBondContact O-N 3.31Å; C153-L155 VanDerWaalsContact C-N 3.35Å; L155-S157 VanDerWaalsContact C-N 3.26Å; L155-S157 PolarHBondContact O-N 3.46Å; L155-L158 WeakPolarHBondContact O-CB 3.39Å; L155-L158 PolarHBondContact O-N 3.14Å; L155-L158 VanDerWaalsContact O-N 3.11Å; L155-W159 HydrophobicContact CD1-CD2 4.39Å; L155-W159 HydrophobicContact CD1-CG 4.48Å; L155-W159 HydrophobicContact CD1-CZ2 4.2Å; L155-W159 HydrophobicContact CD2-CD2 4.48Å; L155-W159 HydrophobicContact CD2-CH2 3.89Å; L155-W159 HydrophobicContact CD2-CZ2 3.67Å; L155-W159 HydrophobicContact CD2-CZ3 4.4Å; L155-W159 HydrophobicContact CG-CD2 4.03Å; L155-W159 HydrophobicContact CG-CG 4.39Å; L155-W159 HydrophobicContact CG-CH2 4.45Å; L155-W159 HydrophobicContact CG-CZ2 4Å; L155-W159 WeakPolarHBondContact O-CB 3.39Å; L155-W159 PolarHBondContact O-N 3.17Å; L155-L169 HydrophobicContact CD2-CD1 3.69Å; L155-L169 HydrophobicContact CD2-CD2 3.15Å; L155-L169 HydrophobicContact CD2-CG 3.9Å
156	L	92.1	Very high	88	Confident	22 Å²	22	64.8 Å²	64.8	12%	0.115	34%	0.342	C	S	.	.	H	α-helix	trans	-56.8	-40.3	177.4	-74.2	173.7	0	0	0	111.7	I152 C153 L154 W159 E160 M187 L188 Y191	I152-L156 HydrophobicContact CG2-CD1 4.05Å; I152-L156 HydrophobicContact CG2-CG 4.29Å; I152-L156 WeakPolarHBondContact O-CG 3.23Å; I152-L156 PolarHBondContact O-N 3.17Å; C153-L156 PolarHBondContact O-N 3.03Å; L154-L156 PolarHBondContact O-N 3.17Å; L156-W159 HydrophobicContact CD2-CE3 3.97Å; L156-W159 HydrophobicContact CD2-CZ3 4.27Å; L156-W159 WeakPolarHBondContact O-CB 3.15Å; L156-W159 PolarHBondContact O-N 3.17Å; L156-E160 PolarHBondContact O-N 2.73Å; L156-E160 VanDerWaalsContact O-N 3.08Å; L156-M187 HydrophobicContact CD1-CB 4.04Å; L156-L188 HydrophobicContact CD2-CD2 4.05Å; L156-Y191 HydrophobicContact CD2-CD1 4.1Å; L156-Y191 HydrophobicContact CD2-CD2 3.78Å; L156-Y191 HydrophobicContact CD2-CE2 4.42Å; L156-Y191 HydrophobicContact CD2-CG 3.59Å
157	S	90.7	Very high	88.2	Confident	60 Å²	60	60.4 Å²	60.4	42%	0.42	32%	0.321	S	S	.	.	H	α-helix	trans	-66.7	-41.7	174.6	75.1	0	0	0	0	113.1	C153 L154 L155 W159 E160	C153-S157 PolarHBondContact O-N 3.21Å; L154-S157 PolarHBondContact O-N 2.84Å; L154-S157 PolarHBondContact O-OG 2.93Å; L155-S157 VanDerWaalsContact C-N 3.26Å; L155-S157 PolarHBondContact O-N 3.46Å; S157-W159 PolarHBondContact O-N 3.46Å; S157-E160 WeakPolarHBondContact O-CB 3.35Å; S157-E160 PolarHBondContact O-N 3.26Å
158	L	88.7	Confident	88.4	Confident	74 Å²	74	59 Å²	59	39%	0.387	32%	0.324	S	S	.	.	H	α-helix	trans	-64.6	-35	175.1	-71.7	172.5	0	0	0	111.1	L154 L155 E160 I161 T162	L154-L158 HydrophobicContact CD1-CG 4.5Å; L154-L158 HydrophobicContact CG-CD1 4.2Å; L154-L158 WeakPolarHBondContact O-CG 3.31Å; L154-L158 PolarHBondContact O-N 3.49Å; L155-L158 WeakPolarHBondContact O-CB 3.39Å; L155-L158 PolarHBondContact O-N 3.14Å; L155-L158 VanDerWaalsContact O-N 3.11Å; L158-E160 VanDerWaalsContact C-N 3.32Å; L158-I161 HydrophobicContact CD2-CD1 4.36Å; L158-I161 WeakPolarHBondContact O-CG1 3.45Å; L158-I161 PolarHBondContact O-N 2.84Å; L158-T162 WeakPolarHBondContact O-CB 3.35Å; L158-T162 VanDerWaalsContact O-CG2 3.26Å; L158-T162 WeakPolarHBondContact O-CG2 3.26Å; L158-T162 PolarHBondContact O-N 2.99Å; L158-T162 PolarHBondContact O-OG1 2.92Å
159	W	90.6	Very high	88.4	Confident	16 Å²	16	59.1 Å²	59.1	6%	0.061	32%	0.323	C	S	.	.	H	α-helix	trans	-66.7	-31.1	176.3	-94	12	0	0	0	112.9	L155 L156 S157 I161 T162 R167 L169 L188 Y191 F202 F204	L155-W159 HydrophobicContact CD1-CD2 4.39Å; L155-W159 HydrophobicContact CD1-CG 4.48Å; L155-W159 HydrophobicContact CD1-CZ2 4.2Å; L155-W159 HydrophobicContact CD2-CD2 4.48Å; L155-W159 HydrophobicContact CD2-CH2 3.89Å; L155-W159 HydrophobicContact CD2-CZ2 3.67Å; L155-W159 HydrophobicContact CD2-CZ3 4.4Å; L155-W159 HydrophobicContact CG-CD2 4.03Å; L155-W159 HydrophobicContact CG-CG 4.39Å; L155-W159 HydrophobicContact CG-CH2 4.45Å; L155-W159 HydrophobicContact CG-CZ2 4Å; L155-W159 WeakPolarHBondContact O-CB 3.39Å; L155-W159 PolarHBondContact O-N 3.17Å; L156-W159 HydrophobicContact CD2-CE3 3.97Å; L156-W159 HydrophobicContact CD2-CZ3 4.27Å; L156-W159 WeakPolarHBondContact O-CB 3.15Å; L156-W159 PolarHBondContact O-N 3.17Å; S157-W159 PolarHBondContact O-N 3.46Å; W159-I161 VanDerWaalsContact C-N 3.29Å; W159-I161 PolarHBondContact O-N 2.83Å; W159-T162 WeakPolarHBondContact CA-OG1 3.41Å; W159-R167 HydrophobicContact CD2-CG 4.42Å; W159-R167 HydrophobicContact CH2-CB 4.08Å; W159-R167 HydrophobicContact CZ2-CB 3.75Å; W159-R167 HydrophobicContact CZ2-CG 4.16Å; W159-R167 PolarHBondContact O-NH1 3.11Å; W159-R167 PolarHBondContact O-NH2 3.33Å; W159-L169 HydrophobicContact CH2-CD1 3.54Å; W159-L169 HydrophobicContact CH2-CD2 4.34Å; W159-L169 HydrophobicContact CH2-CG 3.73Å; W159-L169 HydrophobicContact CZ2-CD1 4.26Å; W159-L169 HydrophobicContact CZ2-CD2 4.24Å; W159-L169 HydrophobicContact CZ2-CG 4.04Å; W159-L169 HydrophobicContact CZ3-CD1 4.29Å; W159-L188 HydrophobicContact CH2-CD2 4.39Å; W159-L188 HydrophobicContact CZ3-CD2 3.9Å; W159-Y191 HydrophobicContact CB-CE1 4.35Å; W159-Y191 HydrophobicContact CE3-CD1 4.26Å; W159-Y191 HydrophobicContact CE3-CE1 4.1Å; W159-Y191 PolarHBondContact O-OH 2.82Å; W159-F202 HydrophobicContact CE3-CE1 4.31Å; W159-F202 HydrophobicContact CZ3-CD1 4.31Å; W159-F202 HydrophobicContact CZ3-CE1 4.12Å; W159-F204 AromaticContact CH2-CE1 3.95Å; W159-F204 HydrophobicContact CH2-CE1 3.95Å; W159-F204 HydrophobicContact CZ3-CE1 4.38Å
160	E	87.7	Confident	88.3	Confident	123 Å²	123	59.3 Å²	59.3	58%	0.575	33%	0.327	S	S	*	.	H	α-helix	trans	-66.4	-31.8	174.5	-176.8	156.3	-140	0	0	113.2	L156 S157 L158 Y191 K196	L156-E160 PolarHBondContact O-N 2.73Å; L156-E160 VanDerWaalsContact O-N 3.08Å; S157-E160 WeakPolarHBondContact O-CB 3.35Å; S157-E160 PolarHBondContact O-N 3.26Å; L158-E160 VanDerWaalsContact C-N 3.32Å; E160-Y191 PolarHBondContact N-OH 2.98Å; E160-K196 IonicContact OE1-NZ 3.56Å; E160-K196 PolarHBondContact OE1-NZ 3.04Å
161	I	85.9	Confident	88	Confident	134 Å²	134	62.3 Å²	62.3	69%	0.687	34%	0.337	S	S	*	.	S	Bend	trans	-95.9	-3.7	-179	63.6	169.8	0	0	0	113.8	L158 W159	L158-I161 HydrophobicContact CD2-CD1 4.36Å; L158-I161 WeakPolarHBondContact O-CG1 3.45Å; L158-I161 PolarHBondContact O-N 2.84Å; W159-I161 VanDerWaalsContact C-N 3.29Å; W159-I161 PolarHBondContact O-N 2.83Å
162	T	86	Confident	87.8	Confident	48 Å²	48	60 Å²	60	29%	0.294	32%	0.321	S	S	.	.			trans	-113.6	123.9	-175.3	49.7	0	0	0	0	113.2	L158 W159 L164 R167	L158-T162 WeakPolarHBondContact O-CB 3.35Å; L158-T162 VanDerWaalsContact O-CG2 3.26Å; L158-T162 WeakPolarHBondContact O-CG2 3.26Å; L158-T162 PolarHBondContact O-N 2.99Å; L158-T162 PolarHBondContact O-OG1 2.92Å; W159-T162 WeakPolarHBondContact CA-OG1 3.41Å; T162-L164 PolarHBondContact O-N 2.81Å; T162-L164 VanDerWaalsContact O-N 3.13Å; T162-R167 PolarHBondContact O-NH2 3.29Å
163	D	83.8	Confident	87.6	Confident	135 Å²	135	60 Å²	60	72%	0.722	32%	0.321	S	S	*	.			trans	-89.3	68.6	178.2	-71.8	-44.2	0	0	0	113	R200	D163-R200 IonicContact OD1-CZ 3.22Å; D163-R200 IonicContact OD1-NH1 2.74Å; D163-R200 IonicContact OD1-NH2 3.29Å; D163-R200 PolarHBondContact OD1-NH2 3.44Å
164	L	81.2	Confident	87.2	Confident	65 Å²	65	59.7 Å²	59.7	34%	0.34	32%	0.317	S	S	.	.			trans	-98	131.3	175.6	-60.8	175.8	0	0	0	111.7	T162 R200	T162-L164 PolarHBondContact O-N 2.81Å; T162-L164 VanDerWaalsContact O-N 3.13Å; L164-R200 VanDerWaalsContact N-NH1 3.17Å; L164-R200 PolarHBondContact O-NH1 3.35Å
165	P	81.5	Confident	87	Confident	75 Å²	75	65.7 Å²	65.7	49%	0.487	34%	0.343	S	S	.	.	S	Bend	trans	-72.5	-27.5	-179.6	26.2	-32.6	0	0	0	113.5	R200 Q201	P165-R200 WeakPolarHBondContact O-CA 3.28Å; P165-Q201 PolarHBondContact O-N 2.85Å
166	F	86.1	Confident	86.8	Confident	131 Å²	131	64.8 Å²	64.8	58%	0.575	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.7	177.9	-58	-85.8	0	0	0	109.7	Q201	F166-Q201 CarbonylContact C-O 3.6Å; F166-Q201 WeakPolarHBondContact CA-O 3.4Å; F166-Q201 HydrophobicContact CD1-CB 3.69Å; F166-Q201 HydrophobicContact CD1-CG 4.25Å; F166-Q201 VanDerWaalsContact CD1-OE1 3.23Å; F166-Q201 HydrophobicContact CE1-CB 4.01Å
167	R	88	Confident	86.6	Confident	5 Å²	5	67.8 Å²	67.8	2%	0.019	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	114.5	178	-69.4	177.4	-178.4	-158.9	2.4	108.6	W159 T162 Y191 Q201 F202 I203	W159-R167 HydrophobicContact CD2-CG 4.42Å; W159-R167 HydrophobicContact CH2-CB 4.08Å; W159-R167 HydrophobicContact CZ2-CB 3.75Å; W159-R167 HydrophobicContact CZ2-CG 4.16Å; W159-R167 PolarHBondContact O-NH1 3.11Å; W159-R167 PolarHBondContact O-NH2 3.33Å; T162-R167 PolarHBondContact O-NH2 3.29Å; R167-Y191 PolarHBondContact NH1-OH 2.99Å; R167-Q201 PolarHBondContact N-O 3.39Å; R167-F202 HydrophobicContact CB-CD1 3.88Å; R167-F202 HydrophobicContact CB-CE1 4.12Å; R167-F202 VanDerWaalsContact CD-CE1 3.48Å; R167-F202 HydrophobicContact CG-CE1 4.39Å; R167-F202 CarbonylContact O-C 3.51Å; R167-F202 WeakPolarHBondContact O-CA 3.49Å; R167-I203 PolarHBondContact O-N 2.99Å
168	C	88.1	Confident	86.3	Confident	62 Å²	62	71 Å²	71	42%	0.419	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.7	177.1	60.6	0	0	0	0	110.7	I203	C168-I203 CarbonylContact C-O 3.56Å; C168-I203 WeakPolarHBondContact CA-O 3.14Å; C168-I203 HydrophobicContact CB-CB 4.35Å
169	L	89.1	Confident	86.3	Confident	25 Å²	25	72.4 Å²	72.4	13%	0.131	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138.6	167.5	-70.3	172.7	0	0	0	109.8	L155 W159 F172 L188 I203 F204 F205	L155-L169 HydrophobicContact CD2-CD1 3.69Å; L155-L169 HydrophobicContact CD2-CD2 3.15Å; L155-L169 HydrophobicContact CD2-CG 3.9Å; W159-L169 HydrophobicContact CH2-CD1 3.54Å; W159-L169 HydrophobicContact CH2-CD2 4.34Å; W159-L169 HydrophobicContact CH2-CG 3.73Å; W159-L169 HydrophobicContact CZ2-CD1 4.26Å; W159-L169 HydrophobicContact CZ2-CD2 4.24Å; W159-L169 HydrophobicContact CZ2-CG 4.04Å; W159-L169 HydrophobicContact CZ3-CD1 4.29Å; L169-F172 HydrophobicContact CB-CB 4.2Å; L169-F172 HydrophobicContact CB-CD1 3.94Å; L169-F172 HydrophobicContact CB-CG 4.33Å; L169-F172 HydrophobicContact CD1-CB 4.42Å; L169-L188 HydrophobicContact CD1-CD1 4.13Å; L169-L188 HydrophobicContact CD1-CD2 3.65Å; L169-I203 PolarHBondContact N-O 3.02Å; L169-F204 HydrophobicContact CB-CD1 3.85Å; L169-F204 HydrophobicContact CB-CE1 4.42Å; L169-F204 HydrophobicContact CD1-CD1 4.06Å; L169-F204 HydrophobicContact CD1-CE1 3.92Å; L169-F204 HydrophobicContact CG-CD1 4.16Å; L169-F204 HydrophobicContact CG-CE1 4.23Å; L169-F204 CarbonylContact O-C 3.44Å; L169-F204 WeakPolarHBondContact O-CA 3.46Å; L169-F205 PolarHBondContact O-N 2.83Å
170	D	86.7	Confident	86.2	Confident	55 Å²	55	74.4 Å²	74.4	29%	0.294	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140	176.3	-173.6	30.2	0	0	0	108.9	F172 F205 L232	D170-F172 PolarHBondContact O-N 3.44Å; D170-F205 HydrophobicContact CB-CB 4.36Å; D170-F205 HydrophobicContact CB-CD2 4.48Å; D170-F205 VanDerWaalsContact OD1-CB 3.31Å; D170-F205 WeakPolarHBondContact OD1-CB 3.32Å; D170-L232 HydrophobicContact CB-CD1 4.11Å
171	E	84.5	Confident	86.3	Confident	87 Å²	87	70 Å²	70	41%	0.407	37%	0.365	S	S	.	.	S	Bend	trans	48.6	32.2	178	-71.5	-170.2	-180	0	0	114.4	D173 V174 F205	E171-D173 VanDerWaalsContact C-N 3.25Å; E171-D173 PolarHBondContact O-N 2.85Å; E171-V174 HydrophobicContact CB-CG2 3.65Å; E171-V174 HydrophobicContact CG-CG2 4.19Å; E171-V174 VanDerWaalsContact O-CG2 3.24Å; E171-V174 WeakPolarHBondContact O-CG2 3.18Å; E171-V174 PolarHBondContact O-N 3.2Å; E171-F205 PolarHBondContact N-O 3.43Å
172	F	86.4	Confident	86.4	Confident	18 Å²	18	67.4 Å²	67.4	8%	0.079	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-23	-172.8	65	-88.9	0	0	0	113.6	I152 L169 D170 I185 L188 F204 I210	I152-F172 HydrophobicContact CD1-CB 4.35Å; I152-F172 HydrophobicContact CD1-CD2 3.68Å; I152-F172 HydrophobicContact CD1-CG 4.48Å; L169-F172 HydrophobicContact CB-CB 4.2Å; L169-F172 HydrophobicContact CB-CD1 3.94Å; L169-F172 HydrophobicContact CB-CG 4.33Å; L169-F172 HydrophobicContact CD1-CB 4.42Å; D170-F172 PolarHBondContact O-N 3.44Å; F172-I185 HydrophobicContact CE2-CG1 3.93Å; F172-I185 HydrophobicContact CZ-CG1 4.13Å; F172-L188 HydrophobicContact CD2-CD1 3.84Å; F172-L188 HydrophobicContact CE2-CD1 3.61Å; F172-L188 HydrophobicContact CG-CD1 4.49Å; F172-L188 HydrophobicContact CZ-CD1 4.11Å; F172-F204 HydrophobicContact CE1-CB 3.95Å; F172-I210 HydrophobicContact CZ-CD1 4.41Å
173	D	86.7	Confident	86.6	Confident	3 Å²	3	68 Å²	68	2%	0.016	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	8.6	-177.2	61.7	-13.9	0	0	0	113.4	E171 F175 M176 R181 S206	E171-D173 VanDerWaalsContact C-N 3.25Å; E171-D173 PolarHBondContact O-N 2.85Å; D173-F175 PolarHBondContact O-N 3.14Å; D173-M176 HydrophobicContact CB-SD 4.3Å; D173-M176 WeakPolarHBondContact O-CB 3.43Å; D173-M176 PolarHBondContact O-N 3.05Å; D173-M176 VanDerWaalsContact O-N 3.08Å; D173-R181 HydrophobicContact CB-CG 4.07Å; D173-R181 IonicContact OD2-CZ 3.48Å; D173-R181 VanDerWaalsContact OD2-CZ 3.25Å; D173-R181 IonicContact OD2-NE 3.4Å; D173-R181 PolarHBondContact OD2-NE 3.02Å; D173-R181 IonicContact OD2-NH2 3.45Å; D173-R181 PolarHBondContact OD2-NH2 3.5Å; D173-S206 VanDerWaalsContact CG-OG 3.25Å; D173-S206 PolarHBondContact OD1-OG 3.08Å; D173-S206 PolarHBondContact OD2-OG 2.67Å
174	V	85.4	Confident	86.9	Confident	45 Å²	45	61.5 Å²	61.5	27%	0.273	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	134.8	177.2	-179.6	0	0	0	0	109.7	S148 E171 M176	S148-V174 WeakPolarHBondContact CB-O 3.46Å; S148-V174 PolarHBondContact OG-O 3.49Å; E171-V174 HydrophobicContact CB-CG2 3.65Å; E171-V174 HydrophobicContact CG-CG2 4.19Å; E171-V174 VanDerWaalsContact O-CG2 3.24Å; E171-V174 WeakPolarHBondContact O-CG2 3.18Å; E171-V174 PolarHBondContact O-N 3.2Å; V174-M176 PolarHBondContact O-N 3.43Å
175	F	86.3	Confident	87.3	Confident	158 Å²	158	58.8 Å²	58.8	69%	0.693	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	0.8	-175.8	-46	-65.6	0	0	0	116.6	G144 G145 D173	G144-F175 VanDerWaalsContact C-CB 3.4Å; G145-F175 WeakPolarHBondContact CA-O 3.46Å; G145-F175 PolarHBondContact N-O 3.25Å; D173-F175 PolarHBondContact O-N 3.14Å
176	M	87.2	Confident	87.7	Confident	19 Å²	19	58.1 Å²	58.1	9%	0.094	30%	0.3	C	S	.	.			trans	-75.8	140.7	173	-63.2	-170	178	0	0	111.3	S148 F149 I152 D173 V174 R181 A184	S148-M176 VanDerWaalsContact CB-CE 3.41Å; F149-M176 VanDerWaalsContact CA-CE 3.45Å; F149-M176 HydrophobicContact CB-CE 3.97Å; F149-M176 HydrophobicContact CD2-CE 4.48Å; I152-M176 HydrophobicContact CD1-CE 3.42Å; I152-M176 VanDerWaalsContact CD1-CE 3.42Å; I152-M176 HydrophobicContact CD1-SD 4.41Å; I152-M176 HydrophobicContact CG1-CE 4.33Å; D173-M176 HydrophobicContact CB-SD 4.3Å; D173-M176 WeakPolarHBondContact O-CB 3.43Å; D173-M176 PolarHBondContact O-N 3.05Å; D173-M176 VanDerWaalsContact O-N 3.08Å; V174-M176 PolarHBondContact O-N 3.43Å; M176-R181 HydrophobicContact CB-CB 3.99Å; M176-R181 HydrophobicContact SD-CB 4.48Å; M176-A184 HydrophobicContact CE-CB 4.22Å; M176-A184 HydrophobicContact SD-CB 3.91Å
177	D	88.3	Confident	87.9	Confident	85 Å²	85	54.4 Å²	54.4	46%	0.455	29%	0.285	S	S	.	.			trans	-73.3	171.9	162.8	65.1	20.9	0	0	0	110.6	V179 N180 R181	D177-V179 VanDerWaalsContact C-N 3.27Å; D177-V179 PolarHBondContact O-N 2.65Å; D177-V179 PolarHBondContact OD1-N 3.18Å; D177-N180 VanDerWaalsContact CG-ND2 3.31Å; D177-N180 VanDerWaalsContact OD1-CB 3.24Å; D177-N180 WeakPolarHBondContact OD1-CB 3.36Å; D177-N180 PolarHBondContact OD1-N 3.44Å; D177-N180 PolarHBondContact OD1-ND2 3.02Å; D177-N180 PolarHBondContact OD2-ND2 2.68Å; D177-R181 WeakPolarHBondContact O-CB 3.39Å; D177-R181 PolarHBondContact O-N 2.96Å
178	M	84.7	Confident	88	Confident	127 Å²	127	54.2 Å²	54.2	63%	0.626	28%	0.284	S	S	*	.	H	α-helix	trans	-61.8	-32.4	-177	-72.6	-175.1	59	0	0	113.8	D182	M178-D182 WeakPolarHBondContact O-CB 3.25Å; M178-D182 PolarHBondContact O-N 3.28Å
179	V	87.7	Confident	88	Confident	105 Å²	105	51.8 Å²	51.8	64%	0.636	27%	0.267	S	S	*	.	H	α-helix	trans	-75.2	-48.4	-175.9	178.5	0	0	0	0	110.8	D177 R181 D182 T183	D177-V179 VanDerWaalsContact C-N 3.27Å; D177-V179 PolarHBondContact O-N 2.65Å; D177-V179 PolarHBondContact OD1-N 3.18Å; V179-R181 VanDerWaalsContact C-N 3.3Å; V179-R181 PolarHBondContact O-N 3Å; V179-D182 PolarHBondContact O-N 2.96Å; V179-T183 PolarHBondContact O-N 3.01Å; V179-T183 VanDerWaalsContact O-N 3.08Å; V179-T183 PolarHBondContact O-OG1 3.18Å
180	N	88.7	Confident	88	Confident	57 Å²	57	55.9 Å²	55.9	31%	0.305	29%	0.289	S	S	.	.	H	α-helix	trans	-66.8	-36.8	177.2	-69.5	-53.6	0	0	0	111	F149 D177 T183 A184	F149-N180 HydrophobicContact CD2-CB 4.5Å; D177-N180 VanDerWaalsContact CG-ND2 3.31Å; D177-N180 VanDerWaalsContact OD1-CB 3.24Å; D177-N180 WeakPolarHBondContact OD1-CB 3.36Å; D177-N180 PolarHBondContact OD1-N 3.44Å; D177-N180 PolarHBondContact OD1-ND2 3.02Å; D177-N180 PolarHBondContact OD2-ND2 2.68Å; N180-T183 PolarHBondContact O-N 2.87Å; N180-A184 VanDerWaalsContact O-CB 3.25Å; N180-A184 WeakPolarHBondContact O-CB 3.24Å; N180-A184 PolarHBondContact O-N 2.88Å
181	R	89.3	Confident	88.2	Confident	30 Å²	30	54.1 Å²	54.1	11%	0.113	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-48.8	175.1	-178.9	178.6	-172.5	-123.9	-10.8	112.1	D173 M176 D177 V179 T183 A184 I185 S206 L208 Q209	D173-R181 HydrophobicContact CB-CG 4.07Å; D173-R181 IonicContact OD2-CZ 3.48Å; D173-R181 VanDerWaalsContact OD2-CZ 3.25Å; D173-R181 IonicContact OD2-NE 3.4Å; D173-R181 PolarHBondContact OD2-NE 3.02Å; D173-R181 IonicContact OD2-NH2 3.45Å; D173-R181 PolarHBondContact OD2-NH2 3.5Å; M176-R181 HydrophobicContact CB-CB 3.99Å; M176-R181 HydrophobicContact SD-CB 4.48Å; D177-R181 WeakPolarHBondContact O-CB 3.39Å; D177-R181 PolarHBondContact O-N 2.96Å; V179-R181 VanDerWaalsContact C-N 3.3Å; V179-R181 PolarHBondContact O-N 3Å; R181-T183 VanDerWaalsContact C-N 3.33Å; R181-T183 PolarHBondContact O-N 2.9Å; R181-A184 PolarHBondContact O-N 3.42Å; R181-I185 HydrophobicContact CG-CD1 3.77Å; R181-I185 WeakPolarHBondContact O-CB 3.26Å; R181-I185 VanDerWaalsContact O-CG1 3.28Å; R181-I185 WeakPolarHBondContact O-CG1 3.38Å; R181-I185 PolarHBondContact O-N 3.09Å; R181-S206 PolarHBondContact NH2-OG 2.89Å; R181-S206 VanDerWaalsContact NH2-OG 3.13Å; R181-L208 VanDerWaalsContact NH1-CB 3.35Å; R181-L208 PolarHBondContact NH2-O 3.03Å; R181-Q209 PolarHBondContact NH1-O 3.02Å; R181-Q209 PolarHBondContact NH2-O 2.75Å
182	D	88.2	Confident	88.4	Confident	80 Å²	80	50.4 Å²	50.4	43%	0.428	26%	0.263	S	S	.	.	H	α-helix	trans	-61.3	-45.1	178.9	-168.4	52.2	0	0	0	111.1	M178 V179 A184 I185 N186	M178-D182 WeakPolarHBondContact O-CB 3.25Å; M178-D182 PolarHBondContact O-N 3.28Å; V179-D182 PolarHBondContact O-N 2.96Å; D182-A184 PolarHBondContact O-N 3.49Å; D182-I185 PolarHBondContact O-N 3.48Å; D182-N186 WeakPolarHBondContact O-CB 3.19Å; D182-N186 VanDerWaalsContact O-CG 3.25Å; D182-N186 PolarHBondContact O-N 2.82Å; D182-N186 PolarHBondContact O-ND2 3.25Å; D182-N186 VanDerWaalsContact O-ND2 3.12Å; D182-N186 PolarHBondContact OD2-ND2 2.87Å
183	T	90.6	Very high	88.4	Confident	60 Å²	60	52.1 Å²	52.1	37%	0.368	29%	0.285	S	S	.	.	H	α-helix	trans	-59.5	-45.4	175	-53.4	0	0	0	0	111.8	F149 V179 N180 R181 N186 M187	F149-T183 HydrophobicContact CE2-CG2 4.08Å; F149-T183 HydrophobicContact CZ-CG2 4.21Å; V179-T183 PolarHBondContact O-N 3.01Å; V179-T183 VanDerWaalsContact O-N 3.08Å; V179-T183 PolarHBondContact O-OG1 3.18Å; N180-T183 PolarHBondContact O-N 2.87Å; R181-T183 VanDerWaalsContact C-N 3.33Å; R181-T183 PolarHBondContact O-N 2.9Å; T183-N186 PolarHBondContact O-N 3.13Å; T183-M187 HydrophobicContact CG2-CE 4.46Å; T183-M187 WeakPolarHBondContact O-CG 3.03Å; T183-M187 PolarHBondContact O-N 3.26Å
184	A	91.1	Very high	88.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.6	-43	178.4	0	0	0	0	0	113	F149 I152 M176 N180 R181 D182 M187 L188	F149-A184 HydrophobicContact CD2-CB 4.13Å; F149-A184 HydrophobicContact CE2-CB 4.27Å; I152-A184 HydrophobicContact CD1-CB 3.72Å; M176-A184 HydrophobicContact CE-CB 4.22Å; M176-A184 HydrophobicContact SD-CB 3.91Å; N180-A184 VanDerWaalsContact O-CB 3.25Å; N180-A184 WeakPolarHBondContact O-CB 3.24Å; N180-A184 PolarHBondContact O-N 2.88Å; R181-A184 PolarHBondContact O-N 3.42Å; D182-A184 PolarHBondContact O-N 3.49Å; A184-M187 HydrophobicContact CB-CE 4.44Å; A184-M187 PolarHBondContact O-N 2.93Å; A184-L188 WeakPolarHBondContact O-CG 3.14Å; A184-L188 PolarHBondContact O-N 2.85Å
185	I	88.6	Confident	88.6	Confident	8 Å²	8	58.5 Å²	58.5	4%	0.041	32%	0.321	C	S	.	.	H	α-helix	trans	-66.2	-45.8	178.1	-69.9	167.9	0	0	0	110.3	F172 R181 D182 M187 L188 I189 I210	F172-I185 HydrophobicContact CE2-CG1 3.93Å; F172-I185 HydrophobicContact CZ-CG1 4.13Å; R181-I185 HydrophobicContact CG-CD1 3.77Å; R181-I185 WeakPolarHBondContact O-CB 3.26Å; R181-I185 VanDerWaalsContact O-CG1 3.28Å; R181-I185 WeakPolarHBondContact O-CG1 3.38Å; R181-I185 PolarHBondContact O-N 3.09Å; D182-I185 PolarHBondContact O-N 3.48Å; I185-M187 VanDerWaalsContact C-N 3.32Å; I185-M187 PolarHBondContact O-N 2.84Å; I185-L188 WeakPolarHBondContact O-CB 3.4Å; I185-L188 PolarHBondContact O-N 3.3Å; I185-L188 VanDerWaalsContact O-N 3.11Å; I185-I189 HydrophobicContact CG2-CD1 3.63Å; I185-I189 HydrophobicContact CG2-CG1 4.29Å; I185-I189 VanDerWaalsContact O-CG1 3.31Å; I185-I189 WeakPolarHBondContact O-CG1 3.39Å; I185-I189 PolarHBondContact O-N 2.72Å; I185-I210 HydrophobicContact CD1-CB 4.44Å; I185-I210 HydrophobicContact CD1-CD1 3.9Å; I185-I210 HydrophobicContact CD1-CG1 3.93Å; I185-I210 HydrophobicContact CD1-CG2 3.91Å; I185-I210 HydrophobicContact CG1-CD1 4.4Å; I185-I210 HydrophobicContact CG2-CG2 3.81Å
186	N	89.2	Confident	88.6	Confident	60 Å²	60	55.3 Å²	55.3	32%	0.321	31%	0.307	S	S	.	.	H	α-helix	trans	-58.5	-44.5	176.5	-69.9	-30.9	0	0	0	111	D182 T183 L188 I189 D190	D182-N186 WeakPolarHBondContact O-CB 3.19Å; D182-N186 VanDerWaalsContact O-CG 3.25Å; D182-N186 PolarHBondContact O-N 2.82Å; D182-N186 PolarHBondContact O-ND2 3.25Å; D182-N186 VanDerWaalsContact O-ND2 3.12Å; D182-N186 PolarHBondContact OD2-ND2 2.87Å; T183-N186 PolarHBondContact O-N 3.13Å; N186-L188 VanDerWaalsContact C-N 3.34Å; N186-L188 PolarHBondContact O-N 2.9Å; N186-I189 PolarHBondContact O-N 2.75Å; N186-D190 VanDerWaalsContact O-CB 3.31Å; N186-D190 WeakPolarHBondContact O-CB 3.5Å; N186-D190 PolarHBondContact O-N 2.98Å
187	M	91.5	Very high	88.5	Confident	53 Å²	53	54.5 Å²	54.5	26%	0.261	30%	0.304	S	S	.	.	H	α-helix	trans	-59.1	-41.3	174.1	-72.5	-171.2	-61.7	0	0	113.3	F149 L156 T183 A184 I185 Y191	F149-M187 HydrophobicContact CD2-CE 4.21Å; F149-M187 HydrophobicContact CE1-CE 4.33Å; F149-M187 HydrophobicContact CE2-CE 3.28Å; F149-M187 HydrophobicContact CZ-CE 3.35Å; F149-M187 HydrophobicContact CZ-SD 4.29Å; L156-M187 HydrophobicContact CD1-CB 4.04Å; T183-M187 HydrophobicContact CG2-CE 4.46Å; T183-M187 WeakPolarHBondContact O-CG 3.03Å; T183-M187 PolarHBondContact O-N 3.26Å; A184-M187 HydrophobicContact CB-CE 4.44Å; A184-M187 PolarHBondContact O-N 2.93Å; I185-M187 VanDerWaalsContact C-N 3.32Å; I185-M187 PolarHBondContact O-N 2.84Å; M187-Y191 VanDerWaalsContact O-CB 3.22Å; M187-Y191 WeakPolarHBondContact O-CB 3.32Å; M187-Y191 PolarHBondContact O-N 3.19Å
188	L	90.5	Very high	88.2	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-66.2	-40.7	178.5	-75.3	168	0	0	0	112	I152 L156 W159 L169 F172 A184 I185 N186 A192 F204	I152-L188 HydrophobicContact CG2-CD2 4.19Å; I152-L188 HydrophobicContact CG2-CG 4.22Å; L156-L188 HydrophobicContact CD2-CD2 4.05Å; W159-L188 HydrophobicContact CH2-CD2 4.39Å; W159-L188 HydrophobicContact CZ3-CD2 3.9Å; L169-L188 HydrophobicContact CD1-CD1 4.13Å; L169-L188 HydrophobicContact CD1-CD2 3.65Å; F172-L188 HydrophobicContact CD2-CD1 3.84Å; F172-L188 HydrophobicContact CE2-CD1 3.61Å; F172-L188 HydrophobicContact CG-CD1 4.49Å; F172-L188 HydrophobicContact CZ-CD1 4.11Å; A184-L188 WeakPolarHBondContact O-CG 3.14Å; A184-L188 PolarHBondContact O-N 2.85Å; I185-L188 WeakPolarHBondContact O-CB 3.4Å; I185-L188 PolarHBondContact O-N 3.3Å; I185-L188 VanDerWaalsContact O-N 3.11Å; N186-L188 VanDerWaalsContact C-N 3.34Å; N186-L188 PolarHBondContact O-N 2.9Å; L188-A192 WeakPolarHBondContact O-CB 3.43Å; L188-A192 PolarHBondContact O-N 3.29Å; L188-F204 HydrophobicContact CB-CE2 3.84Å; L188-F204 HydrophobicContact CB-CZ 4.06Å; L188-F204 HydrophobicContact CD2-CE1 4.43Å; L188-F204 HydrophobicContact CD2-CZ 4.09Å
189	I	87.5	Confident	88.2	Confident	12 Å²	12	54.7 Å²	54.7	6%	0.062	30%	0.302	C	S	.	.	H	α-helix	trans	-72.1	-46.6	-179.5	-66.1	176.6	0	0	0	110.5	I185 N186 Y191 A192 G193 Y212 L221 I223	I185-I189 HydrophobicContact CG2-CD1 3.63Å; I185-I189 HydrophobicContact CG2-CG1 4.29Å; I185-I189 VanDerWaalsContact O-CG1 3.31Å; I185-I189 WeakPolarHBondContact O-CG1 3.39Å; I185-I189 PolarHBondContact O-N 2.72Å; N186-I189 PolarHBondContact O-N 2.75Å; I189-Y191 PolarHBondContact O-N 2.69Å; I189-A192 PolarHBondContact O-N 3.25Å; I189-G193 PolarHBondContact O-N 3.21Å; I189-Y212 HydrophobicContact CB-CE2 4.45Å; I189-Y212 HydrophobicContact CD1-CD2 3.32Å; I189-Y212 HydrophobicContact CD1-CE2 3.2Å; I189-Y212 HydrophobicContact CD1-CG 4.16Å; I189-Y212 HydrophobicContact CG1-CE2 4.35Å; I189-Y212 HydrophobicContact CG2-CE2 3.89Å; I189-Y212 WeakPolarHBondContact CG2-OH 3.22Å; I189-L221 HydrophobicContact CG1-CD2 4.13Å; I189-L221 HydrophobicContact CG2-CD2 4.25Å; I189-I223 HydrophobicContact CD1-CD1 4.23Å
190	D	89.6	Confident	88	Confident	111 Å²	111	50.5 Å²	50.5	59%	0.594	28%	0.275	S	S	*	.	H	α-helix	trans	-56.5	-42.5	174.6	-71.7	-14.1	0	0	0	110.6	N186 G193 Q194	N186-D190 VanDerWaalsContact O-CB 3.31Å; N186-D190 WeakPolarHBondContact O-CB 3.5Å; N186-D190 PolarHBondContact O-N 2.98Å; D190-G193 PolarHBondContact O-N 3.03Å; D190-Q194 WeakPolarHBondContact O-CG 3.5Å; D190-Q194 PolarHBondContact O-N 3.45Å
191	Y	90.8	Very high	87.9	Confident	17 Å²	17	49.9 Å²	49.9	7%	0.067	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-45.9	175.1	-175.3	-83	0	0	0	112	L156 W159 E160 R167 M187 I189 G193 Q194 N197 F202	L156-Y191 HydrophobicContact CD2-CD1 4.1Å; L156-Y191 HydrophobicContact CD2-CD2 3.78Å; L156-Y191 HydrophobicContact CD2-CE2 4.42Å; L156-Y191 HydrophobicContact CD2-CG 3.59Å; W159-Y191 HydrophobicContact CB-CE1 4.35Å; W159-Y191 HydrophobicContact CE3-CD1 4.26Å; W159-Y191 HydrophobicContact CE3-CE1 4.1Å; W159-Y191 PolarHBondContact O-OH 2.82Å; E160-Y191 PolarHBondContact N-OH 2.98Å; R167-Y191 PolarHBondContact NH1-OH 2.99Å; M187-Y191 VanDerWaalsContact O-CB 3.22Å; M187-Y191 WeakPolarHBondContact O-CB 3.32Å; M187-Y191 PolarHBondContact O-N 3.19Å; I189-Y191 PolarHBondContact O-N 2.69Å; Y191-G193 VanDerWaalsContact C-N 3.3Å; Y191-G193 PolarHBondContact O-N 3.11Å; Y191-Q194 PolarHBondContact O-N 3.33Å; Y191-N197 WeakPolarHBondContact CD1-ND2 3.35Å; Y191-N197 WeakPolarHBondContact CE1-ND2 3.48Å; Y191-N197 PolarHBondContact O-ND2 3.12Å; Y191-F202 AromaticContact CD1-CE1 3.94Å; Y191-F202 HydrophobicContact CD1-CE1 3.94Å; Y191-F202 HydrophobicContact CD1-CZ 4.03Å; Y191-F202 HydrophobicContact CE1-CE1 4.06Å; Y191-F202 HydrophobicContact CE1-CZ 4.02Å
192	A	88.1	Confident	87.8	Confident	10 Å²	10	48.6 Å²	48.6	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-33.7	178.6	0	0	0	0	0	112.8	L188 I189 Q194 F202 L221	L188-A192 WeakPolarHBondContact O-CB 3.43Å; L188-A192 PolarHBondContact O-N 3.29Å; I189-A192 PolarHBondContact O-N 3.25Å; A192-Q194 VanDerWaalsContact C-N 3.32Å; A192-Q194 PolarHBondContact O-N 3.08Å; A192-F202 HydrophobicContact CB-CB 4.42Å; A192-F202 HydrophobicContact CB-CD1 4.11Å; A192-F202 HydrophobicContact CB-CD2 3.59Å; A192-F202 HydrophobicContact CB-CE1 4.23Å; A192-F202 HydrophobicContact CB-CE2 3.75Å; A192-F202 HydrophobicContact CB-CG 3.78Å; A192-F202 HydrophobicContact CB-CZ 4.06Å; A192-L221 HydrophobicContact CB-CD1 4.31Å
193	G	86.3	Confident	87.8	Confident	53 Å²	53	46.5 Å²	46.5	55%	0.546	25%	0.254	S	S	.	.	H	α-helix	trans	-75.9	-11.1	179.7	0	0	0	0	0	115.3	I189 D190 Y191	I189-G193 PolarHBondContact O-N 3.21Å; D190-G193 PolarHBondContact O-N 3.03Å; Y191-G193 VanDerWaalsContact C-N 3.3Å; Y191-G193 PolarHBondContact O-N 3.11Å
194	Q	88.7	Confident	87.6	Confident	70 Å²	70	43.8 Å²	43.8	33%	0.327	24%	0.237	S	C	.	.	S	Bend	trans	-62	141	178.9	-71.4	171.4	14.9	0	0	111.4	D190 Y191 A192 K196 N197 L198	D190-Q194 WeakPolarHBondContact O-CG 3.5Å; D190-Q194 PolarHBondContact O-N 3.45Å; Y191-Q194 PolarHBondContact O-N 3.33Å; A192-Q194 VanDerWaalsContact C-N 3.32Å; A192-Q194 PolarHBondContact O-N 3.08Å; Q194-K196 HydrophobicContact CB-CG 4.13Å; Q194-K196 PolarHBondContact O-N 3.36Å; Q194-N197 WeakPolarHBondContact O-CA 3.31Å; Q194-N197 PolarHBondContact O-N 2.93Å; Q194-L198 PolarHBondContact O-N 2.92Å
195	P	86.7	Confident	87.4	Confident	112 Å²	112	45.7 Å²	45.7	73%	0.727	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-53.8	-34.3	-178.2	-28.6	34.7	0	0	0	114.1	N197 L198	P195-N197 PolarHBondContact O-N 3.4Å; P195-L198 HydrophobicContact CB-CD1 4.5Å; P195-L198 PolarHBondContact O-N 3.32Å
196	K	87.3	Confident	87.1	Confident	91 Å²	91	45.4 Å²	45.4	40%	0.396	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-65.1	-18.8	176.7	64.9	174.3	173.5	-179.2	0	114	E160 Q194 H199	E160-K196 IonicContact OE1-NZ 3.56Å; E160-K196 PolarHBondContact OE1-NZ 3.04Å; Q194-K196 HydrophobicContact CB-CG 4.13Å; Q194-K196 PolarHBondContact O-N 3.36Å; K196-H199 PolarHBondContact O-CE1 2.92Å; K196-H199 PolarHBondContact O-ND1 3.49Å
197	N	86.2	Confident	86.4	Confident	3 Å²	3	46 Å²	46	2%	0.016	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-108.1	-3	-174.2	-69.7	-33.6	0	0	0	113.5	Y191 Q194 P195 H199 R200 F202	Y191-N197 WeakPolarHBondContact CD1-ND2 3.35Å; Y191-N197 WeakPolarHBondContact CE1-ND2 3.48Å; Y191-N197 PolarHBondContact O-ND2 3.12Å; Q194-N197 WeakPolarHBondContact O-CA 3.31Å; Q194-N197 PolarHBondContact O-N 2.93Å; P195-N197 PolarHBondContact O-N 3.4Å; N197-H199 PolarHBondContact O-N 3.42Å; N197-H199 VanDerWaalsContact O-N 3.08Å; N197-R200 WeakPolarHBondContact O-CB 3.49Å; N197-R200 PolarHBondContact O-N 3.26Å; N197-R200 PolarHBondContact OD1-NE 3.45Å; N197-F202 HydrophobicContact CB-CE2 3.96Å; N197-F202 HydrophobicContact CB-CZ 3.95Å
198	L	81.1	Confident	85.4	Confident	93 Å²	93	47.9 Å²	47.9	49%	0.487	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-19.7	179.2	-67	173.6	0	0	0	114.2	Q194 P195 M220	Q194-L198 PolarHBondContact O-N 2.92Å; P195-L198 HydrophobicContact CB-CD1 4.5Å; P195-L198 PolarHBondContact O-N 3.32Å; L198-M220 WeakPolarHBondContact O-CE 3.44Å
199	H	83.6	Confident	84.4	Confident	123 Å²	123	55.8 Å²	55.8	57%	0.569	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-0.5	175.6	71.8	-87.3	0	0	0	113.4	K196 N197	K196-H199 PolarHBondContact O-CE1 2.92Å; K196-H199 PolarHBondContact O-ND1 3.49Å; N197-H199 PolarHBondContact O-N 3.42Å; N197-H199 VanDerWaalsContact O-N 3.08Å
200	R	84.9	Confident	83.5	Confident	16 Å²	16	57 Å²	57	6%	0.06	31%	0.305	C	S	.	.	S	Bend	trans	-108.9	143.6	-177.8	-52.9	-176.3	-170.8	-77.4	-0.5	109.9	D163 L164 P165 N197 F202 M220	D163-R200 IonicContact OD1-CZ 3.22Å; D163-R200 IonicContact OD1-NH1 2.74Å; D163-R200 IonicContact OD1-NH2 3.29Å; D163-R200 PolarHBondContact OD1-NH2 3.44Å; L164-R200 VanDerWaalsContact N-NH1 3.17Å; L164-R200 PolarHBondContact O-NH1 3.35Å; P165-R200 WeakPolarHBondContact O-CA 3.28Å; N197-R200 WeakPolarHBondContact O-CB 3.49Å; N197-R200 PolarHBondContact O-N 3.26Å; N197-R200 PolarHBondContact OD1-NE 3.45Å; R200-F202 HydrophobicContact CB-CE2 3.93Å; R200-F202 HydrophobicContact CB-CZ 4.34Å; R200-M220 WeakPolarHBondContact O-CE 2.96Å
201	Q	85.2	Confident	82.3	Confident	45 Å²	45	61.1 Å²	61.1	21%	0.21	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.1	174.8	-177.1	171.5	61.8	0	0	110.7	P165 F166 R167 I203 M220	P165-Q201 PolarHBondContact O-N 2.85Å; F166-Q201 CarbonylContact C-O 3.6Å; F166-Q201 WeakPolarHBondContact CA-O 3.4Å; F166-Q201 HydrophobicContact CD1-CB 3.69Å; F166-Q201 HydrophobicContact CD1-CG 4.25Å; F166-Q201 VanDerWaalsContact CD1-OE1 3.23Å; F166-Q201 HydrophobicContact CE1-CB 4.01Å; R167-Q201 PolarHBondContact N-O 3.39Å; Q201-I203 HydrophobicContact CG-CD1 4.43Å; Q201-I203 HydrophobicContact CG-CG1 4.13Å; Q201-M220 CarbonylContact C-O 3.49Å; Q201-M220 WeakPolarHBondContact CA-O 3.44Å; Q201-M220 HydrophobicContact CB-CE 4.45Å
202	F	87.6	Confident	80.9	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.009	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128	178	-65.7	-93.7	0	0	0	109.9	W159 R167 Y191 A192 N197 R200 F204 M220 L221 K222	W159-F202 HydrophobicContact CE3-CE1 4.31Å; W159-F202 HydrophobicContact CZ3-CD1 4.31Å; W159-F202 HydrophobicContact CZ3-CE1 4.12Å; R167-F202 HydrophobicContact CB-CD1 3.88Å; R167-F202 HydrophobicContact CB-CE1 4.12Å; R167-F202 VanDerWaalsContact CD-CE1 3.48Å; R167-F202 HydrophobicContact CG-CE1 4.39Å; R167-F202 CarbonylContact O-C 3.51Å; R167-F202 WeakPolarHBondContact O-CA 3.49Å; Y191-F202 AromaticContact CD1-CE1 3.94Å; Y191-F202 HydrophobicContact CD1-CE1 3.94Å; Y191-F202 HydrophobicContact CD1-CZ 4.03Å; Y191-F202 HydrophobicContact CE1-CE1 4.06Å; Y191-F202 HydrophobicContact CE1-CZ 4.02Å; A192-F202 HydrophobicContact CB-CB 4.42Å; A192-F202 HydrophobicContact CB-CD1 4.11Å; A192-F202 HydrophobicContact CB-CD2 3.59Å; A192-F202 HydrophobicContact CB-CE1 4.23Å; A192-F202 HydrophobicContact CB-CE2 3.75Å; A192-F202 HydrophobicContact CB-CG 3.78Å; A192-F202 HydrophobicContact CB-CZ 4.06Å; N197-F202 HydrophobicContact CB-CE2 3.96Å; N197-F202 HydrophobicContact CB-CZ 3.95Å; R200-F202 HydrophobicContact CB-CE2 3.93Å; R200-F202 HydrophobicContact CB-CZ 4.34Å; F202-F204 HydrophobicContact CB-CE1 4.2Å; F202-F204 HydrophobicContact CB-CE2 4.36Å; F202-F204 HydrophobicContact CB-CZ 3.9Å; F202-F204 HydrophobicContact CD1-CE1 4.13Å; F202-F204 AromaticContact CD1-CZ 3.77Å; F202-F204 HydrophobicContact CD1-CZ 3.77Å; F202-F204 HydrophobicContact CG-CZ 4.23Å; F202-M220 PolarHBondContact N-O 2.81Å; F202-L221 HydrophobicContact CB-CD1 3.56Å; F202-K222 PolarHBondContact O-N 3.43Å
203	I	88	Confident	79.2	Confident	37 Å²	37	70.8 Å²	70.8	19%	0.19	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	110.5	-179.1	-56.2	178.5	0	0	0	108.4	R167 C168 L169 Q201 F205 K222 F224	R167-I203 PolarHBondContact O-N 2.99Å; C168-I203 CarbonylContact C-O 3.56Å; C168-I203 WeakPolarHBondContact CA-O 3.14Å; C168-I203 HydrophobicContact CB-CB 4.35Å; L169-I203 PolarHBondContact N-O 3.02Å; Q201-I203 HydrophobicContact CG-CD1 4.43Å; Q201-I203 HydrophobicContact CG-CG1 4.13Å; I203-F205 HydrophobicContact CG2-CD2 4.21Å; I203-F205 HydrophobicContact CG2-CE1 4.35Å; I203-F205 HydrophobicContact CG2-CE2 3.42Å; I203-F205 VanDerWaalsContact CG2-CE2 3.42Å; I203-F205 HydrophobicContact CG2-CZ 3.5Å; I203-K222 VanDerWaalsContact CA-O 3.31Å; I203-K222 WeakPolarHBondContact CA-O 3.33Å; I203-F224 HydrophobicContact CG2-CD2 3.81Å; I203-F224 HydrophobicContact CG2-CE2 3.83Å
204	F	88.3	Confident	77.7	Confident	3 Å²	3	69.7 Å²	69.7	1%	0.013	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.7	-179.4	-54.7	-35.7	0	0	0	110.6	W159 L169 F172 L188 F202 L221 K222 I223 F224	W159-F204 AromaticContact CH2-CE1 3.95Å; W159-F204 HydrophobicContact CH2-CE1 3.95Å; W159-F204 HydrophobicContact CZ3-CE1 4.38Å; L169-F204 HydrophobicContact CB-CD1 3.85Å; L169-F204 HydrophobicContact CB-CE1 4.42Å; L169-F204 HydrophobicContact CD1-CD1 4.06Å; L169-F204 HydrophobicContact CD1-CE1 3.92Å; L169-F204 HydrophobicContact CG-CD1 4.16Å; L169-F204 HydrophobicContact CG-CE1 4.23Å; L169-F204 CarbonylContact O-C 3.44Å; L169-F204 WeakPolarHBondContact O-CA 3.46Å; F172-F204 HydrophobicContact CE1-CB 3.95Å; L188-F204 HydrophobicContact CB-CE2 3.84Å; L188-F204 HydrophobicContact CB-CZ 4.06Å; L188-F204 HydrophobicContact CD2-CE1 4.43Å; L188-F204 HydrophobicContact CD2-CZ 4.09Å; F202-F204 HydrophobicContact CB-CE1 4.2Å; F202-F204 HydrophobicContact CB-CE2 4.36Å; F202-F204 HydrophobicContact CB-CZ 3.9Å; F202-F204 HydrophobicContact CD1-CE1 4.13Å; F202-F204 AromaticContact CD1-CZ 3.77Å; F202-F204 HydrophobicContact CD1-CZ 3.77Å; F202-F204 HydrophobicContact CG-CZ 4.23Å; F204-L221 HydrophobicContact CD2-CD1 3.9Å; F204-L221 HydrophobicContact CE2-CD1 3.58Å; F204-L221 HydrophobicContact CZ-CD1 4.33Å; F204-K222 PolarHBondContact N-O 3.41Å; F204-I223 HydrophobicContact CB-CG1 4.48Å; F204-I223 HydrophobicContact CD2-CG1 4.26Å; F204-I223 WeakPolarHBondContact O-CA 3.09Å; F204-F224 PolarHBondContact O-N 3.06Å
205	F	85.6	Confident	75.9	Confident	39 Å²	39	75.9 Å²	75.9	17%	0.171	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128	173.7	-58.4	-82.6	0	0	0	109.1	L169 D170 E171 I203 F224 L232	L169-F205 PolarHBondContact O-N 2.83Å; D170-F205 HydrophobicContact CB-CB 4.36Å; D170-F205 HydrophobicContact CB-CD2 4.48Å; D170-F205 VanDerWaalsContact OD1-CB 3.31Å; D170-F205 WeakPolarHBondContact OD1-CB 3.32Å; E171-F205 PolarHBondContact N-O 3.43Å; I203-F205 HydrophobicContact CG2-CD2 4.21Å; I203-F205 HydrophobicContact CG2-CE1 4.35Å; I203-F205 HydrophobicContact CG2-CE2 3.42Å; I203-F205 VanDerWaalsContact CG2-CE2 3.42Å; I203-F205 HydrophobicContact CG2-CZ 3.5Å; F205-F224 WeakPolarHBondContact CA-O 3.35Å; F205-F224 HydrophobicContact CD1-CB 3.61Å; F205-F224 HydrophobicContact CD1-CD2 4.31Å; F205-F224 HydrophobicContact CD1-CG 4.3Å; F205-F224 HydrophobicContact CE1-CB 3.74Å; F205-F224 AromaticContact CE1-CD2 3.74Å; F205-F224 HydrophobicContact CE1-CD2 3.74Å; F205-F224 AromaticContact CE1-CG 3.92Å; F205-F224 HydrophobicContact CE1-CG 3.92Å; F205-F224 HydrophobicContact CZ-CD2 4.15Å; F205-L232 HydrophobicContact CD2-CD1 3.62Å; F205-L232 HydrophobicContact CE2-CD1 3.55Å; F205-L232 HydrophobicContact CE2-CD2 4.29Å; F205-L232 HydrophobicContact CE2-CG 4.46Å; F205-L232 HydrophobicContact CG-CD1 4.38Å; F205-L232 HydrophobicContact CZ-CD1 4.27Å
206	S	83	Confident	74.3	Confident	2 Å²	2	77.5 Å²	77.5	1%	0.014	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	141	174	165.6	0	0	0	0	109.5	D173 R181 L208 F224 A225 S226	D173-S206 VanDerWaalsContact CG-OG 3.25Å; D173-S206 PolarHBondContact OD1-OG 3.08Å; D173-S206 PolarHBondContact OD2-OG 2.67Å; R181-S206 PolarHBondContact NH2-OG 2.89Å; R181-S206 VanDerWaalsContact NH2-OG 3.13Å; S206-L208 PolarHBondContact O-N 2.89Å; S206-L208 PolarHBondContact OG-N 3.08Å; S206-L208 PolarHBondContact OG-O 2.92Å; S206-F224 PolarHBondContact N-O 3.31Å; S206-A225 WeakPolarHBondContact O-CA 3.38Å; S206-S226 PolarHBondContact O-N 2.77Å
207	P	73.3	Confident	72.8	Confident	73 Å²	73	77.5 Å²	77.5	47%	0.474	39%	0.388	S	S	.	.	S	Bend	trans	-72.4	-13.8	176.6	29.7	-34.4	0	0	0	113.6	S226	P207-S226 WeakPolarHBondContact CA-O 3.31Å
208	L	71.7	Confident	71.3	Confident	92 Å²	92	80.7 Å²	80.7	48%	0.482	41%	0.407	S	S	.	.	S	Bend	trans	-107.5	143.6	-174.5	-67.7	173.4	0	0	0	110.3	R181 S206 I210	R181-L208 VanDerWaalsContact NH1-CB 3.35Å; R181-L208 PolarHBondContact NH2-O 3.03Å; S206-L208 PolarHBondContact O-N 2.89Å; S206-L208 PolarHBondContact OG-N 3.08Å; S206-L208 PolarHBondContact OG-O 2.92Å; L208-I210 PolarHBondContact O-N 2.91Å
209	Q	68	Low	70.2	Confident	167 Å²	167	83.3 Å²	83.3	78%	0.78	42%	0.422	S	S	*	.			trans	-58.8	130.7	173.6	-74.5	-179.3	-18.3	0	0	110.7	R181	R181-Q209 PolarHBondContact NH1-O 3.02Å; R181-Q209 PolarHBondContact NH2-O 2.75Å
210	I	69.1	Low	69.2	Low	38 Å²	38	80.3 Å²	80.3	20%	0.195	41%	0.409	C	S	.	.			trans	-90.5	119.4	173.7	-59.2	-170.7	0	0	0	107.2	F172 I185 L208 Y212 I223	F172-I210 HydrophobicContact CZ-CD1 4.41Å; I185-I210 HydrophobicContact CD1-CB 4.44Å; I185-I210 HydrophobicContact CD1-CD1 3.9Å; I185-I210 HydrophobicContact CD1-CG1 3.93Å; I185-I210 HydrophobicContact CD1-CG2 3.91Å; I185-I210 HydrophobicContact CG1-CD1 4.4Å; I185-I210 HydrophobicContact CG2-CG2 3.81Å; L208-I210 PolarHBondContact O-N 2.91Å; I210-Y212 PolarHBondContact O-N 3.46Å; I210-I223 HydrophobicContact CB-CG2 4.5Å; I210-I223 HydrophobicContact CD1-CD1 4.38Å; I210-I223 HydrophobicContact CD1-CG2 3.38Å; I210-I223 HydrophobicContact CG1-CG2 4.17Å
211	R	64.3	Low	68.7	Low	197 Å²	197	80 Å²	80	74%	0.743	41%	0.408	S	S	*	.			trans	-81.8	76.8	175.2	-59.9	-177.1	-154.7	-151	3.4	108.1
212	Y	62.9	Low	68.2	Low	82 Å²	82	82.6 Å²	82.6	32%	0.322	42%	0.419	S	S	.	.			trans	-91.7	123.5	175	-163.8	-113.9	0	0	0	109.7	I189 I210 G214	I189-Y212 HydrophobicContact CB-CE2 4.45Å; I189-Y212 HydrophobicContact CD1-CD2 3.32Å; I189-Y212 HydrophobicContact CD1-CE2 3.2Å; I189-Y212 HydrophobicContact CD1-CG 4.16Å; I189-Y212 HydrophobicContact CG1-CE2 4.35Å; I189-Y212 HydrophobicContact CG2-CE2 3.89Å; I189-Y212 WeakPolarHBondContact CG2-OH 3.22Å; I210-Y212 PolarHBondContact O-N 3.46Å; Y212-G214 WeakPolarHBondContact CD1-O 3.13Å; Y212-G214 VanDerWaalsContact CE1-CA 3.48Å; Y212-G214 WeakPolarHBondContact CE1-O 3.5Å
213	T	51.6	Low	67.5	Low	148 Å²	148	84.9 Å²	84.9	91%	0.908	43%	0.43	S	S	*	.			trans	-103.3	10.2	-179.6	45.2	0	0	0	0	113.2
214	G	54.6	Low	66.8	Low	31 Å²	31	87.6 Å²	87.6	32%	0.32	44%	0.441	S	S	.	.			trans	-102.5	134.8	177.1	0	0	0	0	0	112.8	Y212 E216	Y212-G214 WeakPolarHBondContact CD1-O 3.13Å; Y212-G214 VanDerWaalsContact CE1-CA 3.48Å; Y212-G214 WeakPolarHBondContact CE1-O 3.5Å; G214-E216 PolarHBondContact O-N 3.48Å; G214-E216 VanDerWaalsContact O-N 3.15Å
215	E	51.3	Low	65.6	Low	200 Å²	200	90.8 Å²	90.8	94%	0.935	47%	0.468	S	S	*	.	S	Bend	trans	-75.7	14.7	177	-80.9	179.2	144.7	0	0	114.3
216	E	53.5	Low	64.3	Low	146 Å²	146	90 Å²	90	68%	0.682	47%	0.467	S	S	*	.			trans	-110	47.8	-173.5	-62.9	-159.1	171.5	0	0	114.3	G214 T218	G214-E216 PolarHBondContact O-N 3.48Å; G214-E216 VanDerWaalsContact O-N 3.15Å; E216-T218 PolarHBondContact O-N 3.49Å
217	T	54.2	Low	63	Low	91 Å²	91	96.9 Å²	96.9	56%	0.558	51%	0.509	S	S	*	.			trans	-72.9	83.2	153.5	56.9	0	0	0	0	107.9
218	T	56.4	Low	62.1	Low	69 Å²	69	99.2 Å²	99.2	42%	0.423	52%	0.516	S	S	.	.			trans	-59.5	160.5	168.3	63.1	0	0	0	0	109.2	E216 M220 L221	E216-T218 PolarHBondContact O-N 3.49Å; T218-M220 PolarHBondContact O-N 3.24Å; T218-L221 PolarHBondContact O-N 2.86Å
219	N	56.2	Low	61	Low	149 Å²	149	99.5 Å²	99.5	80%	0.797	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-14.5	177.8	-72.9	-29.5	0	0	0	114.3
220	M	63.6	Low	59.7	Low	60 Å²	60	94.5 Å²	94.5	30%	0.296	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-23.8	-176.4	-55	-56.8	-65.6	0	0	114.2	L198 R200 Q201 F202 T218	L198-M220 WeakPolarHBondContact O-CE 3.44Å; R200-M220 WeakPolarHBondContact O-CE 2.96Å; Q201-M220 CarbonylContact C-O 3.49Å; Q201-M220 WeakPolarHBondContact CA-O 3.44Å; Q201-M220 HydrophobicContact CB-CE 4.45Å; F202-M220 PolarHBondContact N-O 2.81Å; T218-M220 PolarHBondContact O-N 3.24Å
221	L	74.5	Confident	58.6	Low	10 Å²	10	98.5 Å²	98.5	5%	0.052	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	114.2	179.7	177.6	65.5	0	0	0	110.3	I189 A192 F202 F204 T218 I223	I189-L221 HydrophobicContact CG1-CD2 4.13Å; I189-L221 HydrophobicContact CG2-CD2 4.25Å; A192-L221 HydrophobicContact CB-CD1 4.31Å; F202-L221 HydrophobicContact CB-CD1 3.56Å; F204-L221 HydrophobicContact CD2-CD1 3.9Å; F204-L221 HydrophobicContact CE2-CD1 3.58Å; F204-L221 HydrophobicContact CZ-CD1 4.33Å; T218-L221 PolarHBondContact O-N 2.86Å; L221-I223 HydrophobicContact CD1-CG1 4.43Å; L221-I223 HydrophobicContact CG-CG1 4.45Å
222	K	75	Confident	57.7	Low	99 Å²	99	92.4 Å²	92.4	43%	0.43	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.6	175.7	-64.1	-172.7	178.8	-176.9	0	110.3	F202 I203 F204 F224	F202-K222 PolarHBondContact O-N 3.43Å; I203-K222 VanDerWaalsContact CA-O 3.31Å; I203-K222 WeakPolarHBondContact CA-O 3.33Å; F204-K222 PolarHBondContact N-O 3.41Å; K222-F224 HydrophobicContact CB-CD2 4.34Å; K222-F224 HydrophobicContact CB-CE2 3.6Å; K222-F224 HydrophobicContact CB-CZ 4.02Å; K222-F224 HydrophobicContact CD-CE2 4.29Å; K222-F224 HydrophobicContact CD-CZ 4.04Å
223	I	72.7	Confident	56.3	Low	49 Å²	49	94.6 Å²	94.6	25%	0.251	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.2	176.2	-60.9	178.8	0	0	0	107.4	I189 F204 I210 L221	I189-I223 HydrophobicContact CD1-CD1 4.23Å; F204-I223 HydrophobicContact CB-CG1 4.48Å; F204-I223 HydrophobicContact CD2-CG1 4.26Å; F204-I223 WeakPolarHBondContact O-CA 3.09Å; I210-I223 HydrophobicContact CB-CG2 4.5Å; I210-I223 HydrophobicContact CD1-CD1 4.38Å; I210-I223 HydrophobicContact CD1-CG2 3.38Å; I210-I223 HydrophobicContact CG1-CG2 4.17Å; L221-I223 HydrophobicContact CD1-CG1 4.43Å; L221-I223 HydrophobicContact CG-CG1 4.45Å
224	F	72.3	Confident	55.5	Low	95 Å²	95	95 Å²	95	42%	0.417	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.1	178.8	-64.9	-80.4	0	0	0	109.5	I203 F204 F205 S206 K222 S226	I203-F224 HydrophobicContact CG2-CD2 3.81Å; I203-F224 HydrophobicContact CG2-CE2 3.83Å; F204-F224 PolarHBondContact O-N 3.06Å; F205-F224 WeakPolarHBondContact CA-O 3.35Å; F205-F224 HydrophobicContact CD1-CB 3.61Å; F205-F224 HydrophobicContact CD1-CD2 4.31Å; F205-F224 HydrophobicContact CD1-CG 4.3Å; F205-F224 HydrophobicContact CE1-CB 3.74Å; F205-F224 AromaticContact CE1-CD2 3.74Å; F205-F224 HydrophobicContact CE1-CD2 3.74Å; F205-F224 AromaticContact CE1-CG 3.92Å; F205-F224 HydrophobicContact CE1-CG 3.92Å; F205-F224 HydrophobicContact CZ-CD2 4.15Å; S206-F224 PolarHBondContact N-O 3.31Å; K222-F224 HydrophobicContact CB-CD2 4.34Å; K222-F224 HydrophobicContact CB-CE2 3.6Å; K222-F224 HydrophobicContact CB-CZ 4.02Å; K222-F224 HydrophobicContact CD-CE2 4.29Å; K222-F224 HydrophobicContact CD-CZ 4.04Å; F224-S226 PolarHBondContact O-N 3.37Å
225	A	63.8	Low	55.6	Low	69 Å²	69	98.2 Å²	98.2	57%	0.57	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	110	166.5	0	0	0	0	0	108	S206	S206-A225 WeakPolarHBondContact O-CA 3.38Å
226	S	59	Low	55.8	Low	24 Å²	24	92.8 Å²	92.8	17%	0.168	52%	0.522	C	S	.	.			trans	-89.6	120.8	179.3	-164.6	0	0	0	0	110.3	S206 P207 F224 I228	S206-S226 PolarHBondContact O-N 2.77Å; P207-S226 WeakPolarHBondContact CA-O 3.31Å; F224-S226 PolarHBondContact O-N 3.37Å; S226-I228 VanDerWaalsContact C-N 3.25Å; S226-I228 PolarHBondContact OG-O 3.4Å
227	V	54.5	Low	55.9	Low	145 Å²	145	89.9 Å²	89.9	88%	0.879	51%	0.513	S	S	*	.	S	Bend	trans	-85.2	-5.4	175.7	-170.6	0	0	0	0	111.3
228	I	54.7	Low	56	Low	122 Å²	122	89.8 Å²	89.8	63%	0.626	51%	0.51	S	S	*	.	S	Bend	trans	-131.9	135	-175.1	-55.1	172.3	0	0	0	107.5	S226 C230	S226-I228 VanDerWaalsContact C-N 3.25Å; S226-I228 PolarHBondContact OG-O 3.4Å; I228-C230 PolarHBondContact O-N 2.83Å
229	P	48.8	Very low	56	Low	99 Å²	99	91.1 Å²	91.1	64%	0.643	52%	0.516	S	S	*	.			trans	-59.3	102.9	170.9	22.9	-30.5	0	0	0	108.1	V231	P229-V231 PolarHBondContact O-N 2.78Å
230	C	41.3	Very low	56	Low	62 Å²	62	87.3 Å²	87.3	42%	0.419	50%	0.497	S	S	.	.			trans	-94.4	94.9	-173.1	-134.1	0	0	0	0	106.3	I228 L232	I228-C230 PolarHBondContact O-N 2.83Å; C230-L232 VanDerWaalsContact C-N 3.32Å; C230-L232 PolarHBondContact O-N 3Å
231	V	45.4	Very low	55.4	Low	122 Å²	122	89.2 Å²	89.2	74%	0.739	51%	0.511	S	S	*	.			trans	-62.4	101.3	167.2	-178.1	0	0	0	0	106.4	P229 T233	P229-V231 PolarHBondContact O-N 2.78Å; V231-T233 VanDerWaalsContact C-N 3.27Å; V231-T233 PolarHBondContact O-N 3.26Å; V231-T233 PolarHBondContact O-OG1 3.5Å; V231-T233 VanDerWaalsContact O-OG1 3.09Å
232	L	44.9	Very low	53.9	Low	68 Å²	68	95.3 Å²	95.3	36%	0.356	55%	0.547	S	S	.	.			trans	-57.3	96.2	174.8	-109.8	98.5	0	0	0	108.2	D170 F205 C230 L234	D170-L232 HydrophobicContact CB-CD1 4.11Å; F205-L232 HydrophobicContact CD2-CD1 3.62Å; F205-L232 HydrophobicContact CE2-CD1 3.55Å; F205-L232 HydrophobicContact CE2-CD2 4.29Å; F205-L232 HydrophobicContact CE2-CG 4.46Å; F205-L232 HydrophobicContact CG-CD1 4.38Å; F205-L232 HydrophobicContact CZ-CD1 4.27Å; C230-L232 VanDerWaalsContact C-N 3.32Å; C230-L232 PolarHBondContact O-N 3Å; L232-L234 HydrophobicContact CD2-CD1 3.89Å; L232-L234 HydrophobicContact CD2-CG 4.05Å; L232-L234 PolarHBondContact O-N 3.04Å
233	T	35.1	Very low	52.2	Low	129 Å²	129	95 Å²	95	79%	0.791	56%	0.556	S	S	*	*			trans	-94.9	83.4	171.5	-44.9	0	0	0	0	105.6	V231	V231-T233 VanDerWaalsContact C-N 3.27Å; V231-T233 PolarHBondContact O-N 3.26Å; V231-T233 PolarHBondContact O-OG1 3.5Å; V231-T233 VanDerWaalsContact O-OG1 3.09Å
234	L	33.9	Very low	50.3	Low	156 Å²	156	99.2 Å²	99.2	82%	0.817	58%	0.584	S	S	*	*			trans	-80.1	0	168.4	-73.8	170.7	0	0	0	110.9	K118 L232	K118-L234 PolarHBondContact NZ-OXT 3.15Å; L232-L234 HydrophobicContact CD2-CD1 3.89Å; L232-L234 HydrophobicContact CD2-CG 4.05Å; L232-L234 PolarHBondContact O-N 3.04Å

Retrieved 234 of 234 residues in 111.4 ms (Link to these results)

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