A0A077YZ20_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077YZ20, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 604 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	34.9	Very low	44	Very low	241 Å²	241	130.2 Å²	130.2	100%	1.187	73%	0.728	S	S	*	*				0	115.3	0	-78.7	176.3	173.8	0	0	107.9
2	N	32.8	Very low	46.3	Very low	168 Å²	168	126.8 Å²	126.8	90%	0.898	71%	0.713	S	S	*	*			trans	23.2	124.5	156.4	-60.6	-8.2	0	0	0	120.6
3	G	32.8	Very low	48.5	Very low	76 Å²	76	124.8 Å²	124.8	78%	0.784	69%	0.694	S	S	*	*			trans	97	87.9	132.2	0	0	0	0	0	116.5
4	N	35.2	Very low	49.9	Very low	136 Å²	136	125.4 Å²	125.4	73%	0.727	69%	0.685	S	S	*	*				-168.5	111.5	103.4	-144.6	9.7	0	0	0	108.9
5	P	38	Very low	51.6	Low	101 Å²	101	120.9 Å²	120.9	66%	0.656	66%	0.66	S	S	*	*			trans	-76.9	152.7	155.2	33.5	-25.4	0	0	0	107.8
6	D	36.1	Very low	53	Low	145 Å²	145	118.3 Å²	118.3	78%	0.775	65%	0.645	S	S	*	*			trans	70.6	72.1	174.2	-56.4	-29.7	0	0	0	117.7
7	V	45.6	Very low	54.3	Low	109 Å²	109	114.1 Å²	114.1	66%	0.661	63%	0.629	S	S	*	*			trans	-127.3	98	131.2	-176.7	0	0	0	0	106.1	C9	V7-C9 PolarHBondContact O-N 3.02Å
8	Q	43.5	Very low	55.5	Low	187 Å²	187	111.5 Å²	111.5	87%	0.874	61%	0.611	S	S	*	*			trans	-65.3	88.3	162.9	-83.1	-172.3	-15.9	0	0	106.9	S10	Q8-S10 PolarHBondContact O-N 3.25Å; Q8-S10 VanDerWaalsContact O-N 3.13Å
9	C	54.8	Low	56.5	Low	56 Å²	56	113.8 Å²	113.8	38%	0.378	61%	0.61	S	S	.	*			trans	-52.9	124.6	167	-94.5	0	0	0	0	107.7	V7 E13 K14	V7-C9 PolarHBondContact O-N 3.02Å; C9-E13 VanDerWaalsContact CA-OE2 3.29Å; C9-E13 WeakPolarHBondContact CA-OE2 3.48Å; C9-E13 HydrophobicContact CB-CB 4.33Å; C9-K14 HydrophobicContact CB-CD 4.48Å; C9-K14 HydrophobicContact CB-CG 3.86Å; C9-K14 WeakPolarHBondContact O-CE 3.46Å
10	S	68.3	Low	57.5	Low	50 Å²	50	109.9 Å²	109.9	35%	0.35	60%	0.597	S	S	.	*			trans	-55.5	152.2	175.2	66.7	0	0	0	0	109.1	Q8 V12 E13 K14	Q8-S10 PolarHBondContact O-N 3.25Å; Q8-S10 VanDerWaalsContact O-N 3.13Å; S10-V12 PolarHBondContact O-N 3.32Å; S10-V12 VanDerWaalsContact O-N 3.11Å; S10-E13 PolarHBondContact N-OE2 3.41Å; S10-E13 PolarHBondContact O-N 3.49Å; S10-E13 VanDerWaalsContact O-N 3.09Å; S10-E13 VanDerWaalsContact OG-CG 3.29Å; S10-E13 WeakPolarHBondContact OG-CG 3.44Å; S10-E13 PolarHBondContact OG-N 3.22Å; S10-E13 VanDerWaalsContact OG-N 3.08Å; S10-E13 PolarHBondContact OG-OE2 3.21Å; S10-K14 PolarHBondContact O-N 3.5Å
11	F	62.3	Low	58.4	Low	163 Å²	163	112.4 Å²	112.4	72%	0.715	60%	0.598	S	S	*	*	H	α-helix	trans	-52.8	-34.1	173.8	178.9	-102.3	0	0	0	111.3	K14 I15	F11-K14 PolarHBondContact O-N 2.95Å; F11-I15 HydrophobicContact CD1-CD1 4.45Å; F11-I15 HydrophobicContact CD1-CG1 4.16Å; F11-I15 HydrophobicContact CE1-CD1 3.61Å; F11-I15 HydrophobicContact CE1-CG1 3.8Å; F11-I15 HydrophobicContact CE2-CD1 4.35Å; F11-I15 HydrophobicContact CE2-CG1 4.28Å; F11-I15 HydrophobicContact CZ-CD1 3.56Å; F11-I15 HydrophobicContact CZ-CG1 3.87Å; F11-I15 WeakPolarHBondContact O-CB 3.42Å; F11-I15 VanDerWaalsContact O-CG1 3.26Å; F11-I15 WeakPolarHBondContact O-CG1 3.26Å; F11-I15 PolarHBondContact O-N 3.24Å
12	V	71.5	Confident	60.6	Low	90 Å²	90	105.2 Å²	105.2	55%	0.545	56%	0.558	S	S	.	*	H	α-helix	trans	-64.1	-49.6	176.5	-176.9	0	0	0	0	111.7	S10 K14 I15 D16	S10-V12 PolarHBondContact O-N 3.32Å; S10-V12 VanDerWaalsContact O-N 3.11Å; V12-K14 VanDerWaalsContact C-N 3.31Å; V12-K14 PolarHBondContact O-N 3.39Å; V12-I15 PolarHBondContact O-N 3.32Å; V12-I15 VanDerWaalsContact O-N 3.12Å; V12-D16 PolarHBondContact O-N 3.3Å
13	E	74.3	Confident	62.8	Low	100 Å²	100	105.8 Å²	105.8	47%	0.467	55%	0.553	S	S	.	*	H	α-helix	trans	-62.2	-38	177.8	-73.3	164.2	154.7	0	0	112.3	C9 S10 D16 A17	C9-E13 VanDerWaalsContact CA-OE2 3.29Å; C9-E13 WeakPolarHBondContact CA-OE2 3.48Å; C9-E13 HydrophobicContact CB-CB 4.33Å; S10-E13 PolarHBondContact N-OE2 3.41Å; S10-E13 PolarHBondContact O-N 3.49Å; S10-E13 VanDerWaalsContact O-N 3.09Å; S10-E13 VanDerWaalsContact OG-CG 3.29Å; S10-E13 WeakPolarHBondContact OG-CG 3.44Å; S10-E13 PolarHBondContact OG-N 3.22Å; S10-E13 VanDerWaalsContact OG-N 3.08Å; S10-E13 PolarHBondContact OG-OE2 3.21Å; E13-D16 PolarHBondContact O-N 3.1Å; E13-A17 WeakPolarHBondContact O-CB 3.13Å; E13-A17 PolarHBondContact O-N 2.96Å
14	K	68.6	Low	65.2	Low	133 Å²	133	110 Å²	110	58%	0.578	55%	0.552	S	S	*	*	H	α-helix	trans	-64.4	-41	174.1	-67.1	-178	-178.4	177.5	0	111.6	C9 S10 F11 V12 F18	C9-K14 HydrophobicContact CB-CD 4.48Å; C9-K14 HydrophobicContact CB-CG 3.86Å; C9-K14 WeakPolarHBondContact O-CE 3.46Å; S10-K14 PolarHBondContact O-N 3.5Å; F11-K14 PolarHBondContact O-N 2.95Å; V12-K14 VanDerWaalsContact C-N 3.31Å; V12-K14 PolarHBondContact O-N 3.39Å; K14-F18 VanDerWaalsContact O-CB 3.27Å; K14-F18 WeakPolarHBondContact O-CB 3.39Å; K14-F18 PolarHBondContact O-N 3.36Å
15	I	74.5	Confident	67.3	Low	58 Å²	58	106 Å²	106	30%	0.297	53%	0.528	S	S	.	.	H	α-helix	trans	-65.9	-40.1	176	-73.6	-123.9	0	0	0	111.2	F11 V12 F18 R19	F11-I15 HydrophobicContact CD1-CD1 4.45Å; F11-I15 HydrophobicContact CD1-CG1 4.16Å; F11-I15 HydrophobicContact CE1-CD1 3.61Å; F11-I15 HydrophobicContact CE1-CG1 3.8Å; F11-I15 HydrophobicContact CE2-CD1 4.35Å; F11-I15 HydrophobicContact CE2-CG1 4.28Å; F11-I15 HydrophobicContact CZ-CD1 3.56Å; F11-I15 HydrophobicContact CZ-CG1 3.87Å; F11-I15 WeakPolarHBondContact O-CB 3.42Å; F11-I15 VanDerWaalsContact O-CG1 3.26Å; F11-I15 WeakPolarHBondContact O-CG1 3.26Å; F11-I15 PolarHBondContact O-N 3.24Å; V12-I15 PolarHBondContact O-N 3.32Å; V12-I15 VanDerWaalsContact O-N 3.12Å; I15-F18 PolarHBondContact O-N 3Å; I15-R19 HydrophobicContact CG2-CG 4.49Å; I15-R19 WeakPolarHBondContact O-CB 3.25Å; I15-R19 VanDerWaalsContact O-CG 3.32Å; I15-R19 WeakPolarHBondContact O-CG 3.48Å; I15-R19 PolarHBondContact O-N 3.43Å
16	D	75	Confident	69.3	Low	80 Å²	80	104.8 Å²	104.8	43%	0.428	52%	0.516	S	S	.	.	H	α-helix	trans	-73.4	-38.6	-179.3	-74.7	-25.7	0	0	0	112.2	V12 E13 F18 R19 G20	V12-D16 PolarHBondContact O-N 3.3Å; E13-D16 PolarHBondContact O-N 3.1Å; D16-F18 VanDerWaalsContact C-N 3.31Å; D16-F18 PolarHBondContact O-N 2.84Å; D16-R19 PolarHBondContact O-N 3.47Å; D16-R19 IonicContact OD1-NH1 3.88Å; D16-R19 PolarHBondContact OD1-NH1 3.29Å; D16-G20 PolarHBondContact O-N 3.38Å
17	A	75.5	Confident	71	Confident	46 Å²	46	104.1 Å²	104.1	38%	0.38	51%	0.512	S	S	.	.	H	α-helix	trans	-59.8	-43.9	169.6	0	0	0	0	0	111.2	E13 R19 G20 W21	E13-A17 WeakPolarHBondContact O-CB 3.13Å; E13-A17 PolarHBondContact O-N 2.96Å; A17-R19 PolarHBondContact O-N 3.22Å; A17-G20 WeakPolarHBondContact O-CA 3.37Å; A17-G20 PolarHBondContact O-N 3.44Å; A17-G20 VanDerWaalsContact O-N 3.17Å; A17-W21 PolarHBondContact O-N 3.46Å
18	F	75	Confident	72.4	Confident	68 Å²	68	106.2 Å²	106.2	30%	0.298	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-42.4	175.2	176.4	-107.7	0	0	0	112.5	K14 I15 D16 G20 W21 W22 F33	K14-F18 VanDerWaalsContact O-CB 3.27Å; K14-F18 WeakPolarHBondContact O-CB 3.39Å; K14-F18 PolarHBondContact O-N 3.36Å; I15-F18 PolarHBondContact O-N 3Å; D16-F18 VanDerWaalsContact C-N 3.31Å; D16-F18 PolarHBondContact O-N 2.84Å; F18-G20 VanDerWaalsContact C-N 3.26Å; F18-G20 PolarHBondContact O-N 3Å; F18-W21 PolarHBondContact O-N 3.18Å; F18-W22 HydrophobicContact CE1-CE3 4.48Å; F18-W22 HydrophobicContact CE2-CE3 4.09Å; F18-W22 HydrophobicContact CZ-CB 4.49Å; F18-W22 HydrophobicContact CZ-CD2 4.22Å; F18-W22 AromaticContact CZ-CE3 3.59Å; F18-W22 HydrophobicContact CZ-CE3 3.59Å; F18-W22 HydrophobicContact CZ-CZ3 4.22Å; F18-W22 VanDerWaalsContact O-CB 3.32Å; F18-W22 WeakPolarHBondContact O-CB 3.32Å; F18-W22 PolarHBondContact O-N 2.86Å; F18-F33 HydrophobicContact CD2-CE1 4.24Å; F18-F33 HydrophobicContact CD2-CZ 4.02Å; F18-F33 HydrophobicContact CE2-CD1 4.03Å; F18-F33 AromaticContact CE2-CE1 3.11Å; F18-F33 HydrophobicContact CE2-CE1 3.11Å; F18-F33 HydrophobicContact CE2-CE2 4.25Å; F18-F33 AromaticContact CE2-CZ 3.27Å; F18-F33 HydrophobicContact CE2-CZ 3.27Å; F18-F33 HydrophobicContact CZ-CD1 4.15Å; F18-F33 AromaticContact CZ-CE1 3.34Å; F18-F33 HydrophobicContact CZ-CE1 3.34Å; F18-F33 AromaticContact CZ-CZ 3.96Å; F18-F33 HydrophobicContact CZ-CZ 3.96Å
19	R	75.2	Confident	74	Confident	155 Å²	155	101.7 Å²	101.7	59%	0.585	49%	0.494	S	S	*	.	H	α-helix	trans	-62.3	-33.4	174.2	-77.9	171.9	170.6	178.5	-3.7	112.5	I15 D16 A17 K23	I15-R19 HydrophobicContact CG2-CG 4.49Å; I15-R19 WeakPolarHBondContact O-CB 3.25Å; I15-R19 VanDerWaalsContact O-CG 3.32Å; I15-R19 WeakPolarHBondContact O-CG 3.48Å; I15-R19 PolarHBondContact O-N 3.43Å; D16-R19 PolarHBondContact O-N 3.47Å; D16-R19 IonicContact OD1-NH1 3.88Å; D16-R19 PolarHBondContact OD1-NH1 3.29Å; A17-R19 PolarHBondContact O-N 3.22Å; R19-K23 WeakPolarHBondContact O-CG 3.36Å
20	G	77.1	Confident	75	Confident	35 Å²	35	101.6 Å²	101.6	36%	0.361	49%	0.487	S	S	.	.	H	α-helix	trans	-62.1	-57.4	171	0	0	0	0	0	111.3	D16 A17 F18 W22 K23	D16-G20 PolarHBondContact O-N 3.38Å; A17-G20 WeakPolarHBondContact O-CA 3.37Å; A17-G20 PolarHBondContact O-N 3.44Å; A17-G20 VanDerWaalsContact O-N 3.17Å; F18-G20 VanDerWaalsContact C-N 3.26Å; F18-G20 PolarHBondContact O-N 3Å; G20-W22 VanDerWaalsContact C-N 3.32Å; G20-W22 PolarHBondContact O-N 2.67Å; G20-K23 PolarHBondContact O-N 3Å; G20-K23 VanDerWaalsContact O-N 3.16Å
21	W	75.7	Confident	75.1	Confident	163 Å²	163	103.4 Å²	103.4	62%	0.617	49%	0.49	S	S	*	.	H	α-helix	trans	-59.6	-39.9	179.9	-62.6	-17.6	0	0	0	112.8	A17 F18 K23 E24 F25	A17-W21 PolarHBondContact O-N 3.46Å; F18-W21 PolarHBondContact O-N 3.18Å; W21-K23 PolarHBondContact O-N 3.38Å; W21-E24 PolarHBondContact O-N 2.88Å; W21-F25 HydrophobicContact CB-CE1 4.17Å; W21-F25 HydrophobicContact CB-CZ 4.45Å; W21-F25 WeakPolarHBondContact O-CD1 3.25Å; W21-F25 PolarHBondContact O-N 3.33Å
22	W	80.1	Confident	75.6	Confident	91 Å²	91	102.5 Å²	102.5	35%	0.345	49%	0.486	S	S	.	.	H	α-helix	trans	-60.9	-28.8	179.4	-172	-96.1	0	0	0	113.6	F18 G20 E24 F25 K30 F33	F18-W22 HydrophobicContact CE1-CE3 4.48Å; F18-W22 HydrophobicContact CE2-CE3 4.09Å; F18-W22 HydrophobicContact CZ-CB 4.49Å; F18-W22 HydrophobicContact CZ-CD2 4.22Å; F18-W22 AromaticContact CZ-CE3 3.59Å; F18-W22 HydrophobicContact CZ-CE3 3.59Å; F18-W22 HydrophobicContact CZ-CZ3 4.22Å; F18-W22 VanDerWaalsContact O-CB 3.32Å; F18-W22 WeakPolarHBondContact O-CB 3.32Å; F18-W22 PolarHBondContact O-N 2.86Å; G20-W22 VanDerWaalsContact C-N 3.32Å; G20-W22 PolarHBondContact O-N 2.67Å; W22-E24 VanDerWaalsContact C-N 3.34Å; W22-F25 HydrophobicContact CE3-CD2 4.18Å; W22-F25 HydrophobicContact CZ3-CD2 4.46Å; W22-K30 HydrophobicContact CD2-CG 4.37Å; W22-K30 HydrophobicContact CE3-CG 4.41Å; W22-K30 HydrophobicContact CH2-CB 3.78Å; W22-K30 HydrophobicContact CH2-CG 3.95Å; W22-K30 HydrophobicContact CZ2-CB 4.03Å; W22-K30 HydrophobicContact CZ2-CD 4.12Å; W22-K30 HydrophobicContact CZ2-CG 3.88Å; W22-K30 HydrophobicContact CZ3-CB 4.26Å; W22-K30 HydrophobicContact CZ3-CG 4.19Å; W22-K30 WeakPolarHBondContact O-CE 3.29Å; W22-F33 HydrophobicContact CE3-CD1 4.25Å; W22-F33 HydrophobicContact CZ3-CB 4.4Å; W22-F33 AromaticContact CZ3-CD1 3.66Å; W22-F33 HydrophobicContact CZ3-CD1 3.66Å; W22-F33 HydrophobicContact CZ3-CE1 4.36Å; W22-F33 HydrophobicContact CZ3-CG 4.37Å
23	K	80.1	Confident	75.5	Confident	180 Å²	180	101.4 Å²	101.4	78%	0.783	47%	0.474	S	S	*	.	H	α-helix	trans	-74.5	-25	176.3	-73.3	177.4	179.7	-179.8	0	112.8	R19 G20 W21	R19-K23 WeakPolarHBondContact O-CG 3.36Å; G20-K23 PolarHBondContact O-N 3Å; G20-K23 VanDerWaalsContact O-N 3.16Å; W21-K23 PolarHBondContact O-N 3.38Å
24	E	82.6	Confident	75	Confident	163 Å²	163	97.6 Å²	97.6	76%	0.762	46%	0.459	S	S	*	.	H	α-helix	trans	-86.7	-19.5	179.7	-62.9	-170.7	167.7	0	0	112.8	W21 W22	W21-E24 PolarHBondContact O-N 2.88Å; W22-E24 VanDerWaalsContact C-N 3.34Å
25	F	79.2	Confident	74.7	Confident	52 Å²	52	97.8 Å²	97.8	23%	0.228	46%	0.456	C	S	.	.			trans	-67.1	134.6	-178.7	-72.1	7.6	0	0	0	111.9	W21 W22 E29 K30 F33	W21-F25 HydrophobicContact CB-CE1 4.17Å; W21-F25 HydrophobicContact CB-CZ 4.45Å; W21-F25 WeakPolarHBondContact O-CD1 3.25Å; W21-F25 PolarHBondContact O-N 3.33Å; W22-F25 HydrophobicContact CE3-CD2 4.18Å; W22-F25 HydrophobicContact CZ3-CD2 4.46Å; F25-E29 VanDerWaalsContact CA-OE2 3.32Å; F25-E29 WeakPolarHBondContact CA-OE2 3.49Å; F25-E29 HydrophobicContact CB-CB 3.89Å; F25-E29 HydrophobicContact CD2-CB 4.13Å; F25-E29 HydrophobicContact CG-CB 3.98Å; F25-K30 HydrophobicContact CB-CD 4.46Å; F25-K30 HydrophobicContact CB-CG 3.6Å; F25-K30 HydrophobicContact CD2-CG 4.33Å; F25-K30 WeakPolarHBondContact O-CE 3.28Å; F25-K30 PolarHBondContact O-NZ 3.02Å; F25-F33 HydrophobicContact CE2-CB 4.12Å; F25-F33 HydrophobicContact CE2-CD2 4.24Å; F25-F33 HydrophobicContact CE2-CG 4.13Å
26	N	80.2	Confident	74.4	Confident	77 Å²	77	100.9 Å²	100.9	41%	0.412	47%	0.47	S	S	.	.			trans	-70	169.3	163.9	71.3	43.1	0	0	0	110.5	E28 E29 K30	N26-E28 PolarHBondContact O-N 2.99Å; N26-E28 WeakPolarHBondContact OD1-CA 3.41Å; N26-E28 VanDerWaalsContact OD1-CB 3.27Å; N26-E28 WeakPolarHBondContact OD1-CB 3.4Å; N26-E28 PolarHBondContact OD1-N 3.34Å; N26-E29 PolarHBondContact N-OE2 3.49Å; N26-E29 PolarHBondContact ND2-OE2 3.16Å; N26-E29 PolarHBondContact O-N 2.85Å; N26-E29 WeakPolarHBondContact OD1-CG 3.3Å; N26-E29 PolarHBondContact OD1-N 3Å; N26-K30 WeakPolarHBondContact O-CG 3.32Å; N26-K30 PolarHBondContact O-N 3.3Å
27	D	71.4	Confident	73.8	Confident	130 Å²	130	100.3 Å²	100.3	70%	0.695	47%	0.466	S	S	*	.	H	α-helix	trans	-62.7	-32	-175.2	-66.4	-23.4	0	0	0	112.7	K30 E31	D27-K30 IonicContact OD1-NZ 3.43Å; D27-E31 WeakPolarHBondContact O-CB 3.02Å; D27-E31 PolarHBondContact O-N 2.71Å
28	E	75.3	Confident	72.7	Confident	154 Å²	154	100.8 Å²	100.8	72%	0.72	46%	0.461	S	S	*	.	H	α-helix	trans	-69.8	-40.6	178.4	-137	177.3	-165.5	0	0	112	N26 E31 K32	N26-E28 PolarHBondContact O-N 2.99Å; N26-E28 WeakPolarHBondContact OD1-CA 3.41Å; N26-E28 VanDerWaalsContact OD1-CB 3.27Å; N26-E28 WeakPolarHBondContact OD1-CB 3.4Å; N26-E28 PolarHBondContact OD1-N 3.34Å; E28-E31 PolarHBondContact O-N 3.24Å; E28-K32 WeakPolarHBondContact O-CB 3.39Å; E28-K32 PolarHBondContact O-N 3.37Å
29	E	77.6	Confident	72	Confident	92 Å²	92	101.4 Å²	101.4	43%	0.43	48%	0.475	S	S	.	.	H	α-helix	trans	-67.7	-42.6	175.5	-71.9	169.2	153.9	0	0	111.5	F25 N26 E31 K32 F33	F25-E29 VanDerWaalsContact CA-OE2 3.32Å; F25-E29 WeakPolarHBondContact CA-OE2 3.49Å; F25-E29 HydrophobicContact CB-CB 3.89Å; F25-E29 HydrophobicContact CD2-CB 4.13Å; F25-E29 HydrophobicContact CG-CB 3.98Å; N26-E29 PolarHBondContact N-OE2 3.49Å; N26-E29 PolarHBondContact ND2-OE2 3.16Å; N26-E29 PolarHBondContact O-N 2.85Å; N26-E29 WeakPolarHBondContact OD1-CG 3.3Å; N26-E29 PolarHBondContact OD1-N 3Å; E29-E31 VanDerWaalsContact C-N 3.29Å; E29-E31 PolarHBondContact O-N 2.93Å; E29-K32 PolarHBondContact O-N 3.09Å; E29-F33 VanDerWaalsContact O-CB 3.31Å; E29-F33 WeakPolarHBondContact O-CB 3.4Å; E29-F33 PolarHBondContact O-N 2.81Å
30	K	76.3	Confident	71.3	Confident	54 Å²	54	99 Å²	99	24%	0.235	48%	0.48	C	S	.	.	H	α-helix	trans	-58.8	-42.9	173	-72	175.1	-175.8	143.5	0	111.1	W22 F25 N26 D27 A34	W22-K30 HydrophobicContact CD2-CG 4.37Å; W22-K30 HydrophobicContact CE3-CG 4.41Å; W22-K30 HydrophobicContact CH2-CB 3.78Å; W22-K30 HydrophobicContact CH2-CG 3.95Å; W22-K30 HydrophobicContact CZ2-CB 4.03Å; W22-K30 HydrophobicContact CZ2-CD 4.12Å; W22-K30 HydrophobicContact CZ2-CG 3.88Å; W22-K30 HydrophobicContact CZ3-CB 4.26Å; W22-K30 HydrophobicContact CZ3-CG 4.19Å; W22-K30 WeakPolarHBondContact O-CE 3.29Å; F25-K30 HydrophobicContact CB-CD 4.46Å; F25-K30 HydrophobicContact CB-CG 3.6Å; F25-K30 HydrophobicContact CD2-CG 4.33Å; F25-K30 WeakPolarHBondContact O-CE 3.28Å; F25-K30 PolarHBondContact O-NZ 3.02Å; N26-K30 WeakPolarHBondContact O-CG 3.32Å; N26-K30 PolarHBondContact O-N 3.3Å; D27-K30 IonicContact OD1-NZ 3.43Å; K30-A34 VanDerWaalsContact O-CB 3.28Å; K30-A34 WeakPolarHBondContact O-CB 3.16Å; K30-A34 PolarHBondContact O-N 3.5Å
31	E	69	Low	70.1	Confident	87 Å²	87	98.7 Å²	98.7	41%	0.407	47%	0.472	S	S	.	.	H	α-helix	trans	-67	-45.7	179.9	-159.9	-166.5	135.2	0	0	112	D27 E28 E29 F33 A34 R35	D27-E31 WeakPolarHBondContact O-CB 3.02Å; D27-E31 PolarHBondContact O-N 2.71Å; E28-E31 PolarHBondContact O-N 3.24Å; E29-E31 VanDerWaalsContact C-N 3.29Å; E29-E31 PolarHBondContact O-N 2.93Å; E31-F33 VanDerWaalsContact C-N 3.34Å; E31-F33 PolarHBondContact O-N 3.35Å; E31-A34 PolarHBondContact O-N 3.4Å; E31-R35 PolarHBondContact O-N 3.04Å; E31-R35 IonicContact OE1-CZ 2.88Å; E31-R35 IonicContact OE1-NE 3.79Å; E31-R35 PolarHBondContact OE1-NE 2.92Å; E31-R35 IonicContact OE1-NH2 2.76Å; E31-R35 PolarHBondContact OE1-NH2 3.12Å
32	K	73.4	Confident	68.9	Low	144 Å²	144	93.3 Å²	93.3	63%	0.626	47%	0.467	S	S	*	.	H	α-helix	trans	-62	-42.7	177.5	-170.4	177.8	-179.3	-178.8	0	111.7	E28 E29 R35 E36	E28-K32 WeakPolarHBondContact O-CB 3.39Å; E28-K32 PolarHBondContact O-N 3.37Å; E29-K32 PolarHBondContact O-N 3.09Å; K32-R35 WeakPolarHBondContact O-CB 2.95Å; K32-R35 PolarHBondContact O-N 2.83Å; K32-E36 PolarHBondContact O-N 3.25Å; K32-E36 VanDerWaalsContact O-N 3.08Å
33	F	69.2	Low	67.5	Low	68 Å²	68	93.9 Å²	93.9	30%	0.298	49%	0.485	S	S	.	.	H	α-helix	trans	-67.1	-41.6	177.7	-173.3	-92.7	0	0	0	112.2	F18 W22 F25 E29 E31 R35 E36 I37	F18-F33 HydrophobicContact CD2-CE1 4.24Å; F18-F33 HydrophobicContact CD2-CZ 4.02Å; F18-F33 HydrophobicContact CE2-CD1 4.03Å; F18-F33 AromaticContact CE2-CE1 3.11Å; F18-F33 HydrophobicContact CE2-CE1 3.11Å; F18-F33 HydrophobicContact CE2-CE2 4.25Å; F18-F33 AromaticContact CE2-CZ 3.27Å; F18-F33 HydrophobicContact CE2-CZ 3.27Å; F18-F33 HydrophobicContact CZ-CD1 4.15Å; F18-F33 AromaticContact CZ-CE1 3.34Å; F18-F33 HydrophobicContact CZ-CE1 3.34Å; F18-F33 AromaticContact CZ-CZ 3.96Å; F18-F33 HydrophobicContact CZ-CZ 3.96Å; W22-F33 HydrophobicContact CE3-CD1 4.25Å; W22-F33 HydrophobicContact CZ3-CB 4.4Å; W22-F33 AromaticContact CZ3-CD1 3.66Å; W22-F33 HydrophobicContact CZ3-CD1 3.66Å; W22-F33 HydrophobicContact CZ3-CE1 4.36Å; W22-F33 HydrophobicContact CZ3-CG 4.37Å; F25-F33 HydrophobicContact CE2-CB 4.12Å; F25-F33 HydrophobicContact CE2-CD2 4.24Å; F25-F33 HydrophobicContact CE2-CG 4.13Å; E29-F33 VanDerWaalsContact O-CB 3.31Å; E29-F33 WeakPolarHBondContact O-CB 3.4Å; E29-F33 PolarHBondContact O-N 2.81Å; E31-F33 VanDerWaalsContact C-N 3.34Å; E31-F33 PolarHBondContact O-N 3.35Å; F33-R35 VanDerWaalsContact C-N 3.31Å; F33-R35 PolarHBondContact O-N 3.34Å; F33-E36 PolarHBondContact O-N 2.77Å; F33-E36 VanDerWaalsContact O-N 3.17Å; F33-I37 HydrophobicContact CD1-CD1 3.83Å; F33-I37 HydrophobicContact CD1-CG1 4.11Å; F33-I37 HydrophobicContact CE1-CD1 3.1Å; F33-I37 HydrophobicContact CE1-CG1 3.69Å; F33-I37 HydrophobicContact CZ-CD1 3.67Å; F33-I37 HydrophobicContact CZ-CG1 4.04Å; F33-I37 PolarHBondContact O-N 2.73Å
34	A	64	Low	65.9	Low	19 Å²	19	93.7 Å²	93.7	16%	0.157	49%	0.489	C	S	.	.	H	α-helix	trans	-61.6	-39.3	175	0	0	0	0	0	111.7	K30 E31 L38 M53	K30-A34 VanDerWaalsContact O-CB 3.28Å; K30-A34 WeakPolarHBondContact O-CB 3.16Å; K30-A34 PolarHBondContact O-N 3.5Å; E31-A34 PolarHBondContact O-N 3.4Å; A34-L38 WeakPolarHBondContact O-CB 3.07Å; A34-L38 VanDerWaalsContact O-CG 3.23Å; A34-L38 WeakPolarHBondContact O-CG 3.38Å; A34-L38 PolarHBondContact O-N 3.35Å; A34-M53 HydrophobicContact CB-CE 3.73Å
35	R	62.9	Low	64.4	Low	138 Å²	138	90.8 Å²	90.8	52%	0.521	48%	0.479	S	S	.	.	H	α-helix	trans	-59.8	-44	171.9	-79.6	-172.3	-116.5	131.3	-4.1	112.2	E31 K32 F33 L38 S39	E31-R35 PolarHBondContact O-N 3.04Å; E31-R35 IonicContact OE1-CZ 2.88Å; E31-R35 IonicContact OE1-NE 3.79Å; E31-R35 PolarHBondContact OE1-NE 2.92Å; E31-R35 IonicContact OE1-NH2 2.76Å; E31-R35 PolarHBondContact OE1-NH2 3.12Å; K32-R35 WeakPolarHBondContact O-CB 2.95Å; K32-R35 PolarHBondContact O-N 2.83Å; F33-R35 VanDerWaalsContact C-N 3.31Å; F33-R35 PolarHBondContact O-N 3.34Å; R35-L38 PolarHBondContact O-N 3.17Å; R35-S39 WeakPolarHBondContact O-CB 3.45Å; R35-S39 PolarHBondContact O-N 2.86Å
36	E	68.9	Low	62.8	Low	123 Å²	123	89.6 Å²	89.6	58%	0.575	48%	0.478	S	S	*	.	H	α-helix	trans	-68.2	-43	-179.3	-152.1	68.5	-172.3	0	0	111.8	K32 F33 L38 S39 C40	K32-E36 PolarHBondContact O-N 3.25Å; K32-E36 VanDerWaalsContact O-N 3.08Å; F33-E36 PolarHBondContact O-N 2.77Å; F33-E36 VanDerWaalsContact O-N 3.17Å; E36-L38 VanDerWaalsContact C-N 3.35Å; E36-L38 PolarHBondContact O-N 2.77Å; E36-S39 WeakPolarHBondContact O-CB 3.47Å; E36-S39 PolarHBondContact O-N 3.36Å; E36-S39 VanDerWaalsContact O-N 3.13Å; E36-S39 PolarHBondContact O-OG 3.12Å; E36-C40 PolarHBondContact O-N 3.08Å; E36-C40 VanDerWaalsContact O-N 3.07Å; E36-C40 PolarHBondContact O-SG 3.35Å; E36-C40 VanDerWaalsContact O-SG 3.41Å
37	I	61.5	Low	61.3	Low	68 Å²	68	93 Å²	93	35%	0.349	49%	0.489	S	S	.	.	H	α-helix	trans	-59.4	-46.7	173.2	-75.2	-167	0	0	0	110.9	F33 S39 C40 C41	F33-I37 HydrophobicContact CD1-CD1 3.83Å; F33-I37 HydrophobicContact CD1-CG1 4.11Å; F33-I37 HydrophobicContact CE1-CD1 3.1Å; F33-I37 HydrophobicContact CE1-CG1 3.69Å; F33-I37 HydrophobicContact CZ-CD1 3.67Å; F33-I37 HydrophobicContact CZ-CG1 4.04Å; F33-I37 PolarHBondContact O-N 2.73Å; I37-S39 PolarHBondContact O-N 3.47Å; I37-C40 CarbonylContact O-C 3.49Å; I37-C40 PolarHBondContact O-N 3.47Å; I37-C41 WeakPolarHBondContact O-CB 3.37Å; I37-C41 PolarHBondContact O-N 2.75Å; I37-C41 PolarHBondContact O-SG 2.95Å
38	L	51.8	Low	60.3	Low	55 Å²	55	90.7 Å²	90.7	29%	0.288	48%	0.483	S	S	.	.	H	α-helix	trans	-63.2	-30.3	178.2	-74.2	172.6	0	0	0	112	A34 R35 E36 C41 A46 L49 M53	A34-L38 WeakPolarHBondContact O-CB 3.07Å; A34-L38 VanDerWaalsContact O-CG 3.23Å; A34-L38 WeakPolarHBondContact O-CG 3.38Å; A34-L38 PolarHBondContact O-N 3.35Å; R35-L38 PolarHBondContact O-N 3.17Å; E36-L38 VanDerWaalsContact C-N 3.35Å; E36-L38 PolarHBondContact O-N 2.77Å; L38-C41 PolarHBondContact O-N 2.97Å; L38-A46 HydrophobicContact CD2-CB 4.16Å; L38-L49 HydrophobicContact CD2-CB 4.43Å; L38-L49 HydrophobicContact CD2-CD1 4.48Å; L38-M53 HydrophobicContact CD1-CE 3.55Å; L38-M53 HydrophobicContact CD1-SD 3.77Å; L38-M53 HydrophobicContact CG-SD 4.4Å
39	S	60.9	Low	58.8	Low	82 Å²	82	87 Å²	87	57%	0.573	47%	0.468	S	S	*	.	H	α-helix	trans	-69.3	-32.6	173.3	85.1	0	0	0	0	112.8	R35 E36 I37	R35-S39 WeakPolarHBondContact O-CB 3.45Å; R35-S39 PolarHBondContact O-N 2.86Å; E36-S39 WeakPolarHBondContact O-CB 3.47Å; E36-S39 PolarHBondContact O-N 3.36Å; E36-S39 VanDerWaalsContact O-N 3.13Å; E36-S39 PolarHBondContact O-OG 3.12Å; I37-S39 PolarHBondContact O-N 3.47Å
40	C	60.3	Low	57.2	Low	105 Å²	105	83.8 Å²	83.8	71%	0.709	46%	0.457	S	S	*	.	H	α-helix	trans	-81.5	-25.8	175.2	-63.2	0	0	0	0	112.8	E36 I37 G42	E36-C40 PolarHBondContact O-N 3.08Å; E36-C40 VanDerWaalsContact O-N 3.07Å; E36-C40 PolarHBondContact O-SG 3.35Å; E36-C40 VanDerWaalsContact O-SG 3.41Å; I37-C40 CarbonylContact O-C 3.49Å; I37-C40 PolarHBondContact O-N 3.47Å; C40-G42 PolarHBondContact O-N 3.1Å; C40-G42 VanDerWaalsContact O-N 3.16Å
41	C	51.3	Low	55.8	Low	27 Å²	27	86.3 Å²	86.3	18%	0.182	48%	0.479	C	S	.	.	S	Bend	trans	-77.7	99	174.9	-70.6	0	0	0	0	109.4	I37 L38 L45	I37-C41 WeakPolarHBondContact O-CB 3.37Å; I37-C41 PolarHBondContact O-N 2.75Å; I37-C41 PolarHBondContact O-SG 2.95Å; L38-C41 PolarHBondContact O-N 2.97Å; C41-L45 HydrophobicContact CB-CB 3.84Å
42	G	51.3	Low	54.7	Low	50 Å²	50	85.6 Å²	85.6	52%	0.515	50%	0.495	S	S	.	.			trans	-44.6	150.5	169.7	0	0	0	0	0	111.7	C40 M44 L45	C40-G42 PolarHBondContact O-N 3.1Å; C40-G42 VanDerWaalsContact O-N 3.16Å; G42-M44 PolarHBondContact O-N 2.92Å; G42-L45 PolarHBondContact O-N 3.49Å
43	S	50	Low	53.1	Low	104 Å²	104	81.7 Å²	81.7	73%	0.727	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-18.2	-167.1	59.8	0	0	0	0	117.2
44	M	47.7	Very low	51.7	Low	175 Å²	175	84.8 Å²	84.8	86%	0.862	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-39.9	171	-97.2	-175	-146.6	0	0	114.5	G42	G42-M44 PolarHBondContact O-N 2.92Å
45	L	49.5	Very low	50.8	Low	103 Å²	103	89.3 Å²	89.3	54%	0.539	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-31.1	-176.3	-92.6	151.4	0	0	0	112.6	C41 G42 K47 S48 L49	C41-L45 HydrophobicContact CB-CB 3.84Å; G42-L45 PolarHBondContact O-N 3.49Å; L45-K47 PolarHBondContact O-N 3.48Å; L45-S48 PolarHBondContact O-N 3.15Å; L45-S48 VanDerWaalsContact O-N 3.09Å; L45-S48 PolarHBondContact O-OG 3.39Å; L45-L49 PolarHBondContact O-N 3.49Å
46	A	46	Very low	49.6	Very low	27 Å²	27	86.2 Å²	86.2	22%	0.223	53%	0.529	C	S	.	.	H	α-helix	trans	-60.2	-28.3	175.1	0	0	0	0	0	112.6	L38 A50	L38-A46 HydrophobicContact CD2-CB 4.16Å; A46-A50 PolarHBondContact O-N 2.8Å
47	K	48.6	Very low	48.1	Very low	147 Å²	147	84 Å²	84	64%	0.639	52%	0.519	S	S	*	.	H	α-helix	trans	-75.2	-24.1	176.5	-77.6	-177.5	175.5	179.9	0	114.1	L45	L45-K47 PolarHBondContact O-N 3.48Å
48	S	51.4	Low	46.9	Very low	82 Å²	82	92.5 Å²	92.5	57%	0.573	55%	0.547	S	S	*	.	H	α-helix	trans	-85.7	-20.5	177.8	63.4	0	0	0	0	113.2	L45	L45-S48 PolarHBondContact O-N 3.15Å; L45-S48 VanDerWaalsContact O-N 3.09Å; L45-S48 PolarHBondContact O-OG 3.39Å
49	L	44.1	Very low	46.4	Very low	77 Å²	77	94.9 Å²	94.9	40%	0.403	57%	0.569	S	S	.	*	H	α-helix	trans	-88.9	-17.9	177.5	-79.1	155.8	0	0	0	113.9	L38 L45 G52	L38-L49 HydrophobicContact CD2-CB 4.43Å; L38-L49 HydrophobicContact CD2-CD1 4.48Å; L45-L49 PolarHBondContact O-N 3.49Å; L49-G52 PolarHBondContact O-N 3.29Å
50	A	43.9	Very low	45.1	Very low	24 Å²	24	99 Å²	99	20%	0.198	57%	0.573	C	S	.	*	G	3₁₀ helix	trans	-51.4	-35.9	-176	0	0	0	0	0	116.6	A46 G52 M53 M57	A46-A50 PolarHBondContact O-N 2.8Å; A50-G52 PolarHBondContact O-N 3.21Å; A50-M53 PolarHBondContact O-N 3.44Å; A50-M57 HydrophobicContact CB-CE 3.98Å; A50-M57 HydrophobicContact CB-SD 3.76Å
51	P	47	Very low	43.8	Very low	108 Å²	108	98.5 Å²	98.5	70%	0.701	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-72.5	-9.7	-177.2	-16.4	30.9	0	0	0	114.8
52	G	45.7	Very low	43	Very low	72 Å²	72	102.3 Å²	102.3	74%	0.742	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-93.2	-7.2	176.9	0	0	0	0	0	114.8	L49 A50	L49-G52 PolarHBondContact O-N 3.29Å; A50-G52 PolarHBondContact O-N 3.21Å
53	M	40	Very low	42.3	Very low	61 Å²	61	105.2 Å²	105.2	30%	0.3	61%	0.609	S	S	.	*			trans	-119.8	37.2	-166.2	-65.2	-176.6	65.7	0	0	112.9	A34 L38 A50 S55 C56	A34-M53 HydrophobicContact CB-CE 3.73Å; L38-M53 HydrophobicContact CD1-CE 3.55Å; L38-M53 HydrophobicContact CD1-SD 3.77Å; L38-M53 HydrophobicContact CG-SD 4.4Å; A50-M53 PolarHBondContact O-N 3.44Å; M53-S55 PolarHBondContact O-N 3.38Å; M53-C56 PolarHBondContact O-N 3.27Å; M53-C56 VanDerWaalsContact O-N 3.07Å
54	D	39.9	Very low	41.6	Very low	133 Å²	133	106.2 Å²	106.2	71%	0.711	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-1.3	-162	-142.2	14.8	0	0	0	116.3
55	S	44.2	Very low	41	Very low	114 Å²	114	105.9 Å²	105.9	80%	0.797	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-20.7	170.6	74.5	0	0	0	0	113.9	M53	M53-S55 PolarHBondContact O-N 3.38Å
56	C	37.6	Very low	40.4	Very low	73 Å²	73	111.1 Å²	111.1	49%	0.493	62%	0.619	S	S	.	*	S	Bend	trans	-98.1	-11.1	-173.9	-86.6	0	0	0	0	115	M53 R58	M53-C56 PolarHBondContact O-N 3.27Å; M53-C56 VanDerWaalsContact O-N 3.07Å; C56-R58 PolarHBondContact O-N 3.48Å
57	M	37.8	Very low	40.4	Very low	76 Å²	76	115.9 Å²	115.9	37%	0.374	65%	0.651	S	S	.	*	G	3₁₀ helix	trans	-79.1	-0.7	-164.7	-80	-120.5	-79	0	0	116.9	A50 S59 Y60	A50-M57 HydrophobicContact CB-CE 3.98Å; A50-M57 HydrophobicContact CB-SD 3.76Å; M57-S59 PolarHBondContact O-N 3.04Å; M57-Y60 PolarHBondContact O-N 3.44Å
58	R	36.8	Very low	40.7	Very low	247 Å²	247	114 Å²	114	93%	0.932	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-62.8	-13.4	-174	-74.9	-175.3	179.6	179.3	0.6	115.5	C56	C56-R58 PolarHBondContact O-N 3.48Å
59	S	39.9	Very low	41.3	Very low	106 Å²	106	112.2 Å²	112.2	74%	0.741	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-101.4	-5.6	177.5	90.3	0	0	0	0	115.5	M57	M57-S59 PolarHBondContact O-N 3.04Å
60	Y	34.4	Very low	42.1	Very low	169 Å²	169	112.9 Å²	112.9	66%	0.663	65%	0.645	S	S	*	*			trans	-90.9	-0.4	-175.3	-107.9	-90.9	0	0	0	114.7	M57 C62	M57-Y60 PolarHBondContact O-N 3.44Å; Y60-C62 PolarHBondContact O-N 3.34Å
61	A	33	Very low	43.1	Very low	94 Å²	94	116.3 Å²	116.3	78%	0.777	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-5.4	-172.3	0	0	0	0	0	116.3
62	C	34.4	Very low	44	Very low	106 Å²	106	113.9 Å²	113.9	72%	0.716	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-4.3	-174.5	-75.4	0	0	0	0	116.5	Y60	Y60-C62 PolarHBondContact O-N 3.34Å
63	V	36.3	Very low	45	Very low	111 Å²	111	116.9 Å²	116.9	67%	0.673	63%	0.634	S	S	*	*	S	Bend	trans	-113.2	-6.5	-167.5	-173.9	0	0	0	0	115.1	H65	V63-H65 VanDerWaalsContact C-N 3.29Å; V63-H65 PolarHBondContact O-N 2.9Å
64	V	34.9	Very low	46.4	Very low	125 Å²	125	117.2 Å²	117.2	76%	0.758	64%	0.637	S	S	*	*			trans	-94.4	59	172.4	-165.8	0	0	0	0	110.2
65	H	35.2	Very low	47.9	Very low	169 Å²	169	114.3 Å²	114.3	78%	0.782	63%	0.626	S	S	*	*			trans	-73.7	124.7	165.2	-98.4	-73.6	0	0	0	109.5	V63	V63-H65 VanDerWaalsContact C-N 3.29Å; V63-H65 PolarHBondContact O-N 2.9Å
66	R	38	Very low	49	Very low	213 Å²	213	112.7 Å²	112.7	80%	0.804	61%	0.611	S	S	*	*	S	Bend	trans	98.3	84	168.9	-55.5	-172.8	-171.2	-164.9	2.7	117.5	T68	R66-T68 PolarHBondContact O-N 2.94Å; R66-T68 PolarHBondContact O-OG1 2.93Å
67	S	45.4	Very low	50.5	Low	127 Å²	127	116 Å²	116	89%	0.888	62%	0.619	S	S	*	*				53.8	48.1	129.7	69.7	0	0	0	0	119.1
68	T	55.7	Low	52.2	Low	107 Å²	107	113.6 Å²	113.6	66%	0.656	61%	0.611	S	S	*	*			trans	-121.1	128.3	168.7	-32.5	0	0	0	0	109.7	R66	R66-T68 PolarHBondContact O-N 2.94Å; R66-T68 PolarHBondContact O-OG1 2.93Å
69	D	62.2	Low	53.9	Low	44 Å²	44	102.3 Å²	102.3	24%	0.235	57%	0.569	C	S	.	*			trans	-65.8	121.4	-179.1	-171.7	-33	0	0	0	110.4	F71 L72 W101	D69-F71 PolarHBondContact O-N 2.88Å; D69-F71 WeakPolarHBondContact OD1-CB 3.36Å; D69-F71 PolarHBondContact OD1-N 3.19Å; D69-L72 HydrophobicContact CB-CB 4.45Å; D69-L72 HydrophobicContact CB-CD1 3.9Å; D69-L72 HydrophobicContact CB-CG 4.11Å; D69-L72 PolarHBondContact O-N 3.31Å; D69-L72 VanDerWaalsContact O-N 3.15Å; D69-W101 PolarHBondContact OD2-NE1 3.31Å
70	P	60.9	Low	55.5	Low	92 Å²	92	97.7 Å²	97.7	60%	0.597	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-61.8	-25.6	-177.7	25.4	-34.3	0	0	0	113.3	L72 L73	P70-L72 VanDerWaalsContact C-N 3.35Å; P70-L73 WeakPolarHBondContact O-CB 3.48Å; P70-L73 PolarHBondContact O-N 2.84Å
71	F	66.3	Low	57.2	Low	95 Å²	95	95.7 Å²	95.7	42%	0.417	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-71.9	-29.8	178.5	-76.2	-81.1	0	0	0	112.8	D69 L73 L74 I79 I82 W101	D69-F71 PolarHBondContact O-N 2.88Å; D69-F71 WeakPolarHBondContact OD1-CB 3.36Å; D69-F71 PolarHBondContact OD1-N 3.19Å; F71-L73 PolarHBondContact O-N 2.88Å; F71-L74 HydrophobicContact CD1-CD1 4.1Å; F71-L74 WeakPolarHBondContact O-CB 3.2Å; F71-L74 PolarHBondContact O-N 2.79Å; F71-I79 VanDerWaalsContact O-CD1 3.26Å; F71-I79 WeakPolarHBondContact O-CD1 3.34Å; F71-I82 HydrophobicContact CD1-CD1 4.41Å; F71-I82 HydrophobicContact CE1-CD1 4.43Å; F71-W101 HydrophobicContact CB-CH2 4.17Å; F71-W101 HydrophobicContact CB-CZ2 3.54Å; F71-W101 HydrophobicContact CD2-CZ2 4.18Å; F71-W101 HydrophobicContact CG-CH2 4.3Å; F71-W101 AromaticContact CG-CZ2 3.91Å; F71-W101 HydrophobicContact CG-CZ2 3.91Å
72	L	65.7	Low	59.2	Low	57 Å²	57	94.4 Å²	94.4	30%	0.298	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-73.7	-6.8	176.8	-67.2	173.4	0	0	0	112.9	D69 P70 Q100 V104	D69-L72 HydrophobicContact CB-CB 4.45Å; D69-L72 HydrophobicContact CB-CD1 3.9Å; D69-L72 HydrophobicContact CB-CG 4.11Å; D69-L72 PolarHBondContact O-N 3.31Å; D69-L72 VanDerWaalsContact O-N 3.15Å; P70-L72 VanDerWaalsContact C-N 3.35Å; L72-Q100 HydrophobicContact CD1-CB 3.44Å; L72-Q100 VanDerWaalsContact CD1-CB 3.44Å; L72-Q100 HydrophobicContact CD1-CG 3.95Å; L72-Q100 HydrophobicContact CD2-CB 3.91Å; L72-Q100 HydrophobicContact CG-CB 4.36Å; L72-V104 HydrophobicContact CD2-CG2 4.23Å
73	L	67.3	Low	61.1	Low	135 Å²	135	89.5 Å²	89.5	71%	0.707	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-86	-11.7	172.7	-61.3	171.1	0	0	0	112.7	P70 F71	P70-L73 WeakPolarHBondContact O-CB 3.48Å; P70-L73 PolarHBondContact O-N 2.84Å; F71-L73 PolarHBondContact O-N 2.88Å
74	L	67.9	Low	62.7	Low	69 Å²	69	85.9 Å²	85.9	36%	0.361	46%	0.457	S	S	.	.	S	Bend	trans	-77.5	147.9	178.1	-64.7	174.1	0	0	0	111	F71 A78 I79 I82	F71-L74 HydrophobicContact CD1-CD1 4.1Å; F71-L74 WeakPolarHBondContact O-CB 3.2Å; F71-L74 PolarHBondContact O-N 2.79Å; L74-A78 HydrophobicContact CB-CB 4.38Å; L74-I79 HydrophobicContact CB-CD1 4.29Å; L74-I79 HydrophobicContact CB-CG1 3.73Å; L74-I79 WeakPolarHBondContact O-CD1 3.31Å; L74-I82 HydrophobicContact CD1-CD1 3.61Å
75	P	71.8	Confident	64.5	Low	72 Å²	72	87.4 Å²	87.4	47%	0.468	45%	0.453	S	S	.	.			trans	-56	144.7	170.8	-25.5	34.6	0	0	0	111.7	H77 A78 I79	P75-H77 WeakPolarHBondContact CB-CE1 3.4Å; P75-H77 WeakPolarHBondContact CB-ND1 3.48Å; P75-H77 PolarHBondContact O-N 3.47Å; P75-A78 WeakPolarHBondContact O-CB 3.26Å; P75-A78 PolarHBondContact O-N 2.96Å; P75-I79 PolarHBondContact O-N 3.1Å; P75-I79 VanDerWaalsContact O-N 3.14Å
76	T	68.3	Low	66	Low	79 Å²	79	81.8 Å²	81.8	49%	0.485	43%	0.428	S	S	.	.	H	α-helix	trans	-51.8	-38.6	-177.3	-46.5	0	0	0	0	112.8	A78 I79 M80 N108	T76-A78 VanDerWaalsContact C-N 3.33Å; T76-A78 PolarHBondContact O-N 3.36Å; T76-I79 PolarHBondContact O-N 3.19Å; T76-M80 HydrophobicContact CG2-CG 4.29Å; T76-M80 WeakPolarHBondContact O-CB 3.46Å; T76-M80 WeakPolarHBondContact O-CG 3.25Å; T76-M80 PolarHBondContact O-N 3.01Å; T76-N108 WeakPolarHBondContact CG2-ND2 3.32Å
77	H	68.6	Low	67.2	Low	142 Å²	142	74.4 Å²	74.4	66%	0.657	41%	0.405	S	S	*	.	H	α-helix	trans	-63.6	-36.4	178.2	72.3	-93	0	0	0	113.1	P75 K81	P75-H77 WeakPolarHBondContact CB-CE1 3.4Å; P75-H77 WeakPolarHBondContact CB-ND1 3.48Å; P75-H77 PolarHBondContact O-N 3.47Å; H77-K81 WeakPolarHBondContact O-CB 3.38Å; H77-K81 PolarHBondContact O-N 2.69Å
78	A	72.7	Confident	68.1	Low	26 Å²	26	69.8 Å²	69.8	22%	0.215	37%	0.372	C	S	.	.	H	α-helix	trans	-71.4	-43.8	178	0	0	0	0	0	110.5	L74 P75 T76 M80 K81 I82	L74-A78 HydrophobicContact CB-CB 4.38Å; P75-A78 WeakPolarHBondContact O-CB 3.26Å; P75-A78 PolarHBondContact O-N 2.96Å; T76-A78 VanDerWaalsContact C-N 3.33Å; T76-A78 PolarHBondContact O-N 3.36Å; A78-M80 VanDerWaalsContact C-N 3.32Å; A78-M80 PolarHBondContact O-N 3.28Å; A78-K81 PolarHBondContact O-N 3.26Å; A78-K81 VanDerWaalsContact O-N 3.17Å; A78-I82 WeakPolarHBondContact O-CG1 3.35Å; A78-I82 PolarHBondContact O-N 3.3Å
79	I	73.8	Confident	68.7	Low	10 Å²	10	68.8 Å²	68.8	5%	0.051	37%	0.366	C	S	.	.	H	α-helix	trans	-59.9	-45.4	174.6	-57.4	172.9	0	0	0	110.3	F71 L74 P75 T76 K81 I82 L83 V104	F71-I79 VanDerWaalsContact O-CD1 3.26Å; F71-I79 WeakPolarHBondContact O-CD1 3.34Å; L74-I79 HydrophobicContact CB-CD1 4.29Å; L74-I79 HydrophobicContact CB-CG1 3.73Å; L74-I79 WeakPolarHBondContact O-CD1 3.31Å; P75-I79 PolarHBondContact O-N 3.1Å; P75-I79 VanDerWaalsContact O-N 3.14Å; T76-I79 PolarHBondContact O-N 3.19Å; I79-K81 VanDerWaalsContact C-N 3.28Å; I79-K81 PolarHBondContact O-N 3.3Å; I79-I82 PolarHBondContact O-N 2.58Å; I79-I82 VanDerWaalsContact O-N 3.16Å; I79-L83 HydrophobicContact CG2-CD1 3.92Å; I79-L83 HydrophobicContact CG2-CG 4.1Å; I79-L83 WeakPolarHBondContact O-CB 3.31Å; I79-L83 VanDerWaalsContact O-CG 3.3Å; I79-L83 WeakPolarHBondContact O-CG 3.45Å; I79-L83 PolarHBondContact O-N 2.78Å; I79-V104 HydrophobicContact CG2-CG1 3.7Å
80	M	72.6	Confident	69.2	Low	9 Å²	9	68.1 Å²	68.1	4%	0.044	37%	0.365	C	S	.	.	H	α-helix	trans	-62.9	-34.7	177.9	-69.5	-59.8	-67.7	0	0	112.7	T76 A78 L83 S84 N108 A110	T76-M80 HydrophobicContact CG2-CG 4.29Å; T76-M80 WeakPolarHBondContact O-CB 3.46Å; T76-M80 WeakPolarHBondContact O-CG 3.25Å; T76-M80 PolarHBondContact O-N 3.01Å; A78-M80 VanDerWaalsContact C-N 3.32Å; A78-M80 PolarHBondContact O-N 3.28Å; M80-L83 HydrophobicContact SD-CD1 4.18Å; M80-S84 WeakPolarHBondContact O-CB 3.48Å; M80-S84 PolarHBondContact O-N 3.13Å; M80-N108 HydrophobicContact CE-CB 4.03Å; M80-N108 WeakPolarHBondContact CE-O 3.45Å; M80-N108 HydrophobicContact CG-CB 4.41Å; M80-N108 HydrophobicContact SD-CB 3.57Å; M80-N108 VanDerWaalsContact SD-CB 3.57Å; M80-A110 VanDerWaalsContact CE-CA 3.47Å; M80-A110 HydrophobicContact CE-CB 3.69Å; M80-A110 HydrophobicContact SD-CB 4.05Å
81	K	70.1	Confident	69.8	Low	128 Å²	128	63.8 Å²	63.8	56%	0.557	34%	0.336	S	S	*	.	H	α-helix	trans	-68.5	-42.1	174.1	-171.8	61.2	176.9	174.8	0	111.3	H77 A78 I79 S84 F85	H77-K81 WeakPolarHBondContact O-CB 3.38Å; H77-K81 PolarHBondContact O-N 2.69Å; A78-K81 PolarHBondContact O-N 3.26Å; A78-K81 VanDerWaalsContact O-N 3.17Å; I79-K81 VanDerWaalsContact C-N 3.28Å; I79-K81 PolarHBondContact O-N 3.3Å; K81-S84 PolarHBondContact O-N 3.13Å; K81-S84 PolarHBondContact O-OG 3.41Å; K81-F85 HydrophobicContact CD-CE2 4.26Å; K81-F85 HydrophobicContact CG-CE2 4.1Å; K81-F85 WeakPolarHBondContact O-CD2 3.33Å; K81-F85 WeakPolarHBondContact O-CE2 3.15Å
82	I	75.1	Confident	70.1	Confident	66 Å²	66	61.4 Å²	61.4	34%	0.338	33%	0.331	S	S	.	.	H	α-helix	trans	-61.2	-50	174.6	-66.7	164.2	0	0	0	110.3	F71 L74 A78 I79 S84 F85	F71-I82 HydrophobicContact CD1-CD1 4.41Å; F71-I82 HydrophobicContact CE1-CD1 4.43Å; L74-I82 HydrophobicContact CD1-CD1 3.61Å; A78-I82 WeakPolarHBondContact O-CG1 3.35Å; A78-I82 PolarHBondContact O-N 3.3Å; I79-I82 PolarHBondContact O-N 2.58Å; I79-I82 VanDerWaalsContact O-N 3.16Å; I82-S84 PolarHBondContact O-N 2.76Å; I82-F85 PolarHBondContact O-N 2.77Å; I82-F85 VanDerWaalsContact O-N 3.09Å
83	L	75	Confident	70.5	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-58.7	-32.7	177.6	-73.5	179	0	0	0	112.6	I79 M80 F85 L86 L91 C94 W101 V104 V105 A110	I79-L83 HydrophobicContact CG2-CD1 3.92Å; I79-L83 HydrophobicContact CG2-CG 4.1Å; I79-L83 WeakPolarHBondContact O-CB 3.31Å; I79-L83 VanDerWaalsContact O-CG 3.3Å; I79-L83 WeakPolarHBondContact O-CG 3.45Å; I79-L83 PolarHBondContact O-N 2.78Å; M80-L83 HydrophobicContact SD-CD1 4.18Å; L83-F85 PolarHBondContact O-N 3.17Å; L83-L86 HydrophobicContact CD2-CD1 3.79Å; L83-L86 WeakPolarHBondContact O-CB 3.42Å; L83-L86 PolarHBondContact O-N 3.1Å; L83-L86 VanDerWaalsContact O-N 3.12Å; L83-L91 HydrophobicContact CB-CD1 3.97Å; L83-L91 HydrophobicContact CD2-CD1 3.94Å; L83-L91 HydrophobicContact CG-CD1 4.46Å; L83-C94 HydrophobicContact CD2-CB 4.38Å; L83-W101 HydrophobicContact CD2-CE3 4.38Å; L83-W101 HydrophobicContact CD2-CZ3 3.72Å; L83-V104 HydrophobicContact CD1-CG1 3.89Å; L83-V105 HydrophobicContact CD1-CG2 4.15Å; L83-V105 HydrophobicContact CD2-CG2 4.29Å; L83-A110 HydrophobicContact CD1-CB 4.21Å
84	S	69.7	Low	71	Confident	36 Å²	36	60.8 Å²	60.8	25%	0.252	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.9	178.3	76	0	0	0	0	114.5	M80 K81 I82	M80-S84 WeakPolarHBondContact O-CB 3.48Å; M80-S84 PolarHBondContact O-N 3.13Å; K81-S84 PolarHBondContact O-N 3.13Å; K81-S84 PolarHBondContact O-OG 3.41Å; I82-S84 PolarHBondContact O-N 2.76Å
85	F	71.5	Confident	71.4	Confident	156 Å²	156	58.6 Å²	58.6	68%	0.684	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-10.3	175.5	-66.6	-71.9	0	0	0	113.6	K81 I82 L83	K81-F85 HydrophobicContact CD-CE2 4.26Å; K81-F85 HydrophobicContact CG-CE2 4.1Å; K81-F85 WeakPolarHBondContact O-CD2 3.33Å; K81-F85 WeakPolarHBondContact O-CE2 3.15Å; I82-F85 PolarHBondContact O-N 2.77Å; I82-F85 VanDerWaalsContact O-N 3.09Å; L83-F85 PolarHBondContact O-N 3.17Å
86	L	68	Low	71.7	Confident	51 Å²	51	62 Å²	62	27%	0.267	32%	0.32	S	S	.	.	S	Bend	trans	-81.2	146.4	180	-60.5	-179.2	0	0	0	110.6	L83 L91 C94 L114	L83-L86 HydrophobicContact CD2-CD1 3.79Å; L83-L86 WeakPolarHBondContact O-CB 3.42Å; L83-L86 PolarHBondContact O-N 3.1Å; L83-L86 VanDerWaalsContact O-N 3.12Å; L86-L91 HydrophobicContact CB-CD1 4.42Å; L86-C94 WeakPolarHBondContact CD1-SG 3.45Å; L86-L114 WeakPolarHBondContact O-CD1 3.39Å
87	D	62.1	Low	72.3	Confident	59 Å²	59	62.5 Å²	62.5	32%	0.316	32%	0.322	S	S	.	.			trans	-71.4	161.6	167.7	70.6	69	0	0	0	110.8	V89 S90 L91	D87-V89 VanDerWaalsContact C-N 3.26Å; D87-V89 PolarHBondContact O-N 3.12Å; D87-V89 VanDerWaalsContact OD1-CA 3.29Å; D87-V89 WeakPolarHBondContact OD1-CA 3.46Å; D87-V89 VanDerWaalsContact OD1-CB 3.23Å; D87-V89 WeakPolarHBondContact OD1-CB 3.44Å; D87-V89 PolarHBondContact OD1-N 2.93Å; D87-S90 WeakPolarHBondContact O-CB 3.28Å; D87-S90 PolarHBondContact O-N 3.2Å; D87-S90 VanDerWaalsContact O-N 3.13Å; D87-S90 PolarHBondContact OD1-N 3.06Å; D87-S90 PolarHBondContact OD1-OG 3.39Å; D87-S90 WeakPolarHBondContact OD2-CB 2.77Å; D87-S90 PolarHBondContact OD2-OG 3.14Å; D87-L91 PolarHBondContact O-N 2.74Å
88	P	64.8	Low	72.7	Confident	30 Å²	30	57.5 Å²	57.5	20%	0.195	30%	0.303	C	S	.	.	H	α-helix	trans	-53	-36.7	178.8	-29.7	35.8	0	0	0	115.1	L91 C92 W111 L114	P88-L91 PolarHBondContact O-N 3.01Å; P88-C92 PolarHBondContact O-N 2.84Å; P88-W111 HydrophobicContact CB-CZ3 4.08Å; P88-W111 WeakPolarHBondContact O-CH2 3.43Å; P88-L114 HydrophobicContact CG-CD2 3.8Å
89	V	68.3	Low	72.9	Confident	86 Å²	86	64.6 Å²	64.6	52%	0.521	33%	0.329	S	S	.	.	H	α-helix	trans	-70.2	-42.6	-179.9	-179.3	0	0	0	0	110.1	D87 L91 C92 R93	D87-V89 VanDerWaalsContact C-N 3.26Å; D87-V89 PolarHBondContact O-N 3.12Å; D87-V89 VanDerWaalsContact OD1-CA 3.29Å; D87-V89 WeakPolarHBondContact OD1-CA 3.46Å; D87-V89 VanDerWaalsContact OD1-CB 3.23Å; D87-V89 WeakPolarHBondContact OD1-CB 3.44Å; D87-V89 PolarHBondContact OD1-N 2.93Å; V89-L91 VanDerWaalsContact C-N 3.34Å; V89-C92 WeakPolarHBondContact O-CB 3.49Å; V89-C92 PolarHBondContact O-N 3.34Å; V89-R93 WeakPolarHBondContact O-CG 3.5Å; V89-R93 PolarHBondContact O-N 3.01Å
90	S	73.6	Confident	72.9	Confident	30 Å²	30	69.4 Å²	69.4	21%	0.21	35%	0.352	C	S	.	.	H	α-helix	trans	-64.5	-37.6	174.5	-65.8	0	0	0	0	111.5	D87 R93 C94	D87-S90 WeakPolarHBondContact O-CB 3.28Å; D87-S90 PolarHBondContact O-N 3.2Å; D87-S90 VanDerWaalsContact O-N 3.13Å; D87-S90 PolarHBondContact OD1-N 3.06Å; D87-S90 PolarHBondContact OD1-OG 3.39Å; D87-S90 WeakPolarHBondContact OD2-CB 2.77Å; D87-S90 PolarHBondContact OD2-OG 3.14Å; S90-R93 WeakPolarHBondContact O-CB 3.31Å; S90-R93 PolarHBondContact O-N 3.31Å; S90-C94 PolarHBondContact O-N 2.54Å; S90-C94 PolarHBondContact O-SG 3.17Å
91	L	73	Confident	73.2	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-66.7	-42.8	174.2	-154	97.1	0	0	0	112.1	L83 L86 D87 P88 V89 R93 C94 S95 V105 A110 W111 L114	L83-L91 HydrophobicContact CB-CD1 3.97Å; L83-L91 HydrophobicContact CD2-CD1 3.94Å; L83-L91 HydrophobicContact CG-CD1 4.46Å; L86-L91 HydrophobicContact CB-CD1 4.42Å; D87-L91 PolarHBondContact O-N 2.74Å; P88-L91 PolarHBondContact O-N 3.01Å; V89-L91 VanDerWaalsContact C-N 3.34Å; L91-R93 VanDerWaalsContact C-N 3.32Å; L91-R93 PolarHBondContact O-N 3.14Å; L91-C94 WeakPolarHBondContact O-CB 3.33Å; L91-C94 PolarHBondContact O-N 3.43Å; L91-S95 PolarHBondContact O-N 3.37Å; L91-V105 HydrophobicContact CD2-CG1 3.67Å; L91-V105 HydrophobicContact CG-CG1 3.9Å; L91-A110 HydrophobicContact CD2-CB 4.35Å; L91-W111 HydrophobicContact CB-CH2 4.25Å; L91-W111 HydrophobicContact CB-CZ2 4.43Å; L91-W111 HydrophobicContact CD2-CD2 3.58Å; L91-W111 HydrophobicContact CD2-CE3 3.85Å; L91-W111 HydrophobicContact CD2-CG 4.07Å; L91-W111 HydrophobicContact CD2-CH2 4.02Å; L91-W111 HydrophobicContact CD2-CZ2 3.78Å; L91-W111 HydrophobicContact CD2-CZ3 4.06Å; L91-L114 HydrophobicContact CB-CD1 4.37Å; L91-L114 HydrophobicContact CD1-CD1 3.89Å; L91-L114 HydrophobicContact CD2-CD1 4.23Å; L91-L114 HydrophobicContact CG-CD1 4.39Å
92	C	71.7	Confident	73.6	Confident	45 Å²	45	68.4 Å²	68.4	30%	0.304	35%	0.349	S	S	.	.	H	α-helix	trans	-56.7	-46.2	169.8	-85.8	0	0	0	0	111.1	P88 V89 C94 S95 M96 W111	P88-C92 PolarHBondContact O-N 2.84Å; V89-C92 WeakPolarHBondContact O-CB 3.49Å; V89-C92 PolarHBondContact O-N 3.34Å; C92-C94 VanDerWaalsContact C-N 3.32Å; C92-C94 PolarHBondContact O-N 2.58Å; C92-S95 PolarHBondContact O-N 3.44Å; C92-S95 VanDerWaalsContact O-N 3.15Å; C92-S95 PolarHBondContact O-OG 2.96Å; C92-M96 PolarHBondContact O-N 3.22Å; C92-W111 HydrophobicContact CB-CH2 4.46Å; C92-W111 WeakPolarHBondContact SG-CH2 3.3Å; C92-W111 VanDerWaalsContact SG-CZ2 3.54Å
93	R	75.4	Confident	73.6	Confident	160 Å²	160	71.3 Å²	71.3	60%	0.604	36%	0.357	S	S	*	.	H	α-helix	trans	-60.8	-40.8	176.8	-73.6	173	179	172.7	-0.4	112	V89 S90 L91 S95 M96 V97	V89-R93 WeakPolarHBondContact O-CG 3.5Å; V89-R93 PolarHBondContact O-N 3.01Å; S90-R93 WeakPolarHBondContact O-CB 3.31Å; S90-R93 PolarHBondContact O-N 3.31Å; L91-R93 VanDerWaalsContact C-N 3.32Å; L91-R93 PolarHBondContact O-N 3.14Å; R93-S95 VanDerWaalsContact C-N 3.32Å; R93-S95 PolarHBondContact O-N 3.22Å; R93-M96 HydrophobicContact CB-CE 4.38Å; R93-M96 HydrophobicContact CG-CE 3.99Å; R93-M96 WeakPolarHBondContact O-CB 3.5Å; R93-M96 PolarHBondContact O-N 2.69Å; R93-V97 PolarHBondContact O-N 3.27Å
94	C	77	Confident	73.6	Confident	19 Å²	19	72 Å²	72	13%	0.128	36%	0.361	C	S	.	.	H	α-helix	trans	-57.8	-45.3	173.7	-69.7	0	0	0	0	111.4	L83 L86 S90 L91 C92 M96 V97 W101 V105	L83-C94 HydrophobicContact CD2-CB 4.38Å; L86-C94 WeakPolarHBondContact CD1-SG 3.45Å; S90-C94 PolarHBondContact O-N 2.54Å; S90-C94 PolarHBondContact O-SG 3.17Å; L91-C94 WeakPolarHBondContact O-CB 3.33Å; L91-C94 PolarHBondContact O-N 3.43Å; C92-C94 VanDerWaalsContact C-N 3.32Å; C92-C94 PolarHBondContact O-N 2.58Å; C94-M96 PolarHBondContact O-N 3.49Å; C94-V97 WeakPolarHBondContact O-CB 3.38Å; C94-V97 WeakPolarHBondContact O-CG2 3.47Å; C94-V97 PolarHBondContact O-N 3.3Å; C94-W101 HydrophobicContact CB-CE3 3.67Å; C94-W101 HydrophobicContact CB-CZ3 3.85Å; C94-W101 WeakPolarHBondContact O-CB 3.37Å; C94-V105 HydrophobicContact CB-CG2 4.12Å
95	S	76.5	Confident	73.8	Confident	24 Å²	24	70.2 Å²	70.2	17%	0.168	35%	0.349	C	S	.	.	H	α-helix	trans	-61.2	-18.5	177.8	77	0	0	0	0	114	L91 C92 R93 M102	L91-S95 PolarHBondContact O-N 3.37Å; C92-S95 PolarHBondContact O-N 3.44Å; C92-S95 VanDerWaalsContact O-N 3.15Å; C92-S95 PolarHBondContact O-OG 2.96Å; R93-S95 VanDerWaalsContact C-N 3.32Å; R93-S95 PolarHBondContact O-N 3.22Å; S95-M102 WeakPolarHBondContact O-CB 3.38Å
96	M	77.8	Confident	73.7	Confident	143 Å²	143	66.2 Å²	66.2	70%	0.704	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-4.9	177.5	-62.3	-173.7	-69.7	0	0	113.9	C92 R93 C94	C92-M96 PolarHBondContact O-N 3.22Å; R93-M96 HydrophobicContact CB-CE 4.38Å; R93-M96 HydrophobicContact CG-CE 3.99Å; R93-M96 WeakPolarHBondContact O-CB 3.5Å; R93-M96 PolarHBondContact O-N 2.69Å; C94-M96 PolarHBondContact O-N 3.49Å
97	V	80.9	Confident	73.5	Confident	89 Å²	89	69.1 Å²	69.1	54%	0.539	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-43.3	-176.9	175.3	0	0	0	0	111.9	R93 C94 W101	R93-V97 PolarHBondContact O-N 3.27Å; C94-V97 WeakPolarHBondContact O-CB 3.38Å; C94-V97 WeakPolarHBondContact O-CG2 3.47Å; C94-V97 PolarHBondContact O-N 3.3Å; V97-W101 HydrophobicContact CB-CB 4.25Å; V97-W101 HydrophobicContact CB-CG 4.08Å; V97-W101 HydrophobicContact CG1-CG 4.36Å
98	S	77	Confident	73.4	Confident	37 Å²	37	68.8 Å²	68.8	26%	0.259	35%	0.345	S	S	.	.			trans	-163.8	168.5	177.8	65.7	0	0	0	0	111	Q100 W101 M102	S98-Q100 PolarHBondContact O-N 3.03Å; S98-Q100 PolarHBondContact OG-N 3.3Å; S98-W101 PolarHBondContact O-N 3.45Å; S98-W101 PolarHBondContact OG-N 3.46Å; S98-M102 PolarHBondContact O-N 2.78Å
99	K	77.4	Confident	73.3	Confident	175 Å²	175	71.3 Å²	71.3	76%	0.761	36%	0.357	S	S	*	.	H	α-helix	trans	-57.6	-35.6	173.2	-69.5	-173.7	178.1	-177.2	0	112.2	M102 Y103	K99-M102 WeakPolarHBondContact O-CB 3.34Å; K99-M102 PolarHBondContact O-N 2.91Å; K99-Y103 WeakPolarHBondContact O-CB 3.43Å; K99-Y103 PolarHBondContact O-N 3.48Å
100	Q	73.2	Confident	73	Confident	112 Å²	112	67.4 Å²	67.4	52%	0.523	33%	0.334	S	S	.	.	H	α-helix	trans	-67.8	-43.8	178	-67.3	84.9	-14.8	0	0	111.6	L72 S98 Y103 V104	L72-Q100 HydrophobicContact CD1-CB 3.44Å; L72-Q100 VanDerWaalsContact CD1-CB 3.44Å; L72-Q100 HydrophobicContact CD1-CG 3.95Å; L72-Q100 HydrophobicContact CD2-CB 3.91Å; L72-Q100 HydrophobicContact CG-CB 4.36Å; S98-Q100 PolarHBondContact O-N 3.03Å; S98-Q100 PolarHBondContact OG-N 3.3Å; Q100-Y103 WeakPolarHBondContact O-CB 3.41Å; Q100-Y103 PolarHBondContact O-N 2.91Å; Q100-V104 WeakPolarHBondContact O-CG2 3.22Å; Q100-V104 PolarHBondContact O-N 3.29Å
101	W	79	Confident	72.5	Confident	21 Å²	21	68.5 Å²	68.5	8%	0.08	33%	0.333	C	S	.	.	H	α-helix	trans	-66.9	-37.6	174.5	-84.3	87.7	0	0	0	112.5	D69 F71 L83 C94 V97 S98 Y103 V104 V105	D69-W101 PolarHBondContact OD2-NE1 3.31Å; F71-W101 HydrophobicContact CB-CH2 4.17Å; F71-W101 HydrophobicContact CB-CZ2 3.54Å; F71-W101 HydrophobicContact CD2-CZ2 4.18Å; F71-W101 HydrophobicContact CG-CH2 4.3Å; F71-W101 AromaticContact CG-CZ2 3.91Å; F71-W101 HydrophobicContact CG-CZ2 3.91Å; L83-W101 HydrophobicContact CD2-CE3 4.38Å; L83-W101 HydrophobicContact CD2-CZ3 3.72Å; C94-W101 HydrophobicContact CB-CE3 3.67Å; C94-W101 HydrophobicContact CB-CZ3 3.85Å; C94-W101 WeakPolarHBondContact O-CB 3.37Å; V97-W101 HydrophobicContact CB-CB 4.25Å; V97-W101 HydrophobicContact CB-CG 4.08Å; V97-W101 HydrophobicContact CG1-CG 4.36Å; S98-W101 PolarHBondContact O-N 3.45Å; S98-W101 PolarHBondContact OG-N 3.46Å; W101-Y103 VanDerWaalsContact C-N 3.29Å; W101-Y103 PolarHBondContact O-N 2.81Å; W101-V104 PolarHBondContact O-N 2.92Å; W101-V105 WeakPolarHBondContact O-CB 3.48Å; W101-V105 VanDerWaalsContact O-CG2 3.3Å; W101-V105 WeakPolarHBondContact O-CG2 3.35Å; W101-V105 PolarHBondContact O-N 3.39Å
102	M	78	Confident	71.9	Confident	94 Å²	94	74.4 Å²	74.4	46%	0.463	36%	0.359	S	S	.	.	H	α-helix	trans	-57.3	-45.4	172.6	-168.2	-179.6	71.2	0	0	111	S95 S98 K99 N106	S95-M102 WeakPolarHBondContact O-CB 3.38Å; S98-M102 PolarHBondContact O-N 2.78Å; K99-M102 WeakPolarHBondContact O-CB 3.34Å; K99-M102 PolarHBondContact O-N 2.91Å; M102-N106 VanDerWaalsContact O-CB 3.26Å; M102-N106 WeakPolarHBondContact O-CB 3.44Å; M102-N106 PolarHBondContact O-N 2.8Å; M102-N106 PolarHBondContact O-ND2 3.49Å
103	Y	76.7	Confident	71.4	Confident	128 Å²	128	78.3 Å²	78.3	50%	0.502	37%	0.367	S	S	.	.	H	α-helix	trans	-61.8	-48.5	175.6	-175.4	-92.7	0	0	0	111.9	K99 Q100 W101 V105 N106 E107	K99-Y103 WeakPolarHBondContact O-CB 3.43Å; K99-Y103 PolarHBondContact O-N 3.48Å; Q100-Y103 WeakPolarHBondContact O-CB 3.41Å; Q100-Y103 PolarHBondContact O-N 2.91Å; W101-Y103 VanDerWaalsContact C-N 3.29Å; W101-Y103 PolarHBondContact O-N 2.81Å; Y103-V105 PolarHBondContact O-N 3.28Å; Y103-N106 PolarHBondContact O-N 3.19Å; Y103-E107 HydrophobicContact CD2-CB 4.35Å; Y103-E107 HydrophobicContact CD2-CG 3.78Å; Y103-E107 HydrophobicContact CE1-CB 4.38Å; Y103-E107 HydrophobicContact CE2-CB 4.13Å; Y103-E107 HydrophobicContact CE2-CG 3.63Å; Y103-E107 WeakPolarHBondContact CE2-OE1 3.44Å; Y103-E107 WeakPolarHBondContact CE2-OE2 3.41Å; Y103-E107 HydrophobicContact CG-CG 4.4Å; Y103-E107 WeakPolarHBondContact O-CB 3.16Å; Y103-E107 PolarHBondContact O-N 3.02Å; Y103-E107 PolarHBondContact OH-OE2 3.5Å
104	V	74.5	Confident	70.7	Confident	16 Å²	16	71 Å²	71	10%	0.097	34%	0.34	C	S	.	.	H	α-helix	trans	-63	-40.7	-179.6	174.9	0	0	0	0	112.1	L72 I79 L83 Q100 W101 N108	L72-V104 HydrophobicContact CD2-CG2 4.23Å; I79-V104 HydrophobicContact CG2-CG1 3.7Å; L83-V104 HydrophobicContact CD1-CG1 3.89Å; Q100-V104 WeakPolarHBondContact O-CG2 3.22Å; Q100-V104 PolarHBondContact O-N 3.29Å; W101-V104 PolarHBondContact O-N 2.92Å; V104-N108 WeakPolarHBondContact O-CB 3.36Å
105	V	73.5	Confident	69.5	Low	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-72.4	-42.8	-179.7	172.4	0	0	0	0	111.5	L83 L91 C94 W101 Y103 A110	L83-V105 HydrophobicContact CD1-CG2 4.15Å; L83-V105 HydrophobicContact CD2-CG2 4.29Å; L91-V105 HydrophobicContact CD2-CG1 3.67Å; L91-V105 HydrophobicContact CG-CG1 3.9Å; C94-V105 HydrophobicContact CB-CG2 4.12Å; W101-V105 WeakPolarHBondContact O-CB 3.48Å; W101-V105 VanDerWaalsContact O-CG2 3.3Å; W101-V105 WeakPolarHBondContact O-CG2 3.35Å; W101-V105 PolarHBondContact O-N 3.39Å; Y103-V105 PolarHBondContact O-N 3.28Å; V105-A110 WeakPolarHBondContact O-CB 3.5Å; V105-A110 PolarHBondContact O-N 3.43Å
106	N	69.4	Low	68.5	Low	72 Å²	72	74.4 Å²	74.4	39%	0.385	36%	0.36	S	S	.	.	H	α-helix	trans	-86.7	-45	-173	-67.5	-20.3	0	0	0	113.3	M102 Y103 W111	M102-N106 VanDerWaalsContact O-CB 3.26Å; M102-N106 WeakPolarHBondContact O-CB 3.44Å; M102-N106 PolarHBondContact O-N 2.8Å; M102-N106 PolarHBondContact O-ND2 3.49Å; Y103-N106 PolarHBondContact O-N 3.19Å; N106-W111 PolarHBondContact OD1-NE1 3.2Å
107	E	64.6	Low	67.4	Low	111 Å²	111	73 Å²	73	52%	0.519	36%	0.356	S	S	.	.	H	α-helix	trans	-80.6	-32.2	-175.1	-70.5	-144	-174.2	0	0	113.7	Y103 N109	Y103-E107 HydrophobicContact CD2-CB 4.35Å; Y103-E107 HydrophobicContact CD2-CG 3.78Å; Y103-E107 HydrophobicContact CE1-CB 4.38Å; Y103-E107 HydrophobicContact CE2-CB 4.13Å; Y103-E107 HydrophobicContact CE2-CG 3.63Å; Y103-E107 WeakPolarHBondContact CE2-OE1 3.44Å; Y103-E107 WeakPolarHBondContact CE2-OE2 3.41Å; Y103-E107 HydrophobicContact CG-CG 4.4Å; Y103-E107 WeakPolarHBondContact O-CB 3.16Å; Y103-E107 PolarHBondContact O-N 3.02Å; Y103-E107 PolarHBondContact OH-OE2 3.5Å; E107-N109 PolarHBondContact O-N 3.31Å; E107-N109 VanDerWaalsContact O-N 3.13Å
108	N	59.8	Low	66	Low	53 Å²	53	70.7 Å²	70.7	28%	0.283	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	18	-179.8	-70.3	-48.3	0	0	0	114	T76 M80 V104 A110	T76-N108 WeakPolarHBondContact CG2-ND2 3.32Å; M80-N108 HydrophobicContact CE-CB 4.03Å; M80-N108 WeakPolarHBondContact CE-O 3.45Å; M80-N108 HydrophobicContact CG-CB 4.41Å; M80-N108 HydrophobicContact SD-CB 3.57Å; M80-N108 VanDerWaalsContact SD-CB 3.57Å; V104-N108 WeakPolarHBondContact O-CB 3.36Å; N108-A110 PolarHBondContact O-N 3.48Å
109	N	62.6	Low	64.8	Low	83 Å²	83	76.9 Å²	76.9	44%	0.444	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	31.5	178.1	-75	-65	0	0	0	113.2	E107 W111 K112 R113	E107-N109 PolarHBondContact O-N 3.31Å; E107-N109 VanDerWaalsContact O-N 3.13Å; N109-W111 VanDerWaalsContact C-N 3.26Å; N109-W111 PolarHBondContact O-N 3.45Å; N109-K112 HydrophobicContact CB-CB 3.98Å; N109-K112 WeakPolarHBondContact O-CB 3.5Å; N109-K112 PolarHBondContact O-N 3.31Å; N109-R113 PolarHBondContact O-N 3.42Å
110	A	62.3	Low	63.2	Low	4 Å²	4	75.7 Å²	75.7	3%	0.033	36%	0.364	C	S	.	.	H	α-helix	trans	-60.1	-40.1	-179.5	0	0	0	0	0	111.1	M80 L83 L91 V105 N108 K112 R113 L114	M80-A110 VanDerWaalsContact CE-CA 3.47Å; M80-A110 HydrophobicContact CE-CB 3.69Å; M80-A110 HydrophobicContact SD-CB 4.05Å; L83-A110 HydrophobicContact CD1-CB 4.21Å; L91-A110 HydrophobicContact CD2-CB 4.35Å; V105-A110 WeakPolarHBondContact O-CB 3.5Å; V105-A110 PolarHBondContact O-N 3.43Å; N108-A110 PolarHBondContact O-N 3.48Å; A110-K112 PolarHBondContact O-N 2.97Å; A110-R113 PolarHBondContact O-N 3.1Å; A110-L114 VanDerWaalsContact O-CB 3.3Å; A110-L114 WeakPolarHBondContact O-CB 3.27Å; A110-L114 PolarHBondContact O-N 3.12Å
111	W	63.1	Low	61.9	Low	52 Å²	52	75.2 Å²	75.2	20%	0.197	36%	0.358	C	S	.	.	H	α-helix	trans	-55.9	-47.9	169.8	-72.3	108.4	0	0	0	113.1	P88 L91 C92 N106 N109 R113 L114 C115 I148	P88-W111 HydrophobicContact CB-CZ3 4.08Å; P88-W111 WeakPolarHBondContact O-CH2 3.43Å; L91-W111 HydrophobicContact CB-CH2 4.25Å; L91-W111 HydrophobicContact CB-CZ2 4.43Å; L91-W111 HydrophobicContact CD2-CD2 3.58Å; L91-W111 HydrophobicContact CD2-CE3 3.85Å; L91-W111 HydrophobicContact CD2-CG 4.07Å; L91-W111 HydrophobicContact CD2-CH2 4.02Å; L91-W111 HydrophobicContact CD2-CZ2 3.78Å; L91-W111 HydrophobicContact CD2-CZ3 4.06Å; C92-W111 HydrophobicContact CB-CH2 4.46Å; C92-W111 WeakPolarHBondContact SG-CH2 3.3Å; C92-W111 VanDerWaalsContact SG-CZ2 3.54Å; N106-W111 PolarHBondContact OD1-NE1 3.2Å; N109-W111 VanDerWaalsContact C-N 3.26Å; N109-W111 PolarHBondContact O-N 3.45Å; W111-R113 PolarHBondContact O-N 3.19Å; W111-L114 PolarHBondContact O-N 3.38Å; W111-C115 WeakPolarHBondContact O-CB 3.43Å; W111-C115 PolarHBondContact O-N 3.23Å; W111-C115 PolarHBondContact O-SG 2.85Å; W111-I148 HydrophobicContact CH2-CD1 4.3Å; W111-I148 HydrophobicContact CZ3-CD1 4.02Å
112	K	60.6	Low	60.4	Low	125 Å²	125	79.8 Å²	79.8	54%	0.543	38%	0.375	S	S	.	.	H	α-helix	trans	-63.2	-44.1	-179.4	-169.2	177.4	-179.5	174.4	0	111	N109 A110 C115 T116	N109-K112 HydrophobicContact CB-CB 3.98Å; N109-K112 WeakPolarHBondContact O-CB 3.5Å; N109-K112 PolarHBondContact O-N 3.31Å; A110-K112 PolarHBondContact O-N 2.97Å; K112-C115 PolarHBondContact O-N 2.83Å; K112-T116 WeakPolarHBondContact O-CB 2.76Å; K112-T116 VanDerWaalsContact O-CG2 3.29Å; K112-T116 WeakPolarHBondContact O-CG2 3.46Å; K112-T116 PolarHBondContact O-N 3.35Å; K112-T116 PolarHBondContact O-OG1 2.99Å
113	R	60.5	Low	58.9	Low	127 Å²	127	81.7 Å²	81.7	48%	0.479	39%	0.386	S	S	.	.	H	α-helix	trans	-65.1	-41.6	175.5	-78	-173.3	-179.9	150.8	2.7	112.1	N109 A110 W111 C115 T116 D117	N109-R113 PolarHBondContact O-N 3.42Å; A110-R113 PolarHBondContact O-N 3.1Å; W111-R113 PolarHBondContact O-N 3.19Å; R113-C115 VanDerWaalsContact C-N 3.35Å; R113-C115 PolarHBondContact O-N 3.04Å; R113-T116 WeakPolarHBondContact CA-OG1 3.42Å; R113-T116 PolarHBondContact O-N 2.9Å; R113-T116 PolarHBondContact O-OG1 3.48Å; R113-D117 VanDerWaalsContact O-CB 3.25Å; R113-D117 WeakPolarHBondContact O-CB 3.23Å; R113-D117 PolarHBondContact O-N 3.25Å
114	L	60.5	Low	57.4	Low	5 Å²	5	77.2 Å²	77.2	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-63.1	-41.6	177.6	-164.9	150	0	0	0	111.7	L86 P88 L91 A110 W111 N118	L86-L114 WeakPolarHBondContact O-CD1 3.39Å; P88-L114 HydrophobicContact CG-CD2 3.8Å; L91-L114 HydrophobicContact CB-CD1 4.37Å; L91-L114 HydrophobicContact CD1-CD1 3.89Å; L91-L114 HydrophobicContact CD2-CD1 4.23Å; L91-L114 HydrophobicContact CG-CD1 4.39Å; A110-L114 VanDerWaalsContact O-CB 3.3Å; A110-L114 WeakPolarHBondContact O-CB 3.27Å; A110-L114 PolarHBondContact O-N 3.12Å; W111-L114 PolarHBondContact O-N 3.38Å; L114-N118 WeakPolarHBondContact O-CB 2.97Å; L114-N118 PolarHBondContact O-N 3.41Å
115	C	52	Low	56.3	Low	35 Å²	35	78 Å²	78	24%	0.236	38%	0.38	C	S	.	.	H	α-helix	trans	-70.9	-32.4	176	-65.5	0	0	0	0	113.5	W111 K112 R113	W111-C115 WeakPolarHBondContact O-CB 3.43Å; W111-C115 PolarHBondContact O-N 3.23Å; W111-C115 PolarHBondContact O-SG 2.85Å; K112-C115 PolarHBondContact O-N 2.83Å; R113-C115 VanDerWaalsContact C-N 3.35Å; R113-C115 PolarHBondContact O-N 3.04Å
116	T	55.2	Low	55.2	Low	80 Å²	80	84 Å²	84	49%	0.491	41%	0.406	S	S	.	.	H	α-helix	trans	-91.6	-37.3	-175.2	50.8	0	0	0	0	114.1	K112 R113	K112-T116 WeakPolarHBondContact O-CB 2.76Å; K112-T116 VanDerWaalsContact O-CG2 3.29Å; K112-T116 WeakPolarHBondContact O-CG2 3.46Å; K112-T116 PolarHBondContact O-N 3.35Å; K112-T116 PolarHBondContact O-OG1 2.99Å; R113-T116 WeakPolarHBondContact CA-OG1 3.42Å; R113-T116 PolarHBondContact O-N 2.9Å; R113-T116 PolarHBondContact O-OG1 3.48Å
117	D	54.2	Low	54.1	Low	115 Å²	115	86.1 Å²	86.1	62%	0.615	41%	0.414	S	S	*	.	H	α-helix	trans	-89.2	-28.6	-176	-68.2	-27.4	0	0	0	112.5	R113 K119	R113-D117 VanDerWaalsContact O-CB 3.25Å; R113-D117 WeakPolarHBondContact O-CB 3.23Å; R113-D117 PolarHBondContact O-N 3.25Å; D117-K119 PolarHBondContact O-N 3.43Å
118	N	51.9	Low	53.2	Low	39 Å²	39	81.6 Å²	81.6	21%	0.209	40%	0.395	C	S	.	.			trans	-86.6	95.3	-177.2	-156.3	-29.8	0	0	0	111.7	L114 L120 Y121	L114-N118 WeakPolarHBondContact O-CB 2.97Å; L114-N118 PolarHBondContact O-N 3.41Å; N118-L120 PolarHBondContact O-N 2.92Å; N118-L120 WeakPolarHBondContact OD1-CB 3.48Å; N118-L120 PolarHBondContact OD1-N 2.76Å; N118-L120 VanDerWaalsContact OD1-N 3.13Å; N118-Y121 HydrophobicContact CB-CD2 4.16Å; N118-Y121 VanDerWaalsContact CG-CD2 3.5Å; N118-Y121 VanDerWaalsContact ND2-CD2 3.34Å; N118-Y121 WeakPolarHBondContact ND2-CD2 3.22Å; N118-Y121 PolarHBondContact O-N 2.95Å
119	K	52.4	Low	52.7	Low	168 Å²	168	81 Å²	81	73%	0.73	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-20.1	175.3	-68.3	-177.2	179.5	177.3	0	113.9	D117 S376	D117-K119 PolarHBondContact O-N 3.43Å; K119-S376 PolarHBondContact NZ-OG 3.3Å
120	L	42.2	Very low	52.2	Low	149 Å²	149	81.4 Å²	81.4	78%	0.78	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-22.7	179.4	-63.7	164.5	0	0	0	113.5	N118	N118-L120 PolarHBondContact O-N 2.92Å; N118-L120 WeakPolarHBondContact OD1-CB 3.48Å; N118-L120 PolarHBondContact OD1-N 2.76Å; N118-L120 VanDerWaalsContact OD1-N 3.13Å
121	Y	47.3	Very low	51.6	Low	102 Å²	102	85 Å²	85	40%	0.4	41%	0.405	S	S	.	.			trans	-120.8	23	-172.6	-62.1	-74	0	0	0	113.9	N118 L123	N118-Y121 HydrophobicContact CB-CD2 4.16Å; N118-Y121 VanDerWaalsContact CG-CD2 3.5Å; N118-Y121 VanDerWaalsContact ND2-CD2 3.34Å; N118-Y121 WeakPolarHBondContact ND2-CD2 3.22Å; N118-Y121 PolarHBondContact O-N 2.95Å; Y121-L123 VanDerWaalsContact C-N 3.31Å; Y121-L123 PolarHBondContact O-N 3.17Å
122	R	47.8	Very low	50.9	Low	117 Å²	117	86.3 Å²	86.3	44%	0.442	41%	0.413	S	S	.	.			trans	-67.6	94.3	173.7	-153.4	-168.3	-170.5	144.4	16	109.8	S124 E129	R122-S124 WeakPolarHBondContact CD-O 3.33Å; R122-S124 WeakPolarHBondContact CG-O 3.21Å; R122-S124 PolarHBondContact NE-O 2.92Å; R122-S124 PolarHBondContact O-N 2.79Å; R122-E129 WeakPolarHBondContact CG-OE1 3.32Å; R122-E129 IonicContact CZ-OE2 2.76Å; R122-E129 IonicContact NE-OE1 3.92Å; R122-E129 PolarHBondContact NE-OE1 3.2Å; R122-E129 IonicContact NE-OE2 2.74Å; R122-E129 PolarHBondContact NE-OE2 2.95Å; R122-E129 IonicContact NH2-OE1 3Å; R122-E129 IonicContact NH2-OE2 3.97Å; R122-E129 PolarHBondContact NH2-OE2 2.79Å
123	L	46.7	Very low	50.3	Low	134 Å²	134	82.1 Å²	82.1	70%	0.702	40%	0.402	S	S	*	.			trans	-70.3	-19.9	-173.8	-75.7	162.9	0	0	0	112.6	Y121	Y121-L123 VanDerWaalsContact C-N 3.31Å; Y121-L123 PolarHBondContact O-N 3.17Å
124	S	45	Very low	49.8	Very low	35 Å²	35	82.6 Å²	82.6	25%	0.245	41%	0.413	C	S	.	.	S	Bend	trans	-149.4	164.2	-178.5	68.7	0	0	0	0	111.6	R122 E129	R122-S124 WeakPolarHBondContact CD-O 3.33Å; R122-S124 WeakPolarHBondContact CG-O 3.21Å; R122-S124 PolarHBondContact NE-O 2.92Å; R122-S124 PolarHBondContact O-N 2.79Å; S124-E129 VanDerWaalsContact OG-CG 3.3Å; S124-E129 WeakPolarHBondContact OG-CG 3.28Å; S124-E129 PolarHBondContact OG-N 3.23Å
125	S	49.6	Very low	49.2	Very low	33 Å²	33	88.9 Å²	88.9	23%	0.231	44%	0.44	C	S	.	.			trans	-61.6	157.6	175	66	0	0	0	0	110.1	Q127 A128 E129	S125-Q127 PolarHBondContact O-N 3.25Å; S125-Q127 VanDerWaalsContact O-N 3.08Å; S125-A128 WeakPolarHBondContact O-CA 3.37Å; S125-A128 PolarHBondContact O-N 3.35Å; S125-A128 WeakPolarHBondContact OG-CB 3.22Å; S125-A128 PolarHBondContact OG-N 3.43Å; S125-A128 VanDerWaalsContact OG-N 3.13Å; S125-E129 PolarHBondContact O-N 3.18Å
126	K	51.4	Low	48.8	Very low	124 Å²	124	92 Å²	92	54%	0.539	45%	0.45	S	S	.	.	H	α-helix	trans	-49	-39.4	172.9	-165.3	-174	179.8	-144.3	0	111.9	E129 E130	K126-E129 PolarHBondContact O-N 3.43Å; K126-E130 WeakPolarHBondContact CE-OE1 3.5Å; K126-E130 IonicContact NZ-OE1 3.86Å; K126-E130 PolarHBondContact NZ-OE1 3.49Å; K126-E130 WeakPolarHBondContact O-CB 3.45Å; K126-E130 VanDerWaalsContact O-CG 3.28Å; K126-E130 WeakPolarHBondContact O-CG 3.39Å; K126-E130 PolarHBondContact O-N 2.89Å
127	Q	46.3	Very low	47.9	Very low	118 Å²	118	92.4 Å²	92.4	55%	0.551	45%	0.449	S	S	*	.	H	α-helix	trans	-65.8	-40.4	178.6	-65.1	151.2	-24	0	0	112	S125 K131	S125-Q127 PolarHBondContact O-N 3.25Å; S125-Q127 VanDerWaalsContact O-N 3.08Å; Q127-K131 WeakPolarHBondContact O-CB 3.3Å; Q127-K131 PolarHBondContact O-N 2.77Å
128	A	46.2	Very low	47.4	Very low	15 Å²	15	90.4 Å²	90.4	12%	0.124	44%	0.438	C	S	.	.	H	α-helix	trans	-71.1	-36.7	175	0	0	0	0	0	111.9	S125 K131 H132	S125-A128 WeakPolarHBondContact O-CA 3.37Å; S125-A128 PolarHBondContact O-N 3.35Å; S125-A128 WeakPolarHBondContact OG-CB 3.22Å; S125-A128 PolarHBondContact OG-N 3.43Å; S125-A128 VanDerWaalsContact OG-N 3.13Å; A128-K131 PolarHBondContact O-N 2.86Å; A128-H132 WeakPolarHBondContact O-CB 3.21Å; A128-H132 PolarHBondContact O-CD2 2.69Å; A128-H132 PolarHBondContact O-N 2.9Å
129	E	49.2	Very low	47.1	Very low	40 Å²	40	94.3 Å²	94.3	19%	0.187	47%	0.468	C	S	.	.	H	α-helix	trans	-61.9	-44.4	171.6	-67.4	170.7	172.5	0	0	111.7	R122 S124 S125 K126 H132 A133	R122-E129 WeakPolarHBondContact CG-OE1 3.32Å; R122-E129 IonicContact CZ-OE2 2.76Å; R122-E129 IonicContact NE-OE1 3.92Å; R122-E129 PolarHBondContact NE-OE1 3.2Å; R122-E129 IonicContact NE-OE2 2.74Å; R122-E129 PolarHBondContact NE-OE2 2.95Å; R122-E129 IonicContact NH2-OE1 3Å; R122-E129 IonicContact NH2-OE2 3.97Å; R122-E129 PolarHBondContact NH2-OE2 2.79Å; S124-E129 VanDerWaalsContact OG-CG 3.3Å; S124-E129 WeakPolarHBondContact OG-CG 3.28Å; S124-E129 PolarHBondContact OG-N 3.23Å; S125-E129 PolarHBondContact O-N 3.18Å; K126-E129 PolarHBondContact O-N 3.43Å; E129-H132 PolarHBondContact O-N 2.62Å; E129-A133 VanDerWaalsContact O-CB 3.31Å; E129-A133 WeakPolarHBondContact O-CB 3.25Å; E129-A133 PolarHBondContact O-N 2.78Å
130	E	52	Low	46.6	Very low	92 Å²	92	92.3 Å²	92.3	43%	0.43	47%	0.466	S	S	.	.	H	α-helix	trans	-62.7	-42.4	175.7	-74.3	166.3	-179	0	0	111.1	K126 A133 L134	K126-E130 WeakPolarHBondContact CE-OE1 3.5Å; K126-E130 IonicContact NZ-OE1 3.86Å; K126-E130 PolarHBondContact NZ-OE1 3.49Å; K126-E130 WeakPolarHBondContact O-CB 3.45Å; K126-E130 VanDerWaalsContact O-CG 3.28Å; K126-E130 WeakPolarHBondContact O-CG 3.39Å; K126-E130 PolarHBondContact O-N 2.89Å; E130-A133 PolarHBondContact O-N 2.82Å; E130-L134 WeakPolarHBondContact O-CG 3.46Å; E130-L134 PolarHBondContact O-N 3.43Å
131	K	49.2	Very low	46.4	Very low	81 Å²	81	87.6 Å²	87.6	35%	0.352	45%	0.453	S	S	.	.	H	α-helix	trans	-63.5	-42.9	174.9	-174.7	175.9	-179.3	176.4	0	112.4	Q127 A128 L134 K135 D175	Q127-K131 WeakPolarHBondContact O-CB 3.3Å; Q127-K131 PolarHBondContact O-N 2.77Å; A128-K131 PolarHBondContact O-N 2.86Å; K131-L134 PolarHBondContact O-N 2.82Å; K131-K135 VanDerWaalsContact O-CB 3.26Å; K131-K135 WeakPolarHBondContact O-CB 3.47Å; K131-K135 PolarHBondContact O-N 2.99Å; K131-D175 WeakPolarHBondContact CD-OD2 3.39Å; K131-D175 WeakPolarHBondContact CE-OD2 3.41Å; K131-D175 IonicContact NZ-OD2 2.72Å; K131-D175 PolarHBondContact NZ-OD2 2.82Å
132	H	49.7	Very low	45.9	Very low	78 Å²	78	88.8 Å²	88.8	36%	0.361	46%	0.462	S	S	.	.	H	α-helix	trans	-67.3	-41.5	176.2	-78.7	-127.2	0	0	0	110.7	A128 E129 L134 K135 F136	A128-H132 WeakPolarHBondContact O-CB 3.21Å; A128-H132 PolarHBondContact O-CD2 2.69Å; A128-H132 PolarHBondContact O-N 2.9Å; E129-H132 PolarHBondContact O-N 2.62Å; H132-L134 VanDerWaalsContact C-N 3.31Å; H132-L134 PolarHBondContact O-N 2.85Å; H132-K135 PolarHBondContact O-N 3.03Å; H132-F136 HydrophobicContact CB-CD2 4.22Å; H132-F136 HydrophobicContact CB-CE2 4.38Å; H132-F136 AromaticContact ND1-CE2 3.92Å; H132-F136 WeakPolarHBondContact O-CB 3.21Å; H132-F136 WeakPolarHBondContact O-CD2 3.35Å; H132-F136 PolarHBondContact O-N 3.17Å
133	A	47	Very low	45.5	Very low	37 Å²	37	87.2 Å²	87.2	31%	0.306	46%	0.462	S	S	.	.	H	α-helix	trans	-59.5	-42.2	175.1	0	0	0	0	0	111.6	E129 E130 L137	E129-A133 VanDerWaalsContact O-CB 3.31Å; E129-A133 WeakPolarHBondContact O-CB 3.25Å; E129-A133 PolarHBondContact O-N 2.78Å; E130-A133 PolarHBondContact O-N 2.82Å; A133-L137 WeakPolarHBondContact O-CB 3.12Å; A133-L137 VanDerWaalsContact O-CD1 3.27Å; A133-L137 WeakPolarHBondContact O-CD1 3.47Å; A133-L137 PolarHBondContact O-N 2.83Å; A133-L137 VanDerWaalsContact O-N 3.12Å
134	L	50.7	Low	45.2	Very low	138 Å²	138	90.5 Å²	90.5	72%	0.723	47%	0.465	S	S	*	.	H	α-helix	trans	-68.5	-38.9	175.7	-72.5	165.4	0	0	0	112.9	E130 K131 H132	E130-L134 WeakPolarHBondContact O-CG 3.46Å; E130-L134 PolarHBondContact O-N 3.43Å; K131-L134 PolarHBondContact O-N 2.82Å; H132-L134 VanDerWaalsContact C-N 3.31Å; H132-L134 PolarHBondContact O-N 2.85Å
135	K	47.6	Very low	44.9	Very low	137 Å²	137	92.1 Å²	92.1	60%	0.596	48%	0.48	S	S	*	.	H	α-helix	trans	-73.5	-26.4	-178.2	-166.4	174	-176.9	179.1	0	113.2	K131 H132	K131-K135 VanDerWaalsContact O-CB 3.26Å; K131-K135 WeakPolarHBondContact O-CB 3.47Å; K131-K135 PolarHBondContact O-N 2.99Å; H132-K135 PolarHBondContact O-N 3.03Å
136	F	43.7	Very low	44.3	Very low	99 Å²	99	96.2 Å²	96.2	43%	0.434	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	11.1	-178.1	-61.8	-68.7	0	0	0	113.5	H132 I143	H132-F136 HydrophobicContact CB-CD2 4.22Å; H132-F136 HydrophobicContact CB-CE2 4.38Å; H132-F136 AromaticContact ND1-CE2 3.92Å; H132-F136 WeakPolarHBondContact O-CB 3.21Å; H132-F136 WeakPolarHBondContact O-CD2 3.35Å; H132-F136 PolarHBondContact O-N 3.17Å; F136-I143 HydrophobicContact CB-CG2 4.48Å
137	L	36.1	Very low	43.3	Very low	90 Å²	90	97.2 Å²	97.2	47%	0.471	50%	0.504	S	S	.	.	B	Isolated β-bridge	trans	-78.7	117.2	171.1	-133.1	86.3	0	0	0	109.3	A133 I143	A133-L137 WeakPolarHBondContact O-CB 3.12Å; A133-L137 VanDerWaalsContact O-CD1 3.27Å; A133-L137 WeakPolarHBondContact O-CD1 3.47Å; A133-L137 PolarHBondContact O-N 2.83Å; A133-L137 VanDerWaalsContact O-N 3.12Å; L137-I143 HydrophobicContact CD1-CG1 4.1Å
138	N	43	Very low	42.7	Very low	73 Å²	73	96.1 Å²	96.1	39%	0.39	50%	0.5	S	S	.	.			trans	-72.8	165.6	164.3	-70.5	-15.9	0	0	0	110.2	D140 G141 E142	N138-D140 PolarHBondContact O-N 3.39Å; N138-G141 PolarHBondContact O-N 3.44Å; N138-E142 PolarHBondContact N-O 2.8Å; N138-E142 VanDerWaalsContact N-O 3.16Å
139	S	46.3	Very low	41.8	Very low	120 Å²	120	104.1 Å²	104.1	84%	0.839	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-20.8	172.3	47	0	0	0	0	114.1
140	D	41.8	Very low	40.7	Very low	127 Å²	127	106.9 Å²	106.9	68%	0.679	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	2.8	-171.4	-43.6	-17.1	0	0	0	111.7	N138 E142	N138-D140 PolarHBondContact O-N 3.39Å; D140-E142 VanDerWaalsContact C-N 3.34Å; D140-E142 PolarHBondContact O-N 2.87Å
141	G	37	Very low	39.5	Very low	49 Å²	49	113.1 Å²	113.1	51%	0.505	58%	0.577	S	S	.	*	S	Bend	trans	82.9	1.2	178.1	0	0	0	0	0	115.5	N138	N138-G141 PolarHBondContact O-N 3.44Å
142	E	37	Very low	38.3	Very low	127 Å²	127	111 Å²	111	59%	0.593	58%	0.578	S	S	*	*			trans	-79.5	133.8	176.8	-67.7	-171.9	162.5	0	0	112.2	N138 D140	N138-E142 PolarHBondContact N-O 2.8Å; N138-E142 VanDerWaalsContact N-O 3.16Å; D140-E142 VanDerWaalsContact C-N 3.34Å; D140-E142 PolarHBondContact O-N 2.87Å
143	I	40.2	Very low	37.1	Very low	85 Å²	85	113.5 Å²	113.5	44%	0.436	60%	0.599	S	S	.	*	B	Isolated β-bridge	trans	-94	115.3	171.1	-60.6	172	0	0	0	107.7	F136 L137 A145	F136-I143 HydrophobicContact CB-CG2 4.48Å; L137-I143 HydrophobicContact CD1-CG1 4.1Å; I143-A145 PolarHBondContact O-N 3.44Å; I143-A145 VanDerWaalsContact O-N 3.1Å
144	R	39.9	Very low	36	Very low	202 Å²	202	119.9 Å²	119.9	76%	0.762	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-60.6	117.5	170.1	-107.8	-175.6	173.2	-179	-0.9	109.2	M146	R144-M146 PolarHBondContact O-N 3Å
145	A	38.2	Very low	34.7	Very low	69 Å²	69	118.4 Å²	118.4	57%	0.57	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-51.4	132.3	178.2	0	0	0	0	0	110.8	I143 E147	I143-A145 PolarHBondContact O-N 3.44Å; I143-A145 VanDerWaalsContact O-N 3.1Å; A145-E147 PolarHBondContact O-N 3.49Å
146	M	37.9	Very low	33.7	Very low	120 Å²	120	116.9 Å²	116.9	59%	0.591	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-49.6	124.2	178.3	-78.8	179.7	-178.7	0	0	110.7	R144 I148	R144-M146 PolarHBondContact O-N 3Å; M146-I148 HydrophobicContact CB-CG1 3.77Å; M146-I148 PolarHBondContact O-N 3.37Å; M146-I148 HydrophobicContact SD-CG1 4.43Å
147	E	30.5	Very low	32.8	Very low	144 Å²	144	121 Å²	121	67%	0.673	66%	0.658	S	S	*	*			trans	-64.3	86.2	151.2	-108.1	-172.8	163.3	0	0	107.3	A145 R149	A145-E147 PolarHBondContact O-N 3.49Å; E147-R149 HydrophobicContact CB-CG 4.28Å; E147-R149 HydrophobicContact CG-CG 4.11Å; E147-R149 PolarHBondContact O-N 3.28Å; E147-R149 IonicContact OE1-CZ 2.68Å; E147-R149 IonicContact OE1-NE 2.67Å; E147-R149 PolarHBondContact OE1-NE 3.35Å; E147-R149 IonicContact OE1-NH2 2.75Å; E147-R149 PolarHBondContact OE1-NH2 2.99Å; E147-R149 IonicContact OE2-CZ 3.93Å; E147-R149 IonicContact OE2-NE 3.07Å; E147-R149 PolarHBondContact OE2-NE 2.74Å; E147-R149 IonicContact OE2-NH2 3.43Å
148	I	34.2	Very low	32.6	Very low	95 Å²	95	121.5 Å²	121.5	49%	0.487	68%	0.675	S	S	.	*			trans	-73.8	63.5	160.5	-50.3	176.4	0	0	0	105.7	W111 M146 S150	W111-I148 HydrophobicContact CH2-CD1 4.3Å; W111-I148 HydrophobicContact CZ3-CD1 4.02Å; M146-I148 HydrophobicContact CB-CG1 3.77Å; M146-I148 PolarHBondContact O-N 3.37Å; M146-I148 HydrophobicContact SD-CG1 4.43Å; I148-S150 PolarHBondContact O-N 2.68Å; I148-S150 VanDerWaalsContact O-N 3.15Å
149	R	26.2	Very low	32	Very low	184 Å²	184	124.8 Å²	124.8	69%	0.694	69%	0.688	S	S	*	*			trans	-69.1	111.5	164.1	-75.5	-170.6	-176	-169.3	7.8	105.3	E147	E147-R149 HydrophobicContact CB-CG 4.28Å; E147-R149 HydrophobicContact CG-CG 4.11Å; E147-R149 PolarHBondContact O-N 3.28Å; E147-R149 IonicContact OE1-CZ 2.68Å; E147-R149 IonicContact OE1-NE 2.67Å; E147-R149 PolarHBondContact OE1-NE 3.35Å; E147-R149 IonicContact OE1-NH2 2.75Å; E147-R149 PolarHBondContact OE1-NH2 2.99Å; E147-R149 IonicContact OE2-CZ 3.93Å; E147-R149 IonicContact OE2-NE 3.07Å; E147-R149 PolarHBondContact OE2-NE 2.74Å; E147-R149 IonicContact OE2-NH2 3.43Å
150	S	26.4	Very low	31.4	Very low	98 Å²	98	123.4 Å²	123.4	69%	0.685	67%	0.671	S	S	*	*			trans	5	122.6	159.5	53.6	0	0	0	0	115	I148 G152	I148-S150 PolarHBondContact O-N 2.68Å; I148-S150 VanDerWaalsContact O-N 3.15Å; S150-G152 PolarHBondContact O-N 3.45Å
151	F	26.3	Very low	31	Very low	223 Å²	223	124.5 Å²	124.5	98%	0.978	68%	0.677	S	S	*	*			trans	-61.3	67.9	148	-89.4	-90.1	0	0	0	108.4
152	G	24.8	Very low	30.9	Very low	36 Å²	36	130.2 Å²	130.2	37%	0.371	69%	0.69	S	S	.	*			trans	-95.6	114.9	170.7	0	0	0	0	0	106.5	S150 L154	S150-G152 PolarHBondContact O-N 3.45Å; G152-L154 PolarHBondContact O-N 3.24Å; G152-L154 VanDerWaalsContact O-N 3.16Å
153	T	24.4	Very low	30.8	Very low	131 Å²	131	126.6 Å²	126.6	80%	0.804	69%	0.687	S	S	*	*			trans	33.7	74	152.5	54	0	0	0	0	115.1	S155	T153-S155 PolarHBondContact O-N 3.1Å
154	L	24.4	Very low	30.8	Very low	170 Å²	170	130.7 Å²	130.7	89%	0.89	70%	0.704	S	S	*	*			trans	-73.8	78.2	162.1	-87.4	162.9	0	0	0	108.4	G152 S156	G152-L154 PolarHBondContact O-N 3.24Å; G152-L154 VanDerWaalsContact O-N 3.16Å; L154-S156 PolarHBondContact O-N 2.94Å
155	S	22.8	Very low	30.8	Very low	107 Å²	107	123.9 Å²	123.9	75%	0.748	69%	0.685	S	S	*	*			trans	-86.2	84.6	163.5	55	0	0	0	0	108.9	T153	T153-S155 PolarHBondContact O-N 3.1Å
156	S	26.5	Very low	31	Very low	105 Å²	105	131.5 Å²	131.5	73%	0.734	70%	0.699	S	S	*	*			trans	-166.7	100.9	146.3	56.1	0	0	0	0	109.4	L154 A158	L154-S156 PolarHBondContact O-N 2.94Å; S156-A158 PolarHBondContact O-N 3.43Å
157	M	24.7	Very low	31	Very low	186 Å²	186	133.9 Å²	133.9	92%	0.916	70%	0.701	S	S	*	*			trans	-67.4	118.1	160.2	-87.2	179.4	-70	0	0	107.3	Q159	M157-Q159 PolarHBondContact O-N 3.31Å; M157-Q159 VanDerWaalsContact O-N 3.11Å
158	A	32	Very low	31.5	Very low	100 Å²	100	130.8 Å²	130.8	83%	0.826	69%	0.688	S	S	*	*			trans	-68.3	102.5	155.1	0	0	0	0	0	106.8	S156 L160	S156-A158 PolarHBondContact O-N 3.43Å; A158-L160 PolarHBondContact O-N 2.9Å
159	Q	30.3	Very low	31.8	Very low	142 Å²	142	130.5 Å²	130.5	66%	0.664	70%	0.695	S	S	*	*			trans	-69.2	119.9	172.5	-164.8	171.1	-4.8	0	0	107.4	M157 D161 E162	M157-Q159 PolarHBondContact O-N 3.31Å; M157-Q159 VanDerWaalsContact O-N 3.11Å; Q159-D161 PolarHBondContact O-N 3.37Å; Q159-E162 PolarHBondContact NE2-OE1 2.87Å
160	L	34.3	Very low	32.6	Very low	92 Å²	92	124.3 Å²	124.3	48%	0.482	68%	0.679	S	S	.	*			trans	-59	130.1	167.7	-78.6	148.1	0	0	0	107.8	A158 E162 F190	A158-L160 PolarHBondContact O-N 2.9Å; L160-E162 PolarHBondContact O-N 3.2Å; L160-E162 VanDerWaalsContact O-N 3.14Å; L160-F190 HydrophobicContact CD2-CE1 3.71Å; L160-F190 HydrophobicContact CD2-CE2 4.3Å; L160-F190 HydrophobicContact CD2-CZ 3.39Å
161	D	34	Very low	33.3	Very low	150 Å²	150	123.9 Å²	123.9	80%	0.802	67%	0.672	S	S	*	*			trans	-45.5	122.8	175.2	-90.2	-30.7	0	0	0	110.4	Q159 G163	Q159-D161 PolarHBondContact O-N 3.37Å; D161-G163 PolarHBondContact O-N 3.04Å
162	E	34.6	Very low	34.4	Very low	168 Å²	168	114.8 Å²	114.8	79%	0.785	63%	0.633	S	S	*	*	S	Bend	trans	-69.2	12.9	-174.7	-71	-174.6	159.1	0	0	113.9	Q159 L160	Q159-E162 PolarHBondContact NE2-OE1 2.87Å; L160-E162 PolarHBondContact O-N 3.2Å; L160-E162 VanDerWaalsContact O-N 3.14Å
163	G	33.6	Very low	35.4	Very low	51 Å²	51	117.8 Å²	117.8	53%	0.526	64%	0.636	S	S	.	*	S	Bend	trans	-93.2	106.8	175.9	0	0	0	0	0	112.6	D161	D161-G163 PolarHBondContact O-N 3.04Å
164	Q	41.5	Very low	36.4	Very low	172 Å²	172	114.3 Å²	114.3	80%	0.804	61%	0.613	S	S	*	*	S	Bend	trans	88	-3.4	161	-55.1	-171.1	-10.3	0	0	121.1	R166	Q164-R166 PolarHBondContact O-N 2.91Å
165	V	40.1	Very low	37.3	Very low	58 Å²	58	110.3 Å²	110.3	35%	0.352	59%	0.592	S	S	.	*			trans	-76.7	99.1	178.2	-175.6	0	0	0	0	110.8	I168	V165-I168 HydrophobicContact CG1-CG1 3.93Å
166	R	41.3	Very low	38	Very low	229 Å²	229	107.7 Å²	107.7	86%	0.864	57%	0.569	S	S	*	*			trans	-80.1	-31.2	-176.7	-74.2	-172.6	174	-175.4	-1.1	114.3	Q164	Q164-R166 PolarHBondContact O-N 2.91Å
167	R	38.3	Very low	38.6	Very low	171 Å²	171	107.4 Å²	107.4	65%	0.645	55%	0.553	S	S	*	*			trans	-173.6	123.6	176.6	-166.7	174.9	-178.4	171.4	0.6	110.3	S182 S183	R167-S182 CarbonylContact O-C 3.47Å; R167-S182 VanDerWaalsContact O-CA 3.31Å; R167-S182 WeakPolarHBondContact O-CA 3.38Å; R167-S182 PolarHBondContact O-OG 3.48Å; R167-S183 WeakPolarHBondContact CB-OG 3.33Å; R167-S183 PolarHBondContact N-OG 3.42Å; R167-S183 PolarHBondContact O-N 3.2Å; R167-S183 PolarHBondContact O-OG 2.98Å
168	I	40.8	Very low	39.2	Very low	78 Å²	78	101.8 Å²	101.8	40%	0.4	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.3	168.4	-59.3	174	0	0	0	108.1	V165 C170 V171 G181	V165-I168 HydrophobicContact CG1-CG1 3.93Å; I168-C170 WeakPolarHBondContact CG2-O 3.29Å; I168-V171 HydrophobicContact CG2-CG2 3.5Å; I168-G181 CarbonylContact C-O 3.57Å
169	S	41.1	Very low	39.6	Very low	89 Å²	89	97.5 Å²	97.5	62%	0.622	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	-27	-177.1	52.5	0	0	0	0	113.5	G181	S169-G181 PolarHBondContact N-O 3.47Å; S169-G181 PolarHBondContact OG-O 3.33Å
170	C	42.7	Very low	40.2	Very low	54 Å²	54	91.2 Å²	91.2	37%	0.365	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	148.4	175.6	56.2	0	0	0	0	110.2	I168 S180 G181	I168-C170 WeakPolarHBondContact CG2-O 3.29Å; C170-S180 CarbonylContact O-C 3.53Å; C170-S180 VanDerWaalsContact O-CA 3.3Å; C170-S180 WeakPolarHBondContact O-CA 3.24Å; C170-G181 PolarHBondContact N-O 2.81Å; C170-G181 PolarHBondContact O-N 2.88Å
171	V	41.2	Very low	40.5	Very low	89 Å²	89	87 Å²	87	54%	0.539	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	133.4	170.8	179.8	0	0	0	0	107.2	I168 I178 V179	I168-V171 HydrophobicContact CG2-CG2 3.5Å; V171-I178 HydrophobicContact CG1-CG2 3.78Å; V171-V179 CarbonylContact C-O 3.5Å; V171-V179 VanDerWaalsContact CA-O 3.3Å; V171-V179 WeakPolarHBondContact CA-O 3.31Å
172	Q	48.5	Very low	41.1	Very low	33 Å²	33	80.5 Å²	80.5	15%	0.154	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.6	175.2	-171	160.3	11.6	0	0	107.9	I178 V179 L220 S221	Q172-I178 CarbonylContact O-C 3.51Å; Q172-I178 WeakPolarHBondContact O-CA 3.47Å; Q172-V179 PolarHBondContact N-O 3.22Å; Q172-V179 PolarHBondContact O-N 3.23Å; Q172-L220 VanDerWaalsContact NE2-C 3.3Å; Q172-L220 PolarHBondContact NE2-O 2.98Å; Q172-L220 VanDerWaalsContact OE1-N 3.11Å; Q172-S221 PolarHBondContact NE2-OG 3.39Å
173	F	45.8	Very low	41.6	Very low	98 Å²	98	75.7 Å²	75.7	43%	0.43	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154.3	174.3	67.2	-86.9	0	0	0	110.9	Y177 I178	F173-Y177 CarbonylContact C-O 3.51Å; F173-Y177 WeakPolarHBondContact CA-O 3.36Å; F173-Y177 VanDerWaalsContact CB-O 3.25Å; F173-Y177 WeakPolarHBondContact CB-O 3.15Å; F173-I178 HydrophobicContact CB-CG1 3.99Å
174	D	45.7	Very low	42.2	Very low	59 Å²	59	75.5 Å²	75.5	32%	0.316	38%	0.378	S	S	.	.			trans	-124	-163.7	163.6	72.5	3	0	0	0	109.2	N176 Y177 I192	D174-N176 PolarHBondContact O-N 3.16Å; D174-N176 VanDerWaalsContact O-N 3.16Å; D174-N176 WeakPolarHBondContact OD1-CA 3.37Å; D174-N176 PolarHBondContact OD1-N 2.83Å; D174-Y177 PolarHBondContact N-O 3.09Å; D174-Y177 WeakPolarHBondContact OD1-CD2 3.23Å; D174-Y177 PolarHBondContact OD1-N 3.41Å; D174-I192 WeakPolarHBondContact O-CD1 3.3Å
175	D	43.1	Very low	42.4	Very low	86 Å²	86	73.8 Å²	73.8	46%	0.46	37%	0.368	S	S	.	.	S	Bend	trans	-63.9	-16.8	179.5	-63.1	-30.8	0	0	0	113.7	K131	K131-D175 WeakPolarHBondContact CD-OD2 3.39Å; K131-D175 WeakPolarHBondContact CE-OD2 3.41Å; K131-D175 IonicContact NZ-OD2 2.72Å; K131-D175 PolarHBondContact NZ-OD2 2.82Å
176	N	37.7	Very low	42	Very low	51 Å²	51	75.6 Å²	75.6	27%	0.273	37%	0.374	S	S	.	.	S	Bend	trans	-125	-23.7	-169.1	-67.9	-30.8	0	0	0	113.9	D174 L191 I192	D174-N176 PolarHBondContact O-N 3.16Å; D174-N176 VanDerWaalsContact O-N 3.16Å; D174-N176 WeakPolarHBondContact OD1-CA 3.37Å; D174-N176 PolarHBondContact OD1-N 2.83Å; N176-L191 CarbonylContact O-C 3.5Å; N176-L191 WeakPolarHBondContact O-CA 3.13Å; N176-I192 PolarHBondContact O-N 2.52Å
177	Y	39.3	Very low	42.1	Very low	99 Å²	99	68.4 Å²	68.4	39%	0.388	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	142.6	-169.1	-58.4	-78.5	0	0	0	112	F173 D174 V189 F190 L191	F173-Y177 CarbonylContact C-O 3.51Å; F173-Y177 WeakPolarHBondContact CA-O 3.36Å; F173-Y177 VanDerWaalsContact CB-O 3.25Å; F173-Y177 WeakPolarHBondContact CB-O 3.15Å; D174-Y177 PolarHBondContact N-O 3.09Å; D174-Y177 WeakPolarHBondContact OD1-CD2 3.23Å; D174-Y177 PolarHBondContact OD1-N 3.41Å; Y177-V189 HydrophobicContact CD1-CG1 3.64Å; Y177-V189 HydrophobicContact CE1-CG1 4.43Å; Y177-V189 HydrophobicContact CG-CG1 4.28Å; Y177-F190 CarbonylContact C-O 3.47Å; Y177-F190 WeakPolarHBondContact CA-O 3.06Å; Y177-L191 HydrophobicContact CD1-CD1 3.91Å; Y177-L191 HydrophobicContact CE1-CD1 3.34Å
178	I	36.7	Very low	42.1	Very low	68 Å²	68	63.5 Å²	63.5	35%	0.349	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.5	159.7	-61	168.9	0	0	0	106.4	V171 Q172 F173 V189 F190 I192	V171-I178 HydrophobicContact CG1-CG2 3.78Å; Q172-I178 CarbonylContact O-C 3.51Å; Q172-I178 WeakPolarHBondContact O-CA 3.47Å; F173-I178 HydrophobicContact CB-CG1 3.99Å; I178-V189 CarbonylContact O-C 3.51Å; I178-V189 WeakPolarHBondContact O-CA 3.49Å; I178-F190 HydrophobicContact CB-CB 4.3Å; I178-F190 HydrophobicContact CG2-CD2 4.48Å; I178-F190 PolarHBondContact N-O 2.93Å; I178-F190 PolarHBondContact O-N 3.47Å; I178-I192 HydrophobicContact CD1-CG1 4.21Å; I178-I192 HydrophobicContact CG1-CD1 3.89Å; I178-I192 HydrophobicContact CG1-CG1 3.84Å
179	V	41	Very low	41.9	Very low	10 Å²	10	63.7 Å²	63.7	6%	0.061	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.2	173.2	-157.8	0	0	0	0	109.5	V171 Q172 I187 K188 V189 M218 L220	V171-V179 CarbonylContact C-O 3.5Å; V171-V179 VanDerWaalsContact CA-O 3.3Å; V171-V179 WeakPolarHBondContact CA-O 3.31Å; Q172-V179 PolarHBondContact N-O 3.22Å; Q172-V179 PolarHBondContact O-N 3.23Å; V179-I187 HydrophobicContact CG1-CG2 3.69Å; V179-K188 WeakPolarHBondContact CA-O 3.16Å; V179-V189 HydrophobicContact CG1-CG2 3.72Å; V179-V189 HydrophobicContact CG2-CG1 4.4Å; V179-V189 HydrophobicContact CG2-CG2 4.17Å; V179-M218 HydrophobicContact CB-SD 3.99Å; V179-M218 HydrophobicContact CG1-CE 4Å; V179-M218 HydrophobicContact CG1-SD 3.09Å; V179-M218 WeakPolarHBondContact CG1-SD 3.19Å; V179-L220 HydrophobicContact CG2-CD1 4.25Å
180	S	42.2	Very low	41.5	Very low	10 Å²	10	63 Å²	63	7%	0.07	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.2	176.1	64	0	0	0	0	110.2	C170 I187 K188	C170-S180 CarbonylContact O-C 3.53Å; C170-S180 VanDerWaalsContact O-CA 3.3Å; C170-S180 WeakPolarHBondContact O-CA 3.24Å; S180-I187 WeakPolarHBondContact O-CA 3.35Å; S180-K188 PolarHBondContact N-O 3.36Å; S180-K188 PolarHBondContact O-N 2.94Å; S180-K188 PolarHBondContact OG-O 3.26Å
181	G	41.7	Very low	41	Very low	5 Å²	5	65.4 Å²	65.4	5%	0.052	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.3	166	0	0	0	0	0	109.1	I168 S169 C170	I168-G181 CarbonylContact C-O 3.57Å; S169-G181 PolarHBondContact N-O 3.47Å; S169-G181 PolarHBondContact OG-O 3.33Å; C170-G181 PolarHBondContact N-O 2.81Å; C170-G181 PolarHBondContact O-N 2.88Å
182	S	47.2	Very low	40.9	Very low	13 Å²	13	64.9 Å²	64.9	9%	0.091	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	153.7	178.9	171	0	0	0	0	111.4	R167 D184 K185 M186	R167-S182 CarbonylContact O-C 3.47Å; R167-S182 VanDerWaalsContact O-CA 3.31Å; R167-S182 WeakPolarHBondContact O-CA 3.38Å; R167-S182 PolarHBondContact O-OG 3.48Å; S182-D184 WeakPolarHBondContact CB-OD1 3.41Å; S182-D184 WeakPolarHBondContact CB-OD2 3.28Å; S182-D184 PolarHBondContact O-N 3.47Å; S182-D184 VanDerWaalsContact O-N 3.08Å; S182-D184 PolarHBondContact OG-OD1 2.93Å; S182-D184 PolarHBondContact OG-OD2 2.85Å; S182-K185 PolarHBondContact O-N 3.24Å; S182-M186 PolarHBondContact N-O 3.36Å
183	S	45	Very low	40	Very low	66 Å²	66	68.4 Å²	68.4	46%	0.462	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-9.8	176.1	57.5	0	0	0	0	114.3	R167 K185	R167-S183 WeakPolarHBondContact CB-OG 3.33Å; R167-S183 PolarHBondContact N-OG 3.42Å; R167-S183 PolarHBondContact O-N 3.2Å; R167-S183 PolarHBondContact O-OG 2.98Å; S183-K185 PolarHBondContact O-N 3.48Å
184	D	44.7	Very low	39	Very low	47 Å²	47	70.2 Å²	70.2	25%	0.251	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	9.5	173.4	57.3	19.2	0	0	0	113.6	S182 M186	S182-D184 WeakPolarHBondContact CB-OD1 3.41Å; S182-D184 WeakPolarHBondContact CB-OD2 3.28Å; S182-D184 PolarHBondContact O-N 3.47Å; S182-D184 VanDerWaalsContact O-N 3.08Å; S182-D184 PolarHBondContact OG-OD1 2.93Å; S182-D184 PolarHBondContact OG-OD2 2.85Å; D184-M186 PolarHBondContact O-N 3.02Å; D184-M186 WeakPolarHBondContact OD1-CB 3.49Å; D184-M186 PolarHBondContact OD1-N 3.44Å
185	K	46.7	Very low	38	Very low	136 Å²	136	74.5 Å²	74.5	59%	0.591	39%	0.388	S	S	*	.	S	Bend	trans	67	15.4	-176.1	-49	177.7	178.9	-178	0	113.6	S182 S183	S182-K185 PolarHBondContact O-N 3.24Å; S183-K185 PolarHBondContact O-N 3.48Å
186	M	32.5	Very low	37	Very low	96 Å²	96	74.4 Å²	74.4	47%	0.473	40%	0.398	S	S	.	.			trans	-102.4	138.7	177.7	-60.8	-72	-77.1	0	0	111.6	S182 D184	S182-M186 PolarHBondContact N-O 3.36Å; D184-M186 PolarHBondContact O-N 3.02Å; D184-M186 WeakPolarHBondContact OD1-CB 3.49Å; D184-M186 PolarHBondContact OD1-N 3.44Å
187	I	42	Very low	36.4	Very low	79 Å²	79	80 Å²	80	41%	0.405	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.5	163.8	-61.6	-179.1	0	0	0	107	V179 S180 V189 V217 M218	V179-I187 HydrophobicContact CG1-CG2 3.69Å; S180-I187 WeakPolarHBondContact O-CA 3.35Å; I187-V189 HydrophobicContact CG2-CG2 4.49Å; I187-V217 HydrophobicContact CD1-CB 3.92Å; I187-V217 HydrophobicContact CD1-CG1 3.66Å; I187-M218 HydrophobicContact CB-CE 4.02Å; I187-M218 HydrophobicContact CD1-CE 3.77Å; I187-M218 HydrophobicContact CD1-CG 4Å; I187-M218 HydrophobicContact CD1-SD 4.07Å; I187-M218 HydrophobicContact CG1-CE 3.55Å; I187-M218 HydrophobicContact CG1-SD 4.34Å; I187-M218 HydrophobicContact CG2-CE 3.54Å; I187-M218 HydrophobicContact CG2-SD 3.54Å; I187-M218 VanDerWaalsContact CG2-SD 3.54Å
188	K	39	Very low	35.7	Very low	68 Å²	68	79.4 Å²	79.4	30%	0.296	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.7	175.5	-61.9	-174.9	180	-177.4	0	109.3	V179 S180 F190	V179-K188 WeakPolarHBondContact CA-O 3.16Å; S180-K188 PolarHBondContact N-O 3.36Å; S180-K188 PolarHBondContact O-N 2.94Å; S180-K188 PolarHBondContact OG-O 3.26Å; K188-F190 HydrophobicContact CB-CD2 4.45Å; K188-F190 HydrophobicContact CB-CE2 3.53Å; K188-F190 HydrophobicContact CB-CZ 3.59Å; K188-F190 HydrophobicContact CD-CZ 3.91Å; K188-F190 HydrophobicContact CG-CZ 4.37Å
189	V	36.7	Very low	35.6	Very low	82 Å²	82	80.7 Å²	80.7	50%	0.497	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.7	173.5	-179.6	0	0	0	0	107.9	Y177 I178 V179 I187	Y177-V189 HydrophobicContact CD1-CG1 3.64Å; Y177-V189 HydrophobicContact CE1-CG1 4.43Å; Y177-V189 HydrophobicContact CG-CG1 4.28Å; I178-V189 CarbonylContact O-C 3.51Å; I178-V189 WeakPolarHBondContact O-CA 3.49Å; V179-V189 HydrophobicContact CG1-CG2 3.72Å; V179-V189 HydrophobicContact CG2-CG1 4.4Å; V179-V189 HydrophobicContact CG2-CG2 4.17Å; I187-V189 HydrophobicContact CG2-CG2 4.49Å
190	F	32.8	Very low	34.9	Very low	74 Å²	74	90.4 Å²	90.4	33%	0.325	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.2	178.1	-56.4	-84.9	0	0	0	109.4	L160 Y177 I178 K188	L160-F190 HydrophobicContact CD2-CE1 3.71Å; L160-F190 HydrophobicContact CD2-CE2 4.3Å; L160-F190 HydrophobicContact CD2-CZ 3.39Å; Y177-F190 CarbonylContact C-O 3.47Å; Y177-F190 WeakPolarHBondContact CA-O 3.06Å; I178-F190 HydrophobicContact CB-CB 4.3Å; I178-F190 HydrophobicContact CG2-CD2 4.48Å; I178-F190 PolarHBondContact N-O 2.93Å; I178-F190 PolarHBondContact O-N 3.47Å; K188-F190 HydrophobicContact CB-CD2 4.45Å; K188-F190 HydrophobicContact CB-CE2 3.53Å; K188-F190 HydrophobicContact CB-CZ 3.59Å; K188-F190 HydrophobicContact CD-CZ 3.91Å; K188-F190 HydrophobicContact CG-CZ 4.37Å
191	L	31.7	Very low	34	Very low	105 Å²	105	97.1 Å²	97.1	55%	0.55	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	136	173.7	-157.9	83.9	0	0	0	109.7	N176 Y177 L193	N176-L191 CarbonylContact O-C 3.5Å; N176-L191 WeakPolarHBondContact O-CA 3.13Å; Y177-L191 HydrophobicContact CD1-CD1 3.91Å; Y177-L191 HydrophobicContact CE1-CD1 3.34Å; L191-L193 VanDerWaalsContact C-N 3.33Å; L191-L193 HydrophobicContact CD2-CB 4.41Å; L191-L193 PolarHBondContact O-N 3.28Å
192	I	38.4	Very low	33.3	Very low	78 Å²	78	102.5 Å²	102.5	40%	0.4	56%	0.563	S	S	.	*	S	Bend	trans	-79.7	-12.4	-177.4	-68.9	174.8	0	0	0	112.8	D174 N176 I178 V194	D174-I192 WeakPolarHBondContact O-CD1 3.3Å; N176-I192 PolarHBondContact O-N 2.52Å; I178-I192 HydrophobicContact CD1-CG1 4.21Å; I178-I192 HydrophobicContact CG1-CD1 3.89Å; I178-I192 HydrophobicContact CG1-CG1 3.84Å; I192-V194 PolarHBondContact O-N 3.09Å
193	L	30.2	Very low	32.1	Very low	106 Å²	106	111.3 Å²	111.3	56%	0.555	60%	0.599	S	S	*	*			trans	-98.3	92.4	-177.4	-89.6	146.1	0	0	0	112.9	L191 I195	L191-L193 VanDerWaalsContact C-N 3.33Å; L191-L193 HydrophobicContact CD2-CB 4.41Å; L191-L193 PolarHBondContact O-N 3.28Å; L193-I195 PolarHBondContact O-N 3.37Å
194	V	25	Very low	31.2	Very low	137 Å²	137	115.8 Å²	115.8	83%	0.83	61%	0.611	S	S	*	*			trans	-81.7	88.4	157.1	179.8	0	0	0	0	107.6	I192	I192-V194 PolarHBondContact O-N 3.09Å
195	I	23.7	Very low	30.2	Very low	149 Å²	149	121.2 Å²	121.2	76%	0.764	64%	0.635	S	S	*	*	S	Bend	trans	178.1	121.9	145	-84.4	150.5	0	0	0	106.4	L193	L193-I195 PolarHBondContact O-N 3.37Å
196	A	23.5	Very low	29.3	Very low	83 Å²	83	120.2 Å²	120.2	69%	0.686	64%	0.64	S	S	*	*	S	Bend	trans	83.6	104	164.4	0	0	0	0	0	120.2
197	I	23.6	Very low	29	Very low	169 Å²	169	122.4 Å²	122.4	87%	0.867	64%	0.643	S	S	*	*			trans	84.3	104.4	142.1	-48.1	158.4	0	0	0	117.5
198	A	25.2	Very low	28.5	Very low	86 Å²	86	122.7 Å²	122.7	71%	0.711	65%	0.645	S	S	*	*			trans	-83.2	174.2	158.2	0	0	0	0	0	110.5
199	P	34.5	Very low	28	Very low	95 Å²	95	126.5 Å²	126.5	62%	0.617	67%	0.668	S	S	*	*			cis	-128.9	-179.1	-14	26.5	-3.2	0	0	0	111.7
200	Y	26.4	Very low	27.5	Very low	214 Å²	214	133.9 Å²	133.9	84%	0.839	69%	0.686	S	S	*	*			trans	163.7	112.1	135.7	-80.1	-60.8	0	0	0	111.3
201	N	24.4	Very low	27.7	Very low	151 Å²	151	133.9 Å²	133.9	81%	0.807	69%	0.692	S	S	*	*			trans	27.2	112.9	154.2	-67.6	-16.6	0	0	0	120
202	C	27.2	Very low	27.5	Very low	119 Å²	119	136 Å²	136	80%	0.804	70%	0.704	S	S	*	*			trans	-153.4	113.4	130.5	-89.2	0	0	0	0	109.3	F204	C202-F204 HydrophobicContact CB-CE2 4.36Å
203	K	21.8	Very low	27	Very low	197 Å²	197	138.4 Å²	138.4	86%	0.857	72%	0.718	S	S	*	*			trans	-75.5	131.7	172	-75.1	176.2	174.9	177.4	0	108.9
204	F	25.9	Very low	26.9	Very low	161 Å²	161	140.6 Å²	140.6	71%	0.706	73%	0.725	S	S	*	*			trans	-135.7	110.2	151.2	-71.4	-78.6	0	0	0	109.7	C202	C202-F204 HydrophobicContact CB-CE2 4.36Å
205	Q	23.8	Very low	27.1	Very low	160 Å²	160	137.7 Å²	137.7	75%	0.748	71%	0.705	S	S	*	*			trans	-115.8	127.8	167.1	-79	-177.8	-23.5	0	0	106.3
206	V	27.8	Very low	27.4	Very low	116 Å²	116	133 Å²	133	70%	0.703	69%	0.688	S	S	*	*			trans	-123.7	110.3	165.6	-175.8	0	0	0	0	107.8
207	W	26.5	Very low	27.8	Very low	141 Å²	141	132.1 Å²	132.1	53%	0.534	67%	0.674	S	S	.	*			trans	-118.1	134.1	174.7	-72.7	72.4	0	0	0	108.4	I209	W207-I209 HydrophobicContact CB-CD1 4.31Å; W207-I209 HydrophobicContact CB-CG1 3.68Å
208	D	29.9	Very low	28.2	Very low	85 Å²	85	126 Å²	126	46%	0.455	64%	0.642	S	S	.	*			trans	-87.3	104.7	156.7	-174.8	-9.6	0	0	0	108.1	R210 T211 L215	D208-R210 VanDerWaalsContact C-N 3.34Å; D208-R210 PolarHBondContact OD1-N 3.24Å; D208-R210 VanDerWaalsContact OD1-N 3.14Å; D208-T211 PolarHBondContact OD2-OG1 3.02Å; D208-L215 HydrophobicContact CB-CD1 3.33Å
209	I	29.6	Very low	28.6	Very low	149 Å²	149	122.8 Å²	122.8	76%	0.764	61%	0.614	S	S	*	*			trans	-93.9	12.3	-170.7	-26.9	171.8	0	0	0	111.5	W207	W207-I209 HydrophobicContact CB-CD1 4.31Å; W207-I209 HydrophobicContact CB-CG1 3.68Å
210	R	26.1	Very low	28.3	Very low	237 Å²	237	122.8 Å²	122.8	89%	0.894	61%	0.608	S	S	*	*	S	Bend	trans	-112.8	-14.5	-177.8	-85.5	-178.1	66.4	123.1	-1.9	116.7	D208	D208-R210 VanDerWaalsContact C-N 3.34Å; D208-R210 PolarHBondContact OD1-N 3.24Å; D208-R210 VanDerWaalsContact OD1-N 3.14Å
211	T	36.3	Very low	28.6	Very low	73 Å²	73	113.2 Å²	113.2	45%	0.448	57%	0.572	S	S	.	*	S	Bend	trans	-119	-7.4	-164.4	55.9	0	0	0	0	116.7	D208 N213	D208-T211 PolarHBondContact OD2-OG1 3.02Å; T211-N213 PolarHBondContact O-N 3.22Å
212	N	28.9	Very low	28.7	Very low	150 Å²	150	108.6 Å²	108.6	80%	0.802	56%	0.561	S	S	*	*			trans	47	27.2	175.5	-149.4	20.2	0	0	0	115.9
213	N	27.4	Very low	28.7	Very low	129 Å²	129	109 Å²	109	69%	0.69	55%	0.55	S	S	*	*	S	Bend	trans	-117.8	146.7	177.4	-84.8	-33.7	0	0	0	110.6	T211 L215	T211-N213 PolarHBondContact O-N 3.22Å; N213-L215 PolarHBondContact O-N 3.38Å
214	H	27.8	Very low	29	Very low	151 Å²	151	103.4 Å²	103.4	70%	0.699	54%	0.536	S	S	*	.			trans	-56.7	104.2	-175.4	-73.2	-90.8	0	0	0	112.3	Y237	H214-Y237 WeakPolarHBondContact O-CD2 3.48Å
215	L	28.3	Very low	29.1	Very low	77 Å²	77	103.8 Å²	103.8	40%	0.403	54%	0.539	S	S	.	.			trans	-90.8	108.8	165.1	-82.6	155.6	0	0	0	108.5	D208 N213 V217	D208-L215 HydrophobicContact CB-CD1 3.33Å; N213-L215 PolarHBondContact O-N 3.38Å; L215-V217 PolarHBondContact O-N 2.95Å
216	A	31.4	Very low	29.2	Very low	50 Å²	50	100.6 Å²	100.6	41%	0.413	53%	0.531	S	S	.	.			trans	-77.2	101.8	163.6	0	0	0	0	0	108.3	Y237	A216-Y237 HydrophobicContact CB-CD2 4.28Å; A216-Y237 HydrophobicContact CB-CE2 3.6Å
217	V	30.8	Very low	29.2	Very low	65 Å²	65	102.6 Å²	102.6	39%	0.394	54%	0.535	S	S	.	.			trans	-91.3	118.9	164.6	176.5	0	0	0	0	107.6	I187 L215	I187-V217 HydrophobicContact CD1-CB 3.92Å; I187-V217 HydrophobicContact CD1-CG1 3.66Å; L215-V217 PolarHBondContact O-N 2.95Å
218	M	33.2	Very low	29.9	Very low	40 Å²	40	100 Å²	100	20%	0.197	53%	0.532	C	S	.	.				170.5	125.6	123.6	-101.4	-179.8	-65.6	0	0	112.7	V179 I187	V179-M218 HydrophobicContact CB-SD 3.99Å; V179-M218 HydrophobicContact CG1-CE 4Å; V179-M218 HydrophobicContact CG1-SD 3.09Å; V179-M218 WeakPolarHBondContact CG1-SD 3.19Å; I187-M218 HydrophobicContact CB-CE 4.02Å; I187-M218 HydrophobicContact CD1-CE 3.77Å; I187-M218 HydrophobicContact CD1-CG 4Å; I187-M218 HydrophobicContact CD1-SD 4.07Å; I187-M218 HydrophobicContact CG1-CE 3.55Å; I187-M218 HydrophobicContact CG1-SD 4.34Å; I187-M218 HydrophobicContact CG2-CE 3.54Å; I187-M218 HydrophobicContact CG2-SD 3.54Å; I187-M218 VanDerWaalsContact CG2-SD 3.54Å
219	T	32.3	Very low	31	Very low	18 Å²	18	103.1 Å²	103.1	11%	0.11	55%	0.548	C	S	.	.			trans	-136.2	114.2	135.5	-59.1	0	0	0	0	107.7	L265 Q266	T219-L265 HydrophobicContact CG2-CD1 4.07Å; T219-L265 VanDerWaalsContact CG2-O 3.3Å; T219-L265 WeakPolarHBondContact CG2-O 3.12Å; T219-L265 WeakPolarHBondContact OG1-CG 3.42Å; T219-L265 PolarHBondContact OG1-O 3.42Å; T219-Q266 VanDerWaalsContact CG2-NE2 3.28Å
220	L	29.4	Very low	32.8	Very low	96 Å²	96	100.8 Å²	100.8	50%	0.503	53%	0.534	S	S	.	.			trans	-109.1	86.3	165.1	-80.7	163.2	0	0	0	106.5	Q172 V179	Q172-L220 VanDerWaalsContact NE2-C 3.3Å; Q172-L220 PolarHBondContact NE2-O 2.98Å; Q172-L220 VanDerWaalsContact OE1-N 3.11Å; V179-L220 HydrophobicContact CG2-CD1 4.25Å
221	S	31.8	Very low	34.7	Very low	13 Å²	13	92.8 Å²	92.8	9%	0.091	51%	0.505	C	S	.	.			trans	-158.5	107.8	158.4	53.1	0	0	0	0	111.4	Q172 Q266	Q172-S221 PolarHBondContact NE2-OG 3.39Å; S221-Q266 VanDerWaalsContact OG-CD 3.22Å; S221-Q266 PolarHBondContact OG-NE2 3.47Å; S221-Q266 PolarHBondContact OG-OE1 2.95Å
222	G	26.8	Very low	36.1	Very low	54 Å²	54	92 Å²	92	56%	0.557	50%	0.498	S	S	*	.			trans	-100.4	106.9	142.5	0	0	0	0	0	107
223	H	27.2	Very low	37.9	Very low	127 Å²	127	84.9 Å²	84.9	59%	0.588	46%	0.46	S	S	*	.			trans	-89.7	103.1	163.3	-79.6	33.8	0	0	0	107.2
224	S	27	Very low	39.8	Very low	79 Å²	79	80.1 Å²	80.1	55%	0.552	44%	0.437	S	S	*	.	S	Bend	trans	142.9	114.9	154	-169	0	0	0	0	111.6	T226 Q269	S224-T226 PolarHBondContact O-N 2.89Å; S224-Q269 PolarHBondContact O-NE2 2.92Å
225	H	29.9	Very low	41.6	Very low	169 Å²	169	73.3 Å²	73.3	78%	0.782	41%	0.408	S	S	*	.			trans	-63.6	114.9	177.2	-99.2	-89.8	0	0	0	111.7
226	T	24.7	Very low	43.5	Very low	94 Å²	94	70.1 Å²	70.1	58%	0.577	39%	0.392	S	S	*	.	S	Bend	trans	-180	86.8	133.7	49.8	0	0	0	0	109.5	S224 Q269	S224-T226 PolarHBondContact O-N 2.89Å; T226-Q269 VanDerWaalsContact C-NE2 3.35Å; T226-Q269 PolarHBondContact O-NE2 3.41Å; T226-Q269 PolarHBondContact O-OE1 3.25Å; T226-Q269 PolarHBondContact OG1-NE2 3.01Å; T226-Q269 VanDerWaalsContact OG1-NE2 3.09Å; T226-Q269 PolarHBondContact OG1-OE1 3.28Å
227	M	28.5	Very low	45.5	Very low	158 Å²	158	73.8 Å²	73.8	78%	0.778	40%	0.396	S	S	*	.	S	Bend	trans	71.1	123.7	168.6	-41.4	-73.5	-108.1	0	0	115.6	Q269	M227-Q269 VanDerWaalsContact O-CG 3.29Å; M227-Q269 WeakPolarHBondContact O-CG 3.22Å
228	D	41.4	Very low	47.6	Very low	87 Å²	87	74.3 Å²	74.3	47%	0.465	40%	0.396	S	S	.	.			cis	-123.2	121.8	17.8	-71.7	-29.1	0	0	0	111.3	E230 K231	D228-E230 PolarHBondContact O-N 2.97Å; D228-K231 IonicContact OD2-NZ 2.68Å; D228-K231 PolarHBondContact OD2-NZ 3.28Å
229	D	52.9	Low	50	Low	149 Å²	149	79.1 Å²	79.1	80%	0.797	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	12.3	169.5	-78.6	-31.3	0	0	0	113.3	L246	D229-L246 WeakPolarHBondContact O-CD1 3.31Å
230	E	66.6	Low	52.2	Low	101 Å²	101	78.7 Å²	78.7	47%	0.472	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	0.4	-166.1	-59.7	-172.7	161.8	0	0	113.9	D228 D245 L246 V247	D228-E230 PolarHBondContact O-N 2.97Å; E230-D245 CarbonylContact O-C 3.59Å; E230-D245 WeakPolarHBondContact O-CA 3.24Å; E230-L246 WeakPolarHBondContact O-CB 3.36Å; E230-L246 PolarHBondContact O-N 3.39Å; E230-V247 HydrophobicContact CB-CG2 4.16Å; E230-V247 HydrophobicContact CG-CG2 3.75Å
231	K	65.8	Low	54.8	Low	68 Å²	68	74.2 Å²	74.2	30%	0.296	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.3	-175.8	-68.6	171.7	-175.1	144.2	0	113.3	D228 W244	D228-K231 IonicContact OD2-NZ 2.68Å; D228-K231 PolarHBondContact OD2-NZ 3.28Å; K231-W244 CarbonylContact C-O 3.58Å; K231-W244 VanDerWaalsContact CA-O 3.26Å; K231-W244 WeakPolarHBondContact CA-O 3.48Å
232	I	65.1	Low	56.8	Low	57 Å²	57	76.1 Å²	76.1	29%	0.292	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.6	167.7	-74	-178.3	0	0	0	109.3	V243 W244 L246	I232-V243 CarbonylContact O-C 3.54Å; I232-V243 WeakPolarHBondContact O-CA 3.34Å; I232-W244 HydrophobicContact CB-CB 4.22Å; I232-W244 PolarHBondContact N-O 2.74Å; I232-W244 PolarHBondContact O-N 2.55Å; I232-L246 HydrophobicContact CD1-CD1 4.26Å; I232-L246 HydrophobicContact CD1-CD2 3.3Å; I232-L246 HydrophobicContact CD1-CG 3.95Å; I232-L246 HydrophobicContact CG1-CD1 3.93Å; I232-L246 HydrophobicContact CG1-CD2 3.76Å; I232-L246 HydrophobicContact CG1-CG 3.8Å
233	I	68.4	Low	59.2	Low	1 Å²	1	73.6 Å²	73.6	1%	0.005	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.1	169.8	-62.8	126.3	0	0	0	110.1	L241 K242 V243 L265 F267 I272 L286	I233-L241 HydrophobicContact CG2-CD2 4.15Å; I233-K242 WeakPolarHBondContact CA-O 3.5Å; I233-V243 HydrophobicContact CG1-CG1 4.48Å; I233-V243 HydrophobicContact CG1-CG2 4.19Å; I233-L265 HydrophobicContact CB-CD1 4.26Å; I233-L265 HydrophobicContact CG2-CD1 4Å; I233-L265 HydrophobicContact CG2-CD2 4.12Å; I233-F267 HydrophobicContact CB-CD1 4.37Å; I233-F267 HydrophobicContact CD1-CB 3.51Å; I233-F267 HydrophobicContact CD1-CD1 3.48Å; I233-F267 VanDerWaalsContact CD1-CD1 3.48Å; I233-F267 HydrophobicContact CD1-CD2 3.48Å; I233-F267 VanDerWaalsContact CD1-CD2 3.48Å; I233-F267 HydrophobicContact CD1-CE1 4Å; I233-F267 HydrophobicContact CD1-CE2 3.99Å; I233-F267 HydrophobicContact CD1-CG 3.2Å; I233-F267 HydrophobicContact CD1-CZ 4.23Å; I233-I272 HydrophobicContact CD1-CD1 3.97Å; I233-I272 HydrophobicContact CD1-CG1 3.82Å; I233-I272 HydrophobicContact CG1-CD1 3.88Å; I233-I272 HydrophobicContact CG1-CG1 4.26Å; I233-I272 HydrophobicContact CG2-CD1 4.26Å; I233-I272 HydrophobicContact CG2-CG2 4.06Å; I233-L286 HydrophobicContact CD1-CD1 4.02Å
234	S	65.7	Low	61.3	Low	28 Å²	28	71.3 Å²	71.3	20%	0.196	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.8	174.4	64.7	0	0	0	0	110.8	L241 K242 W244	S234-L241 CarbonylContact O-C 3.59Å; S234-L241 WeakPolarHBondContact O-CA 3.1Å; S234-K242 PolarHBondContact N-O 3.42Å; S234-K242 PolarHBondContact O-N 3.06Å; S234-W244 PolarHBondContact OG-NE1 3.4Å
235	G	65.8	Low	63.2	Low	9 Å²	9	69.7 Å²	69.7	9%	0.093	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	148.3	166.7	0	0	0	0	0	110.2
236	S	68.8	Low	64.5	Low	10 Å²	10	64.4 Å²	64.4	7%	0.07	32%	0.316	C	S	.	.			trans	-135.9	159.1	-172.5	175.4	0	0	0	0	113.1	D238 R239 T240 V262	S236-D238 VanDerWaalsContact CB-CG 3.47Å; S236-D238 VanDerWaalsContact CB-OD1 3.27Å; S236-D238 WeakPolarHBondContact CB-OD1 3.44Å; S236-D238 WeakPolarHBondContact CB-OD2 3.32Å; S236-D238 PolarHBondContact O-N 3.01Å; S236-D238 PolarHBondContact OG-N 3.2Å; S236-D238 VanDerWaalsContact OG-N 3.14Å; S236-D238 PolarHBondContact OG-OD1 3.28Å; S236-D238 PolarHBondContact OG-OD2 2.97Å; S236-R239 PolarHBondContact O-N 2.7Å; S236-T240 PolarHBondContact N-O 2.82Å; S236-T240 VanDerWaalsContact N-O 3.1Å; S236-V262 PolarHBondContact O-N 3.01Å
237	Y	74.2	Confident	66.1	Low	126 Å²	126	64.9 Å²	64.9	49%	0.494	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.7	168.8	-76.1	-86.9	0	0	0	112.8	H214 A216 R239 A261 L263	H214-Y237 WeakPolarHBondContact O-CD2 3.48Å; A216-Y237 HydrophobicContact CB-CD2 4.28Å; A216-Y237 HydrophobicContact CB-CE2 3.6Å; Y237-R239 PolarHBondContact O-N 3.23Å; Y237-R239 VanDerWaalsContact O-N 3.17Å; Y237-A261 HydrophobicContact CD1-CB 3.44Å; Y237-A261 VanDerWaalsContact CD1-CB 3.44Å; Y237-A261 HydrophobicContact CE1-CB 4.04Å; Y237-A261 HydrophobicContact CG-CB 4.09Å; Y237-L263 HydrophobicContact CE1-CD2 4.19Å
238	D	73.7	Confident	67.8	Low	76 Å²	76	59.8 Å²	59.8	41%	0.406	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	0.8	172.9	67.1	28.7	0	0	0	114.3	S236 T240	S236-D238 VanDerWaalsContact CB-CG 3.47Å; S236-D238 VanDerWaalsContact CB-OD1 3.27Å; S236-D238 WeakPolarHBondContact CB-OD1 3.44Å; S236-D238 WeakPolarHBondContact CB-OD2 3.32Å; S236-D238 PolarHBondContact O-N 3.01Å; S236-D238 PolarHBondContact OG-N 3.2Å; S236-D238 VanDerWaalsContact OG-N 3.14Å; S236-D238 PolarHBondContact OG-OD1 3.28Å; S236-D238 PolarHBondContact OG-OD2 2.97Å; D238-T240 VanDerWaalsContact C-N 3.32Å; D238-T240 WeakPolarHBondContact OD1-CA 3.12Å; D238-T240 VanDerWaalsContact OD1-CB 3.29Å; D238-T240 WeakPolarHBondContact OD1-CB 3.44Å; D238-T240 PolarHBondContact OD1-N 2.96Å; D238-T240 PolarHBondContact OD1-OG1 2.83Å
239	R	85	Confident	68.7	Low	141 Å²	141	60.1 Å²	60.1	53%	0.532	31%	0.307	S	S	.	.	S	Bend	trans	77.4	11	178.2	-41.3	171.8	-80.8	-171.6	-4.8	114.5	S236 Y237 G259 A260	S236-R239 PolarHBondContact O-N 2.7Å; Y237-R239 PolarHBondContact O-N 3.23Å; Y237-R239 VanDerWaalsContact O-N 3.17Å; R239-G259 WeakPolarHBondContact CD-O 3.4Å; R239-A260 WeakPolarHBondContact CA-O 3.37Å; R239-A260 WeakPolarHBondContact CB-O 3.38Å; R239-A260 WeakPolarHBondContact CG-O 3.24Å
240	T	78.6	Confident	69	Low	10 Å²	10	59.4 Å²	59.4	6%	0.061	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	158.3	178.9	72.7	0	0	0	0	111.8	S236 D238 T254 L255 R256	S236-T240 PolarHBondContact N-O 2.82Å; S236-T240 VanDerWaalsContact N-O 3.1Å; D238-T240 VanDerWaalsContact C-N 3.32Å; D238-T240 WeakPolarHBondContact OD1-CA 3.12Å; D238-T240 VanDerWaalsContact OD1-CB 3.29Å; D238-T240 WeakPolarHBondContact OD1-CB 3.44Å; D238-T240 PolarHBondContact OD1-N 2.96Å; D238-T240 PolarHBondContact OD1-OG1 2.83Å; T240-T254 HydrophobicContact CG2-CG2 4.12Å; T240-L255 WeakPolarHBondContact CA-O 3.33Å; T240-R256 HydrophobicContact CG2-CG 4.16Å
241	L	82.5	Confident	69.3	Low	1 Å²	1	56.9 Å²	56.9	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	149.8	158.9	-59.1	90.2	0	0	0	108.9	I233 S234 T254 L255 V262 L265 I272 W284	I233-L241 HydrophobicContact CG2-CD2 4.15Å; S234-L241 CarbonylContact O-C 3.59Å; S234-L241 WeakPolarHBondContact O-CA 3.1Å; L241-T254 CarbonylContact O-C 3.57Å; L241-T254 WeakPolarHBondContact O-CA 3.17Å; L241-L255 HydrophobicContact CB-CB 4.08Å; L241-L255 HydrophobicContact CB-CD1 4.13Å; L241-L255 HydrophobicContact CB-CG 4.31Å; L241-L255 PolarHBondContact N-O 3.45Å; L241-L255 PolarHBondContact O-N 3.26Å; L241-V262 HydrophobicContact CD1-CG1 4.44Å; L241-V262 HydrophobicContact CD1-CG2 3.94Å; L241-V262 HydrophobicContact CD2-CG1 4.39Å; L241-V262 HydrophobicContact CG-CG1 4.26Å; L241-V262 HydrophobicContact CG-CG2 4.29Å; L241-L265 HydrophobicContact CD2-CB 4.37Å; L241-L265 HydrophobicContact CD2-CD2 4.15Å; L241-I272 HydrophobicContact CD2-CG2 3.99Å; L241-W284 HydrophobicContact CD1-CZ2 3.84Å
242	K	73.6	Confident	69.8	Low	54 Å²	54	59.6 Å²	59.6	24%	0.235	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.6	174.1	-69.3	176.8	171.7	-70.4	0	109.8	I233 S234 W244 E253 T254	I233-K242 WeakPolarHBondContact CA-O 3.5Å; S234-K242 PolarHBondContact N-O 3.42Å; S234-K242 PolarHBondContact O-N 3.06Å; K242-W244 HydrophobicContact CB-CZ2 3.89Å; K242-W244 HydrophobicContact CD-CH2 4.07Å; K242-W244 HydrophobicContact CD-CZ2 3.47Å; K242-W244 VanDerWaalsContact CD-CZ2 3.47Å; K242-W244 HydrophobicContact CG-CZ2 4.34Å; K242-E253 WeakPolarHBondContact CA-O 3.41Å; K242-T254 HydrophobicContact CG-CG2 4.28Å; K242-T254 PolarHBondContact NZ-OG1 2.87Å
243	V	78.9	Confident	70.9	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.9	171.8	-174	0	0	0	0	106.9	I232 I233 C251 F252 E253 L255 I272 L286	I232-V243 CarbonylContact O-C 3.54Å; I232-V243 WeakPolarHBondContact O-CA 3.34Å; I233-V243 HydrophobicContact CG1-CG1 4.48Å; I233-V243 HydrophobicContact CG1-CG2 4.19Å; V243-C251 CarbonylContact O-C 3.58Å; V243-F252 HydrophobicContact CG1-CD1 4.46Å; V243-F252 PolarHBondContact O-N 3.34Å; V243-E253 PolarHBondContact N-O 3.47Å; V243-E253 PolarHBondContact O-N 2.9Å; V243-L255 HydrophobicContact CG2-CD1 4.2Å; V243-L255 HydrophobicContact CG2-CG 4.36Å; V243-I272 HydrophobicContact CG2-CD1 4.1Å; V243-L286 HydrophobicContact CG1-CD1 4.39Å
244	W	69.3	Low	71.7	Confident	78 Å²	78	62.8 Å²	62.8	30%	0.295	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.8	-176.6	-53.9	87.6	0	0	0	109	K231 I232 S234 K242 Q250 C251	K231-W244 CarbonylContact C-O 3.58Å; K231-W244 VanDerWaalsContact CA-O 3.26Å; K231-W244 WeakPolarHBondContact CA-O 3.48Å; I232-W244 HydrophobicContact CB-CB 4.22Å; I232-W244 PolarHBondContact N-O 2.74Å; I232-W244 PolarHBondContact O-N 2.55Å; S234-W244 PolarHBondContact OG-NE1 3.4Å; K242-W244 HydrophobicContact CB-CZ2 3.89Å; K242-W244 HydrophobicContact CD-CH2 4.07Å; K242-W244 HydrophobicContact CD-CZ2 3.47Å; K242-W244 VanDerWaalsContact CD-CZ2 3.47Å; K242-W244 HydrophobicContact CG-CZ2 4.34Å; W244-Q250 WeakPolarHBondContact CA-O 3.47Å; W244-C251 HydrophobicContact CD2-CB 4.37Å; W244-C251 HydrophobicContact CE3-CB 3.72Å; W244-C251 HydrophobicContact CH2-CB 4.08Å; W244-C251 HydrophobicContact CZ3-CB 3.56Å
245	D	66.8	Low	72.9	Confident	45 Å²	45	61.7 Å²	61.7	24%	0.241	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120.9	165.9	169.1	9	0	0	0	108.4	E230 V247 S248 S249 Q250	E230-D245 CarbonylContact O-C 3.59Å; E230-D245 WeakPolarHBondContact O-CA 3.24Å; D245-V247 VanDerWaalsContact C-N 3.34Å; D245-V247 WeakPolarHBondContact OD1-CB 3.31Å; D245-V247 PolarHBondContact OD1-N 3.27Å; D245-S248 WeakPolarHBondContact CB-OG 3.47Å; D245-S248 PolarHBondContact OD1-N 2.95Å; D245-S248 WeakPolarHBondContact OD2-CB 3.46Å; D245-S248 PolarHBondContact OD2-N 2.79Å; D245-S248 PolarHBondContact OD2-OG 2.92Å; D245-S249 WeakPolarHBondContact O-CA 3.21Å; D245-S249 PolarHBondContact O-N 3.17Å; D245-Q250 PolarHBondContact N-O 3.1Å; D245-Q250 PolarHBondContact O-N 2.81Å
246	L	59.2	Low	74.1	Confident	59 Å²	59	70 Å²	70	31%	0.309	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-34.7	179.5	-84.6	172.1	0	0	0	112.5	D229 E230 I232	D229-L246 WeakPolarHBondContact O-CD1 3.31Å; E230-L246 WeakPolarHBondContact O-CB 3.36Å; E230-L246 PolarHBondContact O-N 3.39Å; I232-L246 HydrophobicContact CD1-CD1 4.26Å; I232-L246 HydrophobicContact CD1-CD2 3.3Å; I232-L246 HydrophobicContact CD1-CG 3.95Å; I232-L246 HydrophobicContact CG1-CD1 3.93Å; I232-L246 HydrophobicContact CG1-CD2 3.76Å; I232-L246 HydrophobicContact CG1-CG 3.8Å
247	V	58.4	Low	75.3	Confident	104 Å²	104	71.2 Å²	71.2	63%	0.63	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-49.7	-177	-177.8	0	0	0	0	109.7	E230 D245	E230-V247 HydrophobicContact CB-CG2 4.16Å; E230-V247 HydrophobicContact CG-CG2 3.75Å; D245-V247 VanDerWaalsContact C-N 3.34Å; D245-V247 WeakPolarHBondContact OD1-CB 3.31Å; D245-V247 PolarHBondContact OD1-N 3.27Å
248	S	62.8	Low	76.1	Confident	51 Å²	51	65.7 Å²	65.7	36%	0.357	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-15.5	178.8	65.8	0	0	0	0	113.9	D245 Q250	D245-S248 WeakPolarHBondContact CB-OG 3.47Å; D245-S248 PolarHBondContact OD1-N 2.95Å; D245-S248 WeakPolarHBondContact OD2-CB 3.46Å; D245-S248 PolarHBondContact OD2-N 2.79Å; D245-S248 PolarHBondContact OD2-OG 2.92Å; S248-Q250 PolarHBondContact O-N 2.79Å; S248-Q250 PolarHBondContact OG-N 2.66Å
249	S	59.6	Low	77	Confident	94 Å²	94	64.6 Å²	64.6	66%	0.657	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	25	-169.6	-59	0	0	0	0	113.5	D245	D245-S249 WeakPolarHBondContact O-CA 3.21Å; D245-S249 PolarHBondContact O-N 3.17Å
250	Q	61.1	Low	77.4	Confident	134 Å²	134	59.2 Å²	59.2	63%	0.626	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	149.7	179.5	-63.4	-173.7	5	0	0	111.7	W244 D245 S248 F252	W244-Q250 WeakPolarHBondContact CA-O 3.47Å; D245-Q250 PolarHBondContact N-O 3.1Å; D245-Q250 PolarHBondContact O-N 2.81Å; S248-Q250 PolarHBondContact O-N 2.79Å; S248-Q250 PolarHBondContact OG-N 2.66Å; Q250-F252 PolarHBondContact O-N 3.06Å
251	C	72.1	Confident	77.4	Confident	47 Å²	47	59.4 Å²	59.4	32%	0.318	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	110.8	168.8	-174.6	0	0	0	0	107.8	V243 W244 E253	V243-C251 CarbonylContact O-C 3.58Å; W244-C251 HydrophobicContact CD2-CB 4.37Å; W244-C251 HydrophobicContact CE3-CB 3.72Å; W244-C251 HydrophobicContact CH2-CB 4.08Å; W244-C251 HydrophobicContact CZ3-CB 3.56Å; C251-E253 PolarHBondContact SG-O 3.29Å
252	F	77	Confident	77.4	Confident	125 Å²	125	59.6 Å²	59.6	55%	0.548	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	-50.8	175.8	178.9	-103	0	0	0	110.6	V243 Q250	V243-F252 HydrophobicContact CG1-CD1 4.46Å; V243-F252 PolarHBondContact O-N 3.34Å; Q250-F252 PolarHBondContact O-N 3.06Å
253	E	87.9	Confident	77.8	Confident	89 Å²	89	59.9 Å²	59.9	42%	0.416	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	155.1	-176	-88	-59.9	167.2	0	0	113.4	K242 V243 C251 C289	K242-E253 WeakPolarHBondContact CA-O 3.41Å; V243-E253 PolarHBondContact N-O 3.47Å; V243-E253 PolarHBondContact O-N 2.9Å; C251-E253 PolarHBondContact SG-O 3.29Å; E253-C289 HydrophobicContact CB-CB 4.14Å; E253-C289 HydrophobicContact CG-CB 4Å
254	T	84.9	Confident	78	Confident	37 Å²	37	60.5 Å²	60.5	23%	0.227	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	106.8	173.5	-59.9	0	0	0	0	110.6	T240 L241 K242 R256	T240-T254 HydrophobicContact CG2-CG2 4.12Å; L241-T254 CarbonylContact O-C 3.57Å; L241-T254 WeakPolarHBondContact O-CA 3.17Å; K242-T254 HydrophobicContact CG-CG2 4.28Å; K242-T254 PolarHBondContact NZ-OG1 2.87Å; T254-R256 HydrophobicContact CG2-CG 4.34Å
255	L	89.8	Confident	78.8	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.1	180	-43.2	-178.7	0	0	0	110	T240 L241 V243 I272 W284 C289	T240-L255 WeakPolarHBondContact CA-O 3.33Å; L241-L255 HydrophobicContact CB-CB 4.08Å; L241-L255 HydrophobicContact CB-CD1 4.13Å; L241-L255 HydrophobicContact CB-CG 4.31Å; L241-L255 PolarHBondContact N-O 3.45Å; L241-L255 PolarHBondContact O-N 3.26Å; V243-L255 HydrophobicContact CG2-CD1 4.2Å; V243-L255 HydrophobicContact CG2-CG 4.36Å; L255-I272 HydrophobicContact CD1-CD1 3.56Å; L255-W284 HydrophobicContact CB-CD2 4.37Å; L255-W284 HydrophobicContact CB-CE3 3.93Å; L255-W284 HydrophobicContact CB-CH2 4.28Å; L255-W284 HydrophobicContact CB-CZ3 3.88Å; L255-W284 HydrophobicContact CD1-CB 4.25Å; L255-W284 HydrophobicContact CD1-CD2 4.07Å; L255-W284 HydrophobicContact CD1-CE3 4.19Å; L255-W284 HydrophobicContact CD1-CG 4.08Å; L255-W284 HydrophobicContact CG-CE3 4.5Å; L255-C289 HydrophobicContact CD2-CB 3.52Å; L255-C289 WeakPolarHBondContact CD2-O 3.31Å
256	R	92.5	Very high	79.8	Confident	184 Å²	184	55.8 Å²	55.8	69%	0.694	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	140.6	-179.9	-61.7	179	-177.7	-89.3	1.4	110	T240 T254 W284	T240-R256 HydrophobicContact CG2-CG 4.16Å; T254-R256 HydrophobicContact CG2-CG 4.34Å; R256-W284 WeakPolarHBondContact O-CH2 3.14Å
257	G	92.4	Very high	80.9	Confident	35 Å²	35	54.6 Å²	54.6	36%	0.361	31%	0.309	S	S	.	.			trans	164.4	-29	173.4	0	0	0	0	0	114.8	R282	G257-R282 VanDerWaalsContact C-CZ 3.46Å; G257-R282 PolarHBondContact O-NE 2.87Å; G257-R282 PolarHBondContact O-NH2 3.49Å
258	H	91.3	Very high	82.1	Confident	11 Å²	11	51.5 Å²	51.5	5%	0.051	29%	0.289	C	S	.	.			trans	-65.8	141	175.4	-80.4	-64.8	0	0	0	111.8	V262 S274 S276 D278 T280	H258-V262 HydrophobicContact CB-CG2 4.3Å; H258-S274 PolarHBondContact NE2-OG 2.92Å; H258-S276 VanDerWaalsContact CE1-CB 3.44Å; H258-S276 WeakPolarHBondContact CE1-CB 3.42Å; H258-S276 WeakPolarHBondContact ND1-CB 3.48Å; H258-D278 VanDerWaalsContact CA-OD2 3.31Å; H258-D278 WeakPolarHBondContact CA-OD2 3.12Å; H258-D278 IonicContact CG-OD2 3.27Å; H258-D278 IonicContact ND1-OD1 3.52Å; H258-D278 IonicContact ND1-OD2 3.65Å; H258-D278 PolarHBondContact ND1-OD2 2.96Å; H258-T280 PolarHBondContact CE1-OG1 3.5Å; H258-T280 PolarHBondContact ND1-OG1 3.31Å
259	G	94.2	Very high	83	Confident	52 Å²	52	53.4 Å²	53.4	54%	0.536	29%	0.293	S	S	.	.	S	Bend	trans	-80.4	-21.1	177.5	0	0	0	0	0	113.2	R239 D278	R239-G259 WeakPolarHBondContact CD-O 3.4Å; G259-D278 PolarHBondContact N-OD2 3.47Å
260	A	91.8	Very high	84.4	Confident	28 Å²	28	54.9 Å²	54.9	23%	0.231	29%	0.289	C	S	.	.	S	Bend	trans	-143.8	-175.2	-178.3	0	0	0	0	0	111.5	R239 S276 A277 D278	R239-A260 WeakPolarHBondContact CA-O 3.37Å; R239-A260 WeakPolarHBondContact CB-O 3.38Å; R239-A260 WeakPolarHBondContact CG-O 3.24Å; A260-S276 PolarHBondContact O-OG 3.12Å; A260-S276 VanDerWaalsContact O-OG 3.06Å; A260-A277 HydrophobicContact CB-CB 3.87Å; A260-D278 HydrophobicContact CB-CB 3.9Å
261	A	79.8	Confident	85.9	Confident	14 Å²	14	51.3 Å²	51.3	12%	0.116	27%	0.271	C	S	.	.			trans	-53.6	138.1	-174.8	0	0	0	0	0	112.5	Y237 L263 S276 A277	Y237-A261 HydrophobicContact CD1-CB 3.44Å; Y237-A261 VanDerWaalsContact CD1-CB 3.44Å; Y237-A261 HydrophobicContact CE1-CB 4.04Å; Y237-A261 HydrophobicContact CG-CB 4.09Å; A261-L263 HydrophobicContact CB-CD2 4.06Å; A261-S276 CarbonylContact O-C 3.56Å; A261-S276 VanDerWaalsContact O-CA 3.23Å; A261-S276 WeakPolarHBondContact O-CA 3.47Å; A261-S276 VanDerWaalsContact O-CB 3.32Å; A261-S276 WeakPolarHBondContact O-CB 3.41Å; A261-S276 PolarHBondContact O-OG 2.95Å; A261-A277 HydrophobicContact CB-CB 4.29Å; A261-A277 PolarHBondContact O-N 3.3Å
262	V	81	Confident	86.8	Confident	6 Å²	6	49.1 Å²	49.1	4%	0.036	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	116.2	171.2	-175.5	0	0	0	0	107.7	S236 L241 H258	S236-V262 PolarHBondContact O-N 3.01Å; L241-V262 HydrophobicContact CD1-CG1 4.44Å; L241-V262 HydrophobicContact CD1-CG2 3.94Å; L241-V262 HydrophobicContact CD2-CG1 4.39Å; L241-V262 HydrophobicContact CG-CG1 4.26Å; L241-V262 HydrophobicContact CG-CG2 4.29Å; H258-V262 HydrophobicContact CB-CG2 4.3Å
263	L	83	Confident	87.6	Confident	59 Å²	59	43.1 Å²	43.1	31%	0.309	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-26	-171.4	-61.2	-177.6	0	0	0	113	Y237 A261 G275 A277 A302 V303	Y237-L263 HydrophobicContact CE1-CD2 4.19Å; A261-L263 HydrophobicContact CB-CD2 4.06Å; L263-G275 PolarHBondContact N-O 2.95Å; L263-A277 HydrophobicContact CD1-CB 4.01Å; L263-A277 HydrophobicContact CG-CB 4.29Å; L263-A302 HydrophobicContact CD1-CB 3.93Å; L263-V303 WeakPolarHBondContact CB-O 3.29Å
264	C	83.8	Confident	87.7	Confident	15 Å²	15	38.9 Å²	38.9	10%	0.101	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	151.5	177	55.9	0	0	0	0	110.8	S274 G275 T304 C305 L306	C264-S274 WeakPolarHBondContact O-CA 3.33Å; C264-G275 PolarHBondContact N-O 3.33Å; C264-G275 PolarHBondContact O-N 2.66Å; C264-T304 WeakPolarHBondContact CB-O 3.47Å; C264-C305 PolarHBondContact SG-N 3.35Å; C264-L306 HydrophobicContact CB-CG 4.32Å
265	L	85.9	Confident	88	Confident	8 Å²	8	37.1 Å²	37.1	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	163.6	172.4	70.5	93.2	0	0	0	110.7	T219 I233 L241 F267 V273	T219-L265 HydrophobicContact CG2-CD1 4.07Å; T219-L265 VanDerWaalsContact CG2-O 3.3Å; T219-L265 WeakPolarHBondContact CG2-O 3.12Å; T219-L265 WeakPolarHBondContact OG1-CG 3.42Å; T219-L265 PolarHBondContact OG1-O 3.42Å; I233-L265 HydrophobicContact CB-CD1 4.26Å; I233-L265 HydrophobicContact CG2-CD1 4Å; I233-L265 HydrophobicContact CG2-CD2 4.12Å; L241-L265 HydrophobicContact CD2-CB 4.37Å; L241-L265 HydrophobicContact CD2-CD2 4.15Å; L265-F267 HydrophobicContact CD1-CD1 4.36Å; L265-V273 CarbonylContact C-O 3.44Å; L265-V273 WeakPolarHBondContact CA-O 3.5Å
266	Q	87	Confident	88.1	Confident	15 Å²	15	37 Å²	37	7%	0.07	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	156.7	169.4	-80.7	-66.8	-42.1	0	0	107.8	T219 S221 V273 L306 F308	T219-Q266 VanDerWaalsContact CG2-NE2 3.28Å; S221-Q266 VanDerWaalsContact OG-CD 3.22Å; S221-Q266 PolarHBondContact OG-NE2 3.47Å; S221-Q266 PolarHBondContact OG-OE1 2.95Å; Q266-V273 PolarHBondContact N-O 3.24Å; Q266-V273 PolarHBondContact O-N 2.95Å; Q266-L306 HydrophobicContact CB-CD1 3.67Å; Q266-L306 HydrophobicContact CG-CD1 3.68Å; Q266-F308 HydrophobicContact CB-CD1 3.44Å; Q266-F308 VanDerWaalsContact CB-CD1 3.44Å; Q266-F308 HydrophobicContact CB-CE1 3.51Å; Q266-F308 HydrophobicContact CG-CD1 4.39Å
267	F	82.4	Confident	88.1	Confident	34 Å²	34	30 Å²	30	15%	0.149	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	156	174	69.6	-84.1	0	0	0	112.5	I233 L265 K271 I272	I233-F267 HydrophobicContact CB-CD1 4.37Å; I233-F267 HydrophobicContact CD1-CB 3.51Å; I233-F267 HydrophobicContact CD1-CD1 3.48Å; I233-F267 VanDerWaalsContact CD1-CD1 3.48Å; I233-F267 HydrophobicContact CD1-CD2 3.48Å; I233-F267 VanDerWaalsContact CD1-CD2 3.48Å; I233-F267 HydrophobicContact CD1-CE1 4Å; I233-F267 HydrophobicContact CD1-CE2 3.99Å; I233-F267 HydrophobicContact CD1-CG 3.2Å; I233-F267 HydrophobicContact CD1-CZ 4.23Å; L265-F267 HydrophobicContact CD1-CD1 4.36Å; F267-K271 CarbonylContact C-O 3.46Å; F267-K271 WeakPolarHBondContact CA-O 3.42Å; F267-K271 WeakPolarHBondContact CB-O 3.42Å; F267-I272 HydrophobicContact CB-CB 4.48Å; F267-I272 HydrophobicContact CB-CG1 4.16Å
268	D	83.7	Confident	88.2	Confident	39 Å²	39	30 Å²	30	21%	0.209	17%	0.173	C	C	.	.			trans	-123.4	-164.6	168.3	68.1	19.2	0	0	0	108.8	E270 K271 L286 F308	D268-E270 PolarHBondContact O-N 2.89Å; D268-E270 WeakPolarHBondContact OD1-CA 3.49Å; D268-E270 PolarHBondContact OD1-N 3.31Å; D268-K271 PolarHBondContact N-O 3.42Å; D268-K271 PolarHBondContact OD1-N 2.85Å; D268-L286 WeakPolarHBondContact O-CD2 3.32Å; D268-F308 HydrophobicContact CB-CE2 4.26Å; D268-F308 HydrophobicContact CB-CZ 3.81Å; D268-F308 VanDerWaalsContact OD2-CE2 3.25Å; D268-F308 WeakPolarHBondContact OD2-CE2 3.43Å
269	Q	81.8	Confident	88.5	Confident	91 Å²	91	32.1 Å²	32.1	43%	0.425	18%	0.184	S	C	.	.	S	Bend	trans	-66.6	-19.9	-178.8	-58.1	175.3	3.7	0	0	113.3	S224 T226 M227	S224-Q269 PolarHBondContact O-NE2 2.92Å; T226-Q269 VanDerWaalsContact C-NE2 3.35Å; T226-Q269 PolarHBondContact O-NE2 3.41Å; T226-Q269 PolarHBondContact O-OE1 3.25Å; T226-Q269 PolarHBondContact OG1-NE2 3.01Å; T226-Q269 VanDerWaalsContact OG1-NE2 3.09Å; T226-Q269 PolarHBondContact OG1-OE1 3.28Å; M227-Q269 VanDerWaalsContact O-CG 3.29Å; M227-Q269 WeakPolarHBondContact O-CG 3.22Å
270	E	89.2	Confident	88.6	Confident	126 Å²	126	30 Å²	30	59%	0.589	16%	0.161	S	C	*	.	S	Bend	trans	-118.7	-30.2	-172.2	-63.6	-172.7	163.9	0	0	113.7	D268 L286	D268-E270 PolarHBondContact O-N 2.89Å; D268-E270 WeakPolarHBondContact OD1-CA 3.49Å; D268-E270 PolarHBondContact OD1-N 3.31Å; E270-L286 WeakPolarHBondContact O-CB 3.38Å; E270-L286 PolarHBondContact O-N 3.33Å
271	K	91.9	Very high	88.9	Confident	58 Å²	58	28.6 Å²	28.6	25%	0.252	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.4	-164.1	-66.1	173.7	-153.9	69.5	0	111.6	F267 D268 V283 W284	F267-K271 CarbonylContact C-O 3.46Å; F267-K271 WeakPolarHBondContact CA-O 3.42Å; F267-K271 WeakPolarHBondContact CB-O 3.42Å; D268-K271 PolarHBondContact N-O 3.42Å; D268-K271 PolarHBondContact OD1-N 2.85Å; K271-V283 HydrophobicContact CB-CG1 4.25Å; K271-V283 HydrophobicContact CD-CG1 4.17Å; K271-V283 HydrophobicContact CG-CG1 4.26Å; K271-W284 CarbonylContact C-O 3.45Å; K271-W284 VanDerWaalsContact CA-O 3.23Å; K271-W284 WeakPolarHBondContact CA-O 3.25Å
272	I	91.5	Very high	89.7	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.8	164.1	-51.8	167	0	0	0	106.8	I233 L241 V243 L255 F267 V283 W284 L286	I233-I272 HydrophobicContact CD1-CD1 3.97Å; I233-I272 HydrophobicContact CD1-CG1 3.82Å; I233-I272 HydrophobicContact CG1-CD1 3.88Å; I233-I272 HydrophobicContact CG1-CG1 4.26Å; I233-I272 HydrophobicContact CG2-CD1 4.26Å; I233-I272 HydrophobicContact CG2-CG2 4.06Å; L241-I272 HydrophobicContact CD2-CG2 3.99Å; V243-I272 HydrophobicContact CG2-CD1 4.1Å; L255-I272 HydrophobicContact CD1-CD1 3.56Å; F267-I272 HydrophobicContact CB-CB 4.48Å; F267-I272 HydrophobicContact CB-CG1 4.16Å; I272-V283 CarbonylContact O-C 3.55Å; I272-V283 VanDerWaalsContact O-CA 3.3Å; I272-V283 WeakPolarHBondContact O-CA 3.37Å; I272-W284 HydrophobicContact CB-CB 4.07Å; I272-W284 HydrophobicContact CB-CG 4.31Å; I272-W284 HydrophobicContact CD1-CB 4.47Å; I272-W284 PolarHBondContact N-O 2.81Å; I272-W284 PolarHBondContact O-N 2.7Å; I272-L286 HydrophobicContact CD1-CD1 3.69Å; I272-L286 HydrophobicContact CG1-CB 4.47Å; I272-L286 HydrophobicContact CG1-CD1 3.88Å
273	V	93.8	Very high	90.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.9	171.9	-174.5	0	0	0	0	108.4	L265 Q266 I281 R282 V283 L306 F308 I313	L265-V273 CarbonylContact C-O 3.44Å; L265-V273 WeakPolarHBondContact CA-O 3.5Å; Q266-V273 PolarHBondContact N-O 3.24Å; Q266-V273 PolarHBondContact O-N 2.95Å; V273-I281 HydrophobicContact CG1-CG2 3.75Å; V273-R282 CarbonylContact C-O 3.51Å; V273-R282 WeakPolarHBondContact CA-O 3.33Å; V273-V283 HydrophobicContact CG2-CG1 4.41Å; V273-V283 HydrophobicContact CG2-CG2 4.36Å; V273-L306 HydrophobicContact CB-CD1 4.21Å; V273-L306 HydrophobicContact CG1-CD1 4.04Å; V273-L306 HydrophobicContact CG1-CD2 4.1Å; V273-F308 HydrophobicContact CB-CD1 4.06Å; V273-F308 HydrophobicContact CB-CE1 4.4Å; V273-F308 HydrophobicContact CB-CG 4.39Å; V273-F308 HydrophobicContact CG2-CB 4.31Å; V273-F308 HydrophobicContact CG2-CD1 3.74Å; V273-F308 HydrophobicContact CG2-CD2 3.94Å; V273-F308 HydrophobicContact CG2-CE1 3.97Å; V273-F308 HydrophobicContact CG2-CE2 4.16Å; V273-F308 HydrophobicContact CG2-CG 3.72Å; V273-F308 HydrophobicContact CG2-CZ 4.17Å; V273-I313 HydrophobicContact CG1-CD1 3.89Å; V273-I313 HydrophobicContact CG1-CG1 4.24Å; V273-I313 HydrophobicContact CG1-CG2 4.18Å; V273-I313 HydrophobicContact CG2-CD1 4.46Å
274	S	89.8	Confident	91	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.8	-176.4	62.2	0	0	0	0	112.4	H258 C264 I281 R282 W284	H258-S274 PolarHBondContact NE2-OG 2.92Å; C264-S274 WeakPolarHBondContact O-CA 3.33Å; S274-I281 CarbonylContact O-C 3.53Å; S274-I281 VanDerWaalsContact O-CA 3.25Å; S274-I281 WeakPolarHBondContact O-CA 3.43Å; S274-R282 PolarHBondContact N-O 3.49Å; S274-R282 PolarHBondContact O-N 3.24Å; S274-W284 PolarHBondContact OG-NE1 2.86Å
275	G	91.7	Very high	91.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	141.1	175	0	0	0	0	0	110.7	L263 C264 L306	L263-G275 PolarHBondContact N-O 2.95Å; C264-G275 PolarHBondContact N-O 3.33Å; C264-G275 PolarHBondContact O-N 2.66Å; G275-L306 VanDerWaalsContact N-CD2 3.31Å
276	S	90.9	Very high	91.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	163.6	-170.8	172.7	0	0	0	0	113.1	H258 A260 A261 D278 D279 T280 V303	H258-S276 VanDerWaalsContact CE1-CB 3.44Å; H258-S276 WeakPolarHBondContact CE1-CB 3.42Å; H258-S276 WeakPolarHBondContact ND1-CB 3.48Å; A260-S276 PolarHBondContact O-OG 3.12Å; A260-S276 VanDerWaalsContact O-OG 3.06Å; A261-S276 CarbonylContact O-C 3.56Å; A261-S276 VanDerWaalsContact O-CA 3.23Å; A261-S276 WeakPolarHBondContact O-CA 3.47Å; A261-S276 VanDerWaalsContact O-CB 3.32Å; A261-S276 WeakPolarHBondContact O-CB 3.41Å; A261-S276 PolarHBondContact O-OG 2.95Å; S276-D278 WeakPolarHBondContact CB-OD1 2.93Å; S276-D278 PolarHBondContact O-N 3.14Å; S276-D278 VanDerWaalsContact OG-CG 3.25Å; S276-D278 PolarHBondContact OG-N 3.43Å; S276-D278 PolarHBondContact OG-OD1 3.47Å; S276-D279 PolarHBondContact O-N 3.3Å; S276-T280 PolarHBondContact N-O 2.9Å; S276-V303 PolarHBondContact O-N 2.6Å
277	A	92.3	Very high	91.9	Very high	38 Å²	38	37.4 Å²	37.4	31%	0.314	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-2	167.3	0	0	0	0	0	114	A260 A261 L263 A302	A260-A277 HydrophobicContact CB-CB 3.87Å; A261-A277 HydrophobicContact CB-CB 4.29Å; A261-A277 PolarHBondContact O-N 3.3Å; L263-A277 HydrophobicContact CD1-CB 4.01Å; L263-A277 HydrophobicContact CG-CB 4.29Å; A277-A302 HydrophobicContact CB-CB 4.16Å
278	D	96	Very high	92.4	Very high	36 Å²	36	38.4 Å²	38.4	19%	0.193	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	12.2	172.1	67.9	10.4	0	0	0	113	H258 G259 A260 S276 T280	H258-D278 VanDerWaalsContact CA-OD2 3.31Å; H258-D278 WeakPolarHBondContact CA-OD2 3.12Å; H258-D278 IonicContact CG-OD2 3.27Å; H258-D278 IonicContact ND1-OD1 3.52Å; H258-D278 IonicContact ND1-OD2 3.65Å; H258-D278 PolarHBondContact ND1-OD2 2.96Å; G259-D278 PolarHBondContact N-OD2 3.47Å; A260-D278 HydrophobicContact CB-CB 3.9Å; S276-D278 WeakPolarHBondContact CB-OD1 2.93Å; S276-D278 PolarHBondContact O-N 3.14Å; S276-D278 VanDerWaalsContact OG-CG 3.25Å; S276-D278 PolarHBondContact OG-N 3.43Å; S276-D278 PolarHBondContact OG-OD1 3.47Å; D278-T280 VanDerWaalsContact CG-OG1 3.23Å; D278-T280 WeakPolarHBondContact O-CG2 3.49Å; D278-T280 PolarHBondContact O-N 2.9Å; D278-T280 VanDerWaalsContact O-N 3.16Å; D278-T280 WeakPolarHBondContact OD1-CA 3.35Å; D278-T280 VanDerWaalsContact OD1-CB 3.26Å; D278-T280 WeakPolarHBondContact OD1-CB 3.38Å; D278-T280 PolarHBondContact OD1-N 3.29Å; D278-T280 PolarHBondContact OD1-OG1 3.11Å; D278-T280 PolarHBondContact OD2-OG1 2.97Å
279	D	96.8	Very high	92.8	Very high	54 Å²	54	37.5 Å²	37.5	29%	0.289	18%	0.181	S	C	.	.	S	Bend	trans	65.2	10.5	-179.5	-45	-32.4	0	0	0	114.5	S276 A298 H299 A301 A302	S276-D279 PolarHBondContact O-N 3.3Å; D279-A298 PolarHBondContact O-N 2.95Å; D279-H299 PolarHBondContact O-N 3.07Å; D279-A301 WeakPolarHBondContact OD1-CA 3.4Å; D279-A302 WeakPolarHBondContact OD1-CA 3.35Å; D279-A302 PolarHBondContact OD1-N 2.86Å
280	T	97.3	Very high	93.4	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.043	18%	0.182	C	C	.	.			trans	-103.8	154.9	179.6	76.1	0	0	0	0	113.1	H258 S276 D278 M295	H258-T280 PolarHBondContact CE1-OG1 3.5Å; H258-T280 PolarHBondContact ND1-OG1 3.31Å; S276-T280 PolarHBondContact N-O 2.9Å; D278-T280 VanDerWaalsContact CG-OG1 3.23Å; D278-T280 WeakPolarHBondContact O-CG2 3.49Å; D278-T280 PolarHBondContact O-N 2.9Å; D278-T280 VanDerWaalsContact O-N 3.16Å; D278-T280 WeakPolarHBondContact OD1-CA 3.35Å; D278-T280 VanDerWaalsContact OD1-CB 3.26Å; D278-T280 WeakPolarHBondContact OD1-CB 3.38Å; D278-T280 PolarHBondContact OD1-N 3.29Å; D278-T280 PolarHBondContact OD1-OG1 3.11Å; D278-T280 PolarHBondContact OD2-OG1 2.97Å; T280-M295 WeakPolarHBondContact CA-O 3.28Å; T280-M295 WeakPolarHBondContact CB-O 3.3Å
281	I	97.5	Very high	93.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.5	163.3	-60.5	171.5	0	0	0	107.5	V273 S274 M295 A298 V303 I313	V273-I281 HydrophobicContact CG1-CG2 3.75Å; S274-I281 CarbonylContact O-C 3.53Å; S274-I281 VanDerWaalsContact O-CA 3.25Å; S274-I281 WeakPolarHBondContact O-CA 3.43Å; I281-M295 HydrophobicContact CB-CB 4.19Å; I281-M295 HydrophobicContact CB-CG 4.49Å; I281-M295 HydrophobicContact CB-SD 3.91Å; I281-M295 HydrophobicContact CG2-SD 3.91Å; I281-M295 PolarHBondContact N-O 3.3Å; I281-M295 WeakPolarHBondContact O-CB 3.32Å; I281-M295 PolarHBondContact O-N 2.85Å; I281-A298 HydrophobicContact CB-CB 4.4Å; I281-A298 HydrophobicContact CD1-CB 3.96Å; I281-A298 HydrophobicContact CG1-CB 3.89Å; I281-V303 HydrophobicContact CD1-CG1 4.44Å; I281-V303 HydrophobicContact CG1-CG1 4.23Å; I281-V303 HydrophobicContact CG1-CG2 4.14Å; I281-I313 HydrophobicContact CG2-CD1 4.46Å
282	R	96.7	Very high	94	Very high	39 Å²	39	34 Å²	34	15%	0.147	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.4	176.4	-70.9	-179.4	174.6	-103.2	-1.1	110.6	G257 V273 S274 W284 C291 M293 T294	G257-R282 VanDerWaalsContact C-CZ 3.46Å; G257-R282 PolarHBondContact O-NE 2.87Å; G257-R282 PolarHBondContact O-NH2 3.49Å; V273-R282 CarbonylContact C-O 3.51Å; V273-R282 WeakPolarHBondContact CA-O 3.33Å; S274-R282 PolarHBondContact N-O 3.49Å; S274-R282 PolarHBondContact O-N 3.24Å; R282-W284 HydrophobicContact CB-CZ2 3.84Å; R282-W284 VanDerWaalsContact CD-CZ2 3.43Å; R282-W284 HydrophobicContact CG-CZ2 4.28Å; R282-C291 PolarHBondContact NH1-SG 3.43Å; R282-M293 WeakPolarHBondContact CA-O 3.46Å; R282-T294 HydrophobicContact CG-CG2 4.01Å; R282-T294 PolarHBondContact NH1-OG1 3.16Å; R282-T294 VanDerWaalsContact NH1-OG1 3.15Å
283	V	96.7	Very high	94.2	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.3	170.2	-170.7	0	0	0	0	108.1	K271 I272 V273 V292 M293 I313	K271-V283 HydrophobicContact CB-CG1 4.25Å; K271-V283 HydrophobicContact CD-CG1 4.17Å; K271-V283 HydrophobicContact CG-CG1 4.26Å; I272-V283 CarbonylContact O-C 3.55Å; I272-V283 VanDerWaalsContact O-CA 3.3Å; I272-V283 WeakPolarHBondContact O-CA 3.37Å; V273-V283 HydrophobicContact CG2-CG1 4.41Å; V273-V283 HydrophobicContact CG2-CG2 4.36Å; V283-V292 HydrophobicContact CB-CG2 4.13Å; V283-V292 HydrophobicContact CG1-CG2 3.96Å; V283-V292 WeakPolarHBondContact O-CG2 3.5Å; V283-V292 PolarHBondContact O-N 3.02Å; V283-M293 HydrophobicContact CB-CB 3.93Å; V283-M293 HydrophobicContact CG2-CB 4.15Å; V283-M293 HydrophobicContact CG2-SD 4.21Å; V283-M293 PolarHBondContact N-O 2.92Å; V283-M293 PolarHBondContact O-N 3.5Å; V283-I313 HydrophobicContact CG2-CD1 4.11Å
284	W	94.8	Very high	94.3	Very high	4 Å²	4	38 Å²	38	2%	0.015	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139.9	-179	-41.4	77.9	0	0	0	109	L241 L255 R256 K271 I272 S274 R282 T290 C291	L241-W284 HydrophobicContact CD1-CZ2 3.84Å; L255-W284 HydrophobicContact CB-CD2 4.37Å; L255-W284 HydrophobicContact CB-CE3 3.93Å; L255-W284 HydrophobicContact CB-CH2 4.28Å; L255-W284 HydrophobicContact CB-CZ3 3.88Å; L255-W284 HydrophobicContact CD1-CB 4.25Å; L255-W284 HydrophobicContact CD1-CD2 4.07Å; L255-W284 HydrophobicContact CD1-CE3 4.19Å; L255-W284 HydrophobicContact CD1-CG 4.08Å; L255-W284 HydrophobicContact CG-CE3 4.5Å; R256-W284 WeakPolarHBondContact O-CH2 3.14Å; K271-W284 CarbonylContact C-O 3.45Å; K271-W284 VanDerWaalsContact CA-O 3.23Å; K271-W284 WeakPolarHBondContact CA-O 3.25Å; I272-W284 HydrophobicContact CB-CB 4.07Å; I272-W284 HydrophobicContact CB-CG 4.31Å; I272-W284 HydrophobicContact CD1-CB 4.47Å; I272-W284 PolarHBondContact N-O 2.81Å; I272-W284 PolarHBondContact O-N 2.7Å; S274-W284 PolarHBondContact OG-NE1 2.86Å; R282-W284 HydrophobicContact CB-CZ2 3.84Å; R282-W284 VanDerWaalsContact CD-CZ2 3.43Å; R282-W284 HydrophobicContact CG-CZ2 4.28Å; W284-T290 CarbonylContact C-O 3.59Å; W284-T290 VanDerWaalsContact CA-O 3.24Å; W284-T290 WeakPolarHBondContact CA-O 3.49Å; W284-C291 HydrophobicContact CD2-CB 4.23Å; W284-C291 HydrophobicContact CE3-CB 3.55Å; W284-C291 HydrophobicContact CH2-CB 4.21Å; W284-C291 HydrophobicContact CZ3-CB 3.55Å
285	D	94	Very high	94.7	Very high	40 Å²	40	38.5 Å²	38.5	21%	0.214	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	120.2	169	173.2	-50.6	0	0	0	108	R287 T288 C289 T290 V292	D285-R287 VanDerWaalsContact C-N 3.29Å; D285-R287 PolarHBondContact O-N 3.04Å; D285-R287 WeakPolarHBondContact OD1-CA 3.37Å; D285-R287 WeakPolarHBondContact OD1-CB 3.39Å; D285-R287 PolarHBondContact OD1-N 2.92Å; D285-T288 WeakPolarHBondContact CB-OG1 3.5Å; D285-T288 PolarHBondContact OD1-N 3.13Å; D285-T288 PolarHBondContact OD1-OG1 2.95Å; D285-T288 VanDerWaalsContact OD1-OG1 3.07Å; D285-C289 VanDerWaalsContact O-CA 3.25Å; D285-C289 WeakPolarHBondContact O-CA 3.17Å; D285-C289 PolarHBondContact O-N 3.08Å; D285-T290 PolarHBondContact N-O 3.37Å; D285-V292 HydrophobicContact CB-CG1 3.64Å
286	L	89.9	Confident	94.7	Very high	16 Å²	16	44.9 Å²	44.9	8%	0.084	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-29.8	-175	-177.8	61.9	0	0	0	112.1	I233 V243 D268 E270 I272	I233-L286 HydrophobicContact CD1-CD1 4.02Å; V243-L286 HydrophobicContact CG1-CD1 4.39Å; D268-L286 WeakPolarHBondContact O-CD2 3.32Å; E270-L286 WeakPolarHBondContact O-CB 3.38Å; E270-L286 PolarHBondContact O-N 3.33Å; I272-L286 HydrophobicContact CD1-CD1 3.69Å; I272-L286 HydrophobicContact CG1-CB 4.47Å; I272-L286 HydrophobicContact CG1-CD1 3.88Å
287	R	90.4	Very high	94.7	Very high	200 Å²	200	53 Å²	53	76%	0.755	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-40.8	-178	-178.5	-173.2	63.7	85	3.8	111.9	D285	D285-R287 VanDerWaalsContact C-N 3.29Å; D285-R287 PolarHBondContact O-N 3.04Å; D285-R287 WeakPolarHBondContact OD1-CA 3.37Å; D285-R287 WeakPolarHBondContact OD1-CB 3.39Å; D285-R287 PolarHBondContact OD1-N 2.92Å
288	T	93	Very high	94.8	Very high	55 Å²	55	51.2 Å²	51.2	34%	0.337	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-13.4	-178.6	62.3	0	0	0	0	113	D285 T290	D285-T288 WeakPolarHBondContact CB-OG1 3.5Å; D285-T288 PolarHBondContact OD1-N 3.13Å; D285-T288 PolarHBondContact OD1-OG1 2.95Å; D285-T288 VanDerWaalsContact OD1-OG1 3.07Å; T288-T290 WeakPolarHBondContact O-CG2 3.32Å; T288-T290 PolarHBondContact O-N 3.35Å; T288-T290 PolarHBondContact OG1-N 3.46Å; T288-T290 PolarHBondContact OG1-OG1 3.41Å
289	C	92.4	Very high	94.7	Very high	20 Å²	20	49.6 Å²	49.6	14%	0.135	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	32.5	-173.2	-67.4	0	0	0	0	112.9	E253 L255 D285	E253-C289 HydrophobicContact CB-CB 4.14Å; E253-C289 HydrophobicContact CG-CB 4Å; L255-C289 HydrophobicContact CD2-CB 3.52Å; L255-C289 WeakPolarHBondContact CD2-O 3.31Å; D285-C289 VanDerWaalsContact O-CA 3.25Å; D285-C289 WeakPolarHBondContact O-CA 3.17Å; D285-C289 PolarHBondContact O-N 3.08Å
290	T	95.5	Very high	94.6	Very high	73 Å²	73	53.3 Å²	53.3	45%	0.448	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	148.2	179.3	64.1	0	0	0	0	111.9	W284 D285 T288 V292	W284-T290 CarbonylContact C-O 3.59Å; W284-T290 VanDerWaalsContact CA-O 3.24Å; W284-T290 WeakPolarHBondContact CA-O 3.49Å; D285-T290 PolarHBondContact N-O 3.37Å; T288-T290 WeakPolarHBondContact O-CG2 3.32Å; T288-T290 PolarHBondContact O-N 3.35Å; T288-T290 PolarHBondContact OG1-N 3.46Å; T288-T290 PolarHBondContact OG1-OG1 3.41Å; T290-V292 PolarHBondContact O-N 2.96Å
291	C	96.2	Very high	94.5	Very high	45 Å²	45	54.2 Å²	54.2	30%	0.304	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	111.3	173.1	-170.8	0	0	0	0	109.2	R282 W284 M293 T294	R282-C291 PolarHBondContact NH1-SG 3.43Å; W284-C291 HydrophobicContact CD2-CB 4.23Å; W284-C291 HydrophobicContact CE3-CB 3.55Å; W284-C291 HydrophobicContact CH2-CB 4.21Å; W284-C291 HydrophobicContact CZ3-CB 3.55Å; C291-M293 PolarHBondContact SG-O 2.99Å; C291-M293 VanDerWaalsContact SG-O 3.32Å; C291-T294 PolarHBondContact SG-OG1 3.35Å; C291-T294 VanDerWaalsContact SG-OG1 3.4Å
292	V	96.4	Very high	94.3	Very high	83 Å²	83	54.8 Å²	54.8	50%	0.503	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-21	179.2	-66.4	0	0	0	0	112.5	V283 D285 T290	V283-V292 HydrophobicContact CB-CG2 4.13Å; V283-V292 HydrophobicContact CG1-CG2 3.96Å; V283-V292 WeakPolarHBondContact O-CG2 3.5Å; V283-V292 PolarHBondContact O-N 3.02Å; D285-V292 HydrophobicContact CB-CG1 3.64Å; T290-V292 PolarHBondContact O-N 2.96Å
293	M	96.3	Very high	94.2	Very high	38 Å²	38	52.9 Å²	52.9	19%	0.187	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	138.5	-178.1	-165.6	-173.3	-67.5	0	0	111.5	R282 V283 C291 M295 R328 G330	R282-M293 WeakPolarHBondContact CA-O 3.46Å; V283-M293 HydrophobicContact CB-CB 3.93Å; V283-M293 HydrophobicContact CG2-CB 4.15Å; V283-M293 HydrophobicContact CG2-SD 4.21Å; V283-M293 PolarHBondContact N-O 2.92Å; V283-M293 PolarHBondContact O-N 3.5Å; C291-M293 PolarHBondContact SG-O 2.99Å; C291-M293 VanDerWaalsContact SG-O 3.32Å; M293-M295 HydrophobicContact SD-CG 4.35Å; M293-R328 VanDerWaalsContact CE-O 3.23Å; M293-R328 WeakPolarHBondContact CE-O 3.5Å; M293-G330 WeakPolarHBondContact SD-CA 3.41Å; M293-G330 PolarHBondContact SD-N 2.84Å
294	T	96.8	Very high	93.9	Very high	47 Å²	47	53.9 Å²	53.9	29%	0.288	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.7	170.2	-59	0	0	0	0	109.6	R282 C291 Q296	R282-T294 HydrophobicContact CG-CG2 4.01Å; R282-T294 PolarHBondContact NH1-OG1 3.16Å; R282-T294 VanDerWaalsContact NH1-OG1 3.15Å; C291-T294 PolarHBondContact SG-OG1 3.35Å; C291-T294 VanDerWaalsContact SG-OG1 3.4Å; T294-Q296 HydrophobicContact CG2-CG 4.35Å; T294-Q296 VanDerWaalsContact CG2-NE2 3.32Å; T294-Q296 PolarHBondContact O-N 3.17Å
295	M	96.5	Very high	93.5	Very high	11 Å²	11	54.2 Å²	54.2	5%	0.054	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	94.1	179	-56.5	170.8	61.9	0	0	108	T280 I281 M293 A298 I313 W325	T280-M295 WeakPolarHBondContact CA-O 3.28Å; T280-M295 WeakPolarHBondContact CB-O 3.3Å; I281-M295 HydrophobicContact CB-CB 4.19Å; I281-M295 HydrophobicContact CB-CG 4.49Å; I281-M295 HydrophobicContact CB-SD 3.91Å; I281-M295 HydrophobicContact CG2-SD 3.91Å; I281-M295 PolarHBondContact N-O 3.3Å; I281-M295 WeakPolarHBondContact O-CB 3.32Å; I281-M295 PolarHBondContact O-N 2.85Å; M293-M295 HydrophobicContact SD-CG 4.35Å; M295-A298 HydrophobicContact CB-CB 4.25Å; M295-I313 HydrophobicContact SD-CD1 4.15Å; M295-W325 HydrophobicContact CE-CB 3.56Å; M295-W325 HydrophobicContact CE-CD2 3.09Å; M295-W325 HydrophobicContact CE-CE3 3.05Å; M295-W325 HydrophobicContact CE-CG 3.31Å; M295-W325 HydrophobicContact CE-CH2 4.42Å; M295-W325 HydrophobicContact CE-CZ2 4.44Å; M295-W325 HydrophobicContact CE-CZ3 3.76Å
296	Q	93.3	Very high	93.3	Very high	135 Å²	135	52.6 Å²	52.6	63%	0.631	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	134.9	-178.7	-67.4	-67	-17.9	0	0	110.5	T294 A298	T294-Q296 HydrophobicContact CG2-CG 4.35Å; T294-Q296 VanDerWaalsContact CG2-NE2 3.32Å; T294-Q296 PolarHBondContact O-N 3.17Å; Q296-A298 PolarHBondContact O-N 3.24Å
297	K	90.4	Very high	93.3	Very high	171 Å²	171	53.8 Å²	53.8	74%	0.743	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	47.7	-176	-59.1	-174.7	176.5	-173.6	0	112	H299	K297-H299 PolarHBondContact O-N 3.38Å
298	A	93.3	Very high	93.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-59	-43.3	177.3	0	0	0	0	0	109.4	D279 I281 M295 Q296 K323 W325	D279-A298 PolarHBondContact O-N 2.95Å; I281-A298 HydrophobicContact CB-CB 4.4Å; I281-A298 HydrophobicContact CD1-CB 3.96Å; I281-A298 HydrophobicContact CG1-CB 3.89Å; M295-A298 HydrophobicContact CB-CB 4.25Å; Q296-A298 PolarHBondContact O-N 3.24Å; A298-K323 WeakPolarHBondContact O-CD 3.32Å; A298-K323 PolarHBondContact O-NZ 3.44Å; A298-W325 HydrophobicContact CB-CH2 3.97Å; A298-W325 HydrophobicContact CB-CZ2 3.79Å; A298-W325 WeakPolarHBondContact O-CH2 3.2Å; A298-W325 WeakPolarHBondContact O-CZ2 3.34Å
299	H	95.6	Very high	92.8	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.246	C	C	.	.	S	Bend	trans	-121.6	167.5	172.4	-81	-88.1	0	0	0	111.3	D279 K297 A301 V303 S315 S317 D319 T321	D279-H299 PolarHBondContact O-N 3.07Å; K297-H299 PolarHBondContact O-N 3.38Å; H299-A301 WeakPolarHBondContact CB-O 3.34Å; H299-V303 HydrophobicContact CB-CG2 4.25Å; H299-S315 PolarHBondContact CD2-OG 2.94Å; H299-S315 PolarHBondContact NE2-OG 3.38Å; H299-S317 WeakPolarHBondContact CB-OG 3.03Å; H299-S317 WeakPolarHBondContact ND1-CB 3.34Å; H299-D319 VanDerWaalsContact CB-OD2 3.31Å; H299-D319 WeakPolarHBondContact CB-OD2 3.44Å; H299-D319 IonicContact CE1-OD1 2.62Å; H299-D319 IonicContact CE1-OD2 2.9Å; H299-D319 IonicContact CG-OD2 3.28Å; H299-D319 IonicContact ND1-OD1 2.69Å; H299-D319 PolarHBondContact ND1-OD1 2.92Å; H299-D319 IonicContact ND1-OD2 3.17Å; H299-D319 PolarHBondContact ND1-OD2 3.4Å; H299-T321 PolarHBondContact CE1-OG1 2.79Å; H299-T321 PolarHBondContact ND1-OG1 3.26Å
300	D	94.1	Very high	92.4	Very high	133 Å²	133	51 Å²	51	71%	0.711	27%	0.274	S	S	*	.	S	Bend	trans	-86.3	-1.8	174.1	-62.6	-41.7	0	0	0	112	D319	D300-D319 HydrophobicContact CB-CB 4.15Å; D300-D319 PolarHBondContact N-OD2 2.82Å
301	A	95.9	Very high	92	Very high	25 Å²	25	57.3 Å²	57.3	21%	0.207	29%	0.289	C	S	.	.	S	Bend	trans	-156.9	175.9	174.4	0	0	0	0	0	110.7	D279 H299 V303 S317 L318 D319	D279-A301 WeakPolarHBondContact OD1-CA 3.4Å; H299-A301 WeakPolarHBondContact CB-O 3.34Å; A301-V303 PolarHBondContact O-N 3.5Å; A301-S317 PolarHBondContact O-OG 3.45Å; A301-L318 HydrophobicContact CB-CB 3.6Å; A301-D319 HydrophobicContact CB-CB 4.18Å
302	A	93.3	Very high	91.7	Very high	12 Å²	12	57.3 Å²	57.3	10%	0.099	29%	0.285	C	S	.	.			trans	-49.1	133.9	-172.2	0	0	0	0	0	114.3	L263 A277 D279 T304 S317 L318	L263-A302 HydrophobicContact CD1-CB 3.93Å; A277-A302 HydrophobicContact CB-CB 4.16Å; D279-A302 WeakPolarHBondContact OD1-CA 3.35Å; D279-A302 PolarHBondContact OD1-N 2.86Å; A302-T304 PolarHBondContact O-N 3.42Å; A302-S317 VanDerWaalsContact O-CA 3.3Å; A302-S317 WeakPolarHBondContact O-CA 3.45Å; A302-S317 WeakPolarHBondContact O-CB 3.48Å; A302-S317 PolarHBondContact O-OG 3.38Å; A302-L318 HydrophobicContact CB-CD1 4.04Å; A302-L318 HydrophobicContact CB-CD2 4.19Å; A302-L318 PolarHBondContact O-N 2.88Å
303	V	94.2	Very high	91.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	111.5	177.8	-173.4	0	0	0	0	109.2	L263 S276 I281 H299 A301	L263-V303 WeakPolarHBondContact CB-O 3.29Å; S276-V303 PolarHBondContact O-N 2.6Å; I281-V303 HydrophobicContact CD1-CG1 4.44Å; I281-V303 HydrophobicContact CG1-CG1 4.23Å; I281-V303 HydrophobicContact CG1-CG2 4.14Å; H299-V303 HydrophobicContact CB-CG2 4.25Å; A301-V303 PolarHBondContact O-N 3.5Å
304	T	88.8	Confident	91.4	Very high	23 Å²	23	51.6 Å²	51.6	14%	0.141	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-28.9	-170.5	47.3	0	0	0	0	114.3	C264 A302 G316 L318 V347 V348	C264-T304 WeakPolarHBondContact CB-O 3.47Å; A302-T304 PolarHBondContact O-N 3.42Å; T304-G316 PolarHBondContact N-O 3.5Å; T304-G316 PolarHBondContact OG1-O 3.41Å; T304-G316 VanDerWaalsContact OG1-O 3.12Å; T304-L318 HydrophobicContact CG2-CD1 3.09Å; T304-V347 HydrophobicContact CG2-CG1 4.4Å; T304-V348 WeakPolarHBondContact CB-O 3.31Å; T304-V348 PolarHBondContact OG1-O 2.85Å
305	C	86.9	Confident	91.2	Very high	11 Å²	11	49.4 Å²	49.4	7%	0.074	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	148.2	-177.2	53.2	0	0	0	0	109.8	C264 S315 G316 L351	C264-C305 PolarHBondContact SG-N 3.35Å; C305-S315 WeakPolarHBondContact O-CA 3.32Å; C305-G316 PolarHBondContact N-O 2.95Å; C305-G316 PolarHBondContact O-N 3.47Å; C305-L351 HydrophobicContact CB-CD2 4.4Å; C305-L351 HydrophobicContact CB-CG 4.33Å
306	L	91.1	Very high	91	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	157	175.6	66.8	84.8	0	0	0	111.2	C264 Q266 V273 G275 V314	C264-L306 HydrophobicContact CB-CG 4.32Å; Q266-L306 HydrophobicContact CB-CD1 3.67Å; Q266-L306 HydrophobicContact CG-CD1 3.68Å; V273-L306 HydrophobicContact CB-CD1 4.21Å; V273-L306 HydrophobicContact CG1-CD1 4.04Å; V273-L306 HydrophobicContact CG1-CD2 4.1Å; G275-L306 VanDerWaalsContact N-CD2 3.31Å; L306-V314 CarbonylContact C-O 3.57Å; L306-V314 WeakPolarHBondContact CA-O 3.37Å
307	Q	89.9	Confident	91	Very high	41 Å²	41	42.4 Å²	42.4	19%	0.192	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151	167.7	-75.6	-65.3	-33.4	0	0	108.1	I313 V314 L351 A353	Q307-I313 CarbonylContact O-C 3.54Å; Q307-I313 WeakPolarHBondContact O-CA 3.29Å; Q307-V314 PolarHBondContact N-O 3.36Å; Q307-V314 PolarHBondContact O-N 3.47Å; Q307-L351 HydrophobicContact CB-CD1 3.62Å; Q307-L351 HydrophobicContact CG-CD1 3.48Å; Q307-L351 VanDerWaalsContact CG-CD1 3.48Å; Q307-A353 HydrophobicContact CB-CB 3.95Å
308	F	88.3	Confident	91.2	Very high	29 Å²	29	37.8 Å²	37.8	13%	0.127	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	162	173.5	84.9	-77.4	0	0	0	111.8	Q266 D268 V273 Q312 I313 V327	Q266-F308 HydrophobicContact CB-CD1 3.44Å; Q266-F308 VanDerWaalsContact CB-CD1 3.44Å; Q266-F308 HydrophobicContact CB-CE1 3.51Å; Q266-F308 HydrophobicContact CG-CD1 4.39Å; D268-F308 HydrophobicContact CB-CE2 4.26Å; D268-F308 HydrophobicContact CB-CZ 3.81Å; D268-F308 VanDerWaalsContact OD2-CE2 3.25Å; D268-F308 WeakPolarHBondContact OD2-CE2 3.43Å; V273-F308 HydrophobicContact CB-CD1 4.06Å; V273-F308 HydrophobicContact CB-CE1 4.4Å; V273-F308 HydrophobicContact CB-CG 4.39Å; V273-F308 HydrophobicContact CG2-CB 4.31Å; V273-F308 HydrophobicContact CG2-CD1 3.74Å; V273-F308 HydrophobicContact CG2-CD2 3.94Å; V273-F308 HydrophobicContact CG2-CE1 3.97Å; V273-F308 HydrophobicContact CG2-CE2 4.16Å; V273-F308 HydrophobicContact CG2-CG 3.72Å; V273-F308 HydrophobicContact CG2-CZ 4.17Å; F308-Q312 CarbonylContact C-O 3.46Å; F308-Q312 VanDerWaalsContact CA-O 3.24Å; F308-Q312 WeakPolarHBondContact CA-O 3.46Å; F308-I313 HydrophobicContact CB-CB 4.32Å; F308-I313 HydrophobicContact CB-CG1 3.84Å; F308-V327 HydrophobicContact CD2-CG2 4.23Å
309	N	84.3	Confident	91.2	Very high	54 Å²	54	39.3 Å²	39.3	29%	0.289	20%	0.197	S	C	.	.			trans	-142.1	-174.3	168.4	64.4	28.3	0	0	0	109	R311 Q312	N309-R311 PolarHBondContact O-N 2.76Å; N309-R311 WeakPolarHBondContact OD1-CA 3.29Å; N309-R311 PolarHBondContact OD1-N 2.81Å; N309-Q312 PolarHBondContact N-O 3.1Å; N309-Q312 PolarHBondContact O-N 3.11Å; N309-Q312 PolarHBondContact OD1-N 2.69Å
310	D	84.1	Confident	90.9	Very high	134 Å²	134	40.6 Å²	40.6	72%	0.717	21%	0.206	S	C	*	.	S	Bend	trans	-55.9	-15.3	-179.3	-52.7	-22.6	0	0	0	115.4	V327	D310-V327 VanDerWaalsContact O-CG1 3.25Å; D310-V327 WeakPolarHBondContact O-CG1 3.42Å
311	R	86.1	Confident	90.8	Very high	204 Å²	204	35.1 Å²	35.1	77%	0.77	18%	0.178	S	C	*	.	S	Bend	trans	-112.9	-42.2	-176	-63.2	-175.3	179.9	-175.1	-1	113.3	N309 V327	N309-R311 PolarHBondContact O-N 2.76Å; N309-R311 WeakPolarHBondContact OD1-CA 3.29Å; N309-R311 PolarHBondContact OD1-N 2.81Å; R311-V327 PolarHBondContact O-N 2.72Å; R311-V327 VanDerWaalsContact O-N 3.11Å
312	Q	90.6	Very high	90.6	Very high	45 Å²	45	34.2 Å²	34.2	21%	0.21	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.9	-167.2	66.6	-177.2	-0.2	0	0	113.7	F308 N309 V314 W325	F308-Q312 CarbonylContact C-O 3.46Å; F308-Q312 VanDerWaalsContact CA-O 3.24Å; F308-Q312 WeakPolarHBondContact CA-O 3.46Å; N309-Q312 PolarHBondContact N-O 3.1Å; N309-Q312 PolarHBondContact O-N 3.11Å; N309-Q312 PolarHBondContact OD1-N 2.69Å; Q312-V314 HydrophobicContact CG-CG2 4.47Å; Q312-W325 CarbonylContact C-O 3.43Å; Q312-W325 WeakPolarHBondContact CA-O 3.49Å; Q312-W325 WeakPolarHBondContact CB-O 3.48Å
313	I	93.2	Very high	90.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.5	164.5	-55.8	163.5	0	0	0	107.5	V273 I281 V283 M295 Q307 F308 F324 W325 V327	V273-I313 HydrophobicContact CG1-CD1 3.89Å; V273-I313 HydrophobicContact CG1-CG1 4.24Å; V273-I313 HydrophobicContact CG1-CG2 4.18Å; V273-I313 HydrophobicContact CG2-CD1 4.46Å; I281-I313 HydrophobicContact CG2-CD1 4.46Å; V283-I313 HydrophobicContact CG2-CD1 4.11Å; M295-I313 HydrophobicContact SD-CD1 4.15Å; Q307-I313 CarbonylContact O-C 3.54Å; Q307-I313 WeakPolarHBondContact O-CA 3.29Å; F308-I313 HydrophobicContact CB-CB 4.32Å; F308-I313 HydrophobicContact CB-CG1 3.84Å; I313-F324 CarbonylContact O-C 3.56Å; I313-F324 WeakPolarHBondContact O-CA 3.49Å; I313-W325 HydrophobicContact CB-CB 4.19Å; I313-W325 PolarHBondContact N-O 3.39Å; I313-W325 PolarHBondContact O-N 2.92Å; I313-V327 HydrophobicContact CD1-CG2 4.16Å; I313-V327 HydrophobicContact CG1-CB 4.18Å; I313-V327 HydrophobicContact CG1-CG2 3.97Å
314	V	92.8	Very high	90.5	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.3	172.3	-174.9	0	0	0	0	107.7	L306 Q307 Q312 I322 K323 F324 L351 A353 I358	L306-V314 CarbonylContact C-O 3.57Å; L306-V314 WeakPolarHBondContact CA-O 3.37Å; Q307-V314 PolarHBondContact N-O 3.36Å; Q307-V314 PolarHBondContact O-N 3.47Å; Q312-V314 HydrophobicContact CG-CG2 4.47Å; V314-I322 HydrophobicContact CG1-CG2 3.58Å; V314-K323 WeakPolarHBondContact CA-O 3.27Å; V314-F324 HydrophobicContact CG1-CZ 4.48Å; V314-F324 HydrophobicContact CG2-CD1 4.01Å; V314-F324 HydrophobicContact CG2-CE1 4.03Å; V314-L351 HydrophobicContact CB-CD1 4.22Å; V314-L351 HydrophobicContact CG1-CD1 4.04Å; V314-L351 HydrophobicContact CG1-CD2 4.26Å; V314-A353 HydrophobicContact CB-CB 4.3Å; V314-A353 HydrophobicContact CG2-CB 4.04Å; V314-I358 HydrophobicContact CG1-CD1 4.24Å; V314-I358 HydrophobicContact CG1-CG2 4.43Å; V314-I358 HydrophobicContact CG2-CD1 4.18Å
315	S	92.9	Very high	90.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.1	-175.5	58.3	0	0	0	0	112	H299 C305 I322 K323 W325	H299-S315 PolarHBondContact CD2-OG 2.94Å; H299-S315 PolarHBondContact NE2-OG 3.38Å; C305-S315 WeakPolarHBondContact O-CA 3.32Å; S315-I322 CarbonylContact O-C 3.57Å; S315-I322 WeakPolarHBondContact O-CA 3.33Å; S315-I322 WeakPolarHBondContact O-CG2 3.26Å; S315-K323 PolarHBondContact N-O 3.17Å; S315-K323 PolarHBondContact O-N 2.93Å; S315-W325 PolarHBondContact OG-NE1 2.94Å
316	G	92.1	Very high	91	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	150.9	171.9	0	0	0	0	0	111	T304 C305 L351	T304-G316 PolarHBondContact N-O 3.5Å; T304-G316 PolarHBondContact OG1-O 3.41Å; T304-G316 VanDerWaalsContact OG1-O 3.12Å; C305-G316 PolarHBondContact N-O 2.95Å; C305-G316 PolarHBondContact O-N 3.47Å; G316-L351 VanDerWaalsContact N-CD2 3.32Å
317	S	94.2	Very high	91	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	167	-171.8	168.1	0	0	0	0	113.8	H299 A301 A302 D319 C320 T321 V348	H299-S317 WeakPolarHBondContact CB-OG 3.03Å; H299-S317 WeakPolarHBondContact ND1-CB 3.34Å; A301-S317 PolarHBondContact O-OG 3.45Å; A302-S317 VanDerWaalsContact O-CA 3.3Å; A302-S317 WeakPolarHBondContact O-CA 3.45Å; A302-S317 WeakPolarHBondContact O-CB 3.48Å; A302-S317 PolarHBondContact O-OG 3.38Å; S317-D319 WeakPolarHBondContact CB-OD1 3.49Å; S317-D319 PolarHBondContact O-N 3.37Å; S317-D319 PolarHBondContact OG-N 3.01Å; S317-D319 PolarHBondContact OG-OD1 3.31Å; S317-C320 PolarHBondContact O-N 2.95Å; S317-T321 PolarHBondContact N-O 3.16Å; S317-V348 PolarHBondContact O-N 3.29Å
318	L	93.8	Very high	91.1	Very high	73 Å²	73	44.9 Å²	44.9	38%	0.382	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.6	163.2	-90.2	65.6	0	0	0	113.3	A301 A302 T304 C320 V347	A301-L318 HydrophobicContact CB-CB 3.6Å; A302-L318 HydrophobicContact CB-CD1 4.04Å; A302-L318 HydrophobicContact CB-CD2 4.19Å; A302-L318 PolarHBondContact O-N 2.88Å; T304-L318 HydrophobicContact CG2-CD1 3.09Å; L318-C320 PolarHBondContact O-N 2.79Å; L318-C320 VanDerWaalsContact O-N 3.09Å; L318-V347 HydrophobicContact CB-CG1 4.4Å; L318-V347 HydrophobicContact CD1-CG1 3.75Å; L318-V347 HydrophobicContact CG-CG1 3.93Å; L318-V347 HydrophobicContact CG-CG2 4.23Å
319	D	92.9	Very high	91.3	Very high	32 Å²	32	47 Å²	47	17%	0.171	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	5.6	176.4	72.3	13.1	0	0	0	113.8	H299 D300 A301 S317 T321	H299-D319 VanDerWaalsContact CB-OD2 3.31Å; H299-D319 WeakPolarHBondContact CB-OD2 3.44Å; H299-D319 IonicContact CE1-OD1 2.62Å; H299-D319 IonicContact CE1-OD2 2.9Å; H299-D319 IonicContact CG-OD2 3.28Å; H299-D319 IonicContact ND1-OD1 2.69Å; H299-D319 PolarHBondContact ND1-OD1 2.92Å; H299-D319 IonicContact ND1-OD2 3.17Å; H299-D319 PolarHBondContact ND1-OD2 3.4Å; D300-D319 HydrophobicContact CB-CB 4.15Å; D300-D319 PolarHBondContact N-OD2 2.82Å; A301-D319 HydrophobicContact CB-CB 4.18Å; S317-D319 WeakPolarHBondContact CB-OD1 3.49Å; S317-D319 PolarHBondContact O-N 3.37Å; S317-D319 PolarHBondContact OG-N 3.01Å; S317-D319 PolarHBondContact OG-OD1 3.31Å; D319-T321 VanDerWaalsContact CG-OG1 3.26Å; D319-T321 PolarHBondContact O-N 3.23Å; D319-T321 WeakPolarHBondContact OD1-CA 3.3Å; D319-T321 VanDerWaalsContact OD1-CB 3.31Å; D319-T321 WeakPolarHBondContact OD1-CB 3.36Å; D319-T321 PolarHBondContact OD1-N 3.18Å; D319-T321 PolarHBondContact OD1-OG1 3.05Å; D319-T321 PolarHBondContact OD2-OG1 3.4Å
320	C	90.2	Very high	91.7	Very high	29 Å²	29	45.2 Å²	45.2	20%	0.196	22%	0.215	C	C	.	.	S	Bend	trans	67	7.8	-179.6	-50.2	0	0	0	0	114.5	S317 L318 G346	S317-C320 PolarHBondContact O-N 2.95Å; L318-C320 PolarHBondContact O-N 2.79Å; L318-C320 VanDerWaalsContact O-N 3.09Å; C320-G346 WeakPolarHBondContact CB-O 3.16Å
321	T	91	Very high	92.1	Very high	18 Å²	18	47.6 Å²	47.6	11%	0.11	21%	0.214	C	C	.	.			trans	-103.3	157.9	179.9	74.9	0	0	0	0	112.6	H299 S317 D319 T335 D337	H299-T321 PolarHBondContact CE1-OG1 2.79Å; H299-T321 PolarHBondContact ND1-OG1 3.26Å; S317-T321 PolarHBondContact N-O 3.16Å; D319-T321 VanDerWaalsContact CG-OG1 3.26Å; D319-T321 PolarHBondContact O-N 3.23Å; D319-T321 WeakPolarHBondContact OD1-CA 3.3Å; D319-T321 VanDerWaalsContact OD1-CB 3.31Å; D319-T321 WeakPolarHBondContact OD1-CB 3.36Å; D319-T321 PolarHBondContact OD1-N 3.18Å; D319-T321 PolarHBondContact OD1-OG1 3.05Å; D319-T321 PolarHBondContact OD2-OG1 3.4Å; T321-T335 HydrophobicContact CG2-CG2 4.2Å; T321-D337 HydrophobicContact CG2-CB 4.2Å
322	I	92.5	Very high	92.4	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.6	164.8	-60	168.5	0	0	0	108	V314 S315 F324 T335 L336 V348 S360	V314-I322 HydrophobicContact CG1-CG2 3.58Å; S315-I322 CarbonylContact O-C 3.57Å; S315-I322 WeakPolarHBondContact O-CA 3.33Å; S315-I322 WeakPolarHBondContact O-CG2 3.26Å; I322-F324 HydrophobicContact CG2-CE2 4.25Å; I322-T335 CarbonylContact O-C 3.5Å; I322-L336 HydrophobicContact CB-CB 4.09Å; I322-L336 HydrophobicContact CB-CD1 4.4Å; I322-L336 HydrophobicContact CG2-CD1 4.45Å; I322-L336 PolarHBondContact N-O 3.23Å; I322-L336 PolarHBondContact O-N 3.33Å; I322-V348 HydrophobicContact CD1-CG1 4.37Å; I322-V348 HydrophobicContact CG1-CG1 4.18Å; I322-V348 HydrophobicContact CG1-CG2 4.02Å; I322-S360 VanDerWaalsContact CD1-CB 3.42Å; I322-S360 VanDerWaalsContact CD1-OG 3.26Å; I322-S360 WeakPolarHBondContact CD1-OG 3.23Å
323	K	93	Very high	92.3	Very high	24 Å²	24	46.9 Å²	46.9	10%	0.104	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	151.3	-178.6	-68.5	-179	-174.2	-178.5	0	111.7	A298 V314 S315 W325 T335	A298-K323 WeakPolarHBondContact O-CD 3.32Å; A298-K323 PolarHBondContact O-NZ 3.44Å; V314-K323 WeakPolarHBondContact CA-O 3.27Å; S315-K323 PolarHBondContact N-O 3.17Å; S315-K323 PolarHBondContact O-N 2.93Å; K323-W325 HydrophobicContact CB-CZ2 3.58Å; K323-W325 HydrophobicContact CD-CH2 4Å; K323-W325 HydrophobicContact CD-CZ2 3.54Å; K323-W325 HydrophobicContact CG-CZ2 4.19Å; K323-T335 HydrophobicContact CG-CG2 3.99Å
324	F	92.6	Very high	92	Very high	13 Å²	13	49.3 Å²	49.3	6%	0.057	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.3	-178.6	-66.5	-107.5	0	0	0	109	I313 V314 I322 L333 N334 L336 I358	I313-F324 CarbonylContact O-C 3.56Å; I313-F324 WeakPolarHBondContact O-CA 3.49Å; V314-F324 HydrophobicContact CG1-CZ 4.48Å; V314-F324 HydrophobicContact CG2-CD1 4.01Å; V314-F324 HydrophobicContact CG2-CE1 4.03Å; I322-F324 HydrophobicContact CG2-CE2 4.25Å; F324-L333 HydrophobicContact CB-CB 4.02Å; F324-L333 PolarHBondContact O-N 3.35Å; F324-N334 HydrophobicContact CB-CB 4.29Å; F324-N334 HydrophobicContact CD2-CB 4.22Å; F324-N334 HydrophobicContact CG-CB 4.44Å; F324-N334 PolarHBondContact N-O 3.22Å; F324-L336 HydrophobicContact CE2-CD1 3.63Å; F324-L336 HydrophobicContact CE2-CG 3.77Å; F324-L336 HydrophobicContact CZ-CD1 3.87Å; F324-L336 HydrophobicContact CZ-CG 4.41Å; F324-I358 HydrophobicContact CD1-CD1 4.45Å; F324-I358 HydrophobicContact CE1-CD1 3.2Å; F324-I358 HydrophobicContact CZ-CD1 3.27Å
325	W	94.1	Very high	91.7	Very high	17 Å²	17	50.3 Å²	50.3	6%	0.064	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.1	-175.1	-43.1	91.6	0	0	0	110.7	M295 A298 Q312 I313 S315 K323 V327 R331 W332	M295-W325 HydrophobicContact CE-CB 3.56Å; M295-W325 HydrophobicContact CE-CD2 3.09Å; M295-W325 HydrophobicContact CE-CE3 3.05Å; M295-W325 HydrophobicContact CE-CG 3.31Å; M295-W325 HydrophobicContact CE-CH2 4.42Å; M295-W325 HydrophobicContact CE-CZ2 4.44Å; M295-W325 HydrophobicContact CE-CZ3 3.76Å; A298-W325 HydrophobicContact CB-CH2 3.97Å; A298-W325 HydrophobicContact CB-CZ2 3.79Å; A298-W325 WeakPolarHBondContact O-CH2 3.2Å; A298-W325 WeakPolarHBondContact O-CZ2 3.34Å; Q312-W325 CarbonylContact C-O 3.43Å; Q312-W325 WeakPolarHBondContact CA-O 3.49Å; Q312-W325 WeakPolarHBondContact CB-O 3.48Å; I313-W325 HydrophobicContact CB-CB 4.19Å; I313-W325 PolarHBondContact N-O 3.39Å; I313-W325 PolarHBondContact O-N 2.92Å; S315-W325 PolarHBondContact OG-NE1 2.94Å; K323-W325 HydrophobicContact CB-CZ2 3.58Å; K323-W325 HydrophobicContact CD-CH2 4Å; K323-W325 HydrophobicContact CD-CZ2 3.54Å; K323-W325 HydrophobicContact CG-CZ2 4.19Å; W325-V327 PolarHBondContact O-N 2.92Å; W325-R331 CarbonylContact C-O 3.52Å; W325-R331 VanDerWaalsContact CA-O 3.31Å; W325-R331 WeakPolarHBondContact CA-O 3.29Å; W325-W332 VanDerWaalsContact CE3-CA 3.44Å; W325-W332 HydrophobicContact CE3-CB 3.78Å; W325-W332 HydrophobicContact CH2-CB 4.43Å; W325-W332 HydrophobicContact CZ3-CB 3.57Å; W325-W332 HydrophobicContact CZ3-CG 4.24Å
326	D	91.7	Very high	91.2	Very high	45 Å²	45	51 Å²	51	24%	0.241	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	122	170.4	179.4	-69.6	0	0	0	109.2	R328 T329 G330 R331 L333	D326-R328 PolarHBondContact O-N 3.26Å; D326-R328 WeakPolarHBondContact OD1-CA 3.3Å; D326-R328 WeakPolarHBondContact OD1-CB 3.41Å; D326-R328 PolarHBondContact OD1-N 3.47Å; D326-T329 VanDerWaalsContact CB-OG1 3.31Å; D326-T329 WeakPolarHBondContact CB-OG1 3.29Å; D326-T329 PolarHBondContact OD1-N 3.39Å; D326-T329 PolarHBondContact OD1-OG1 2.87Å; D326-G330 VanDerWaalsContact O-CA 3.27Å; D326-G330 WeakPolarHBondContact O-CA 3.34Å; D326-G330 PolarHBondContact O-N 3.39Å; D326-R331 PolarHBondContact N-O 3Å; D326-L333 HydrophobicContact CB-CD1 4.21Å; D326-L333 HydrophobicContact CB-CD2 4.12Å; D326-L333 HydrophobicContact CB-CG 4.23Å
327	V	90.8	Very high	90.4	Very high	8 Å²	8	52.4 Å²	52.4	5%	0.048	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-25	-174	73	0	0	0	0	112.9	F308 D310 R311 I313 W325	F308-V327 HydrophobicContact CD2-CG2 4.23Å; D310-V327 VanDerWaalsContact O-CG1 3.25Å; D310-V327 WeakPolarHBondContact O-CG1 3.42Å; R311-V327 PolarHBondContact O-N 2.72Å; R311-V327 VanDerWaalsContact O-N 3.11Å; I313-V327 HydrophobicContact CD1-CG2 4.16Å; I313-V327 HydrophobicContact CG1-CB 4.18Å; I313-V327 HydrophobicContact CG1-CG2 3.97Å; W325-V327 PolarHBondContact O-N 2.92Å
328	R	91.8	Very high	89.1	Confident	209 Å²	209	59 Å²	59	79%	0.789	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-33	-175.5	-62.1	177.9	65.2	154.7	1.4	112.1	M293 D326	M293-R328 VanDerWaalsContact CE-O 3.23Å; M293-R328 WeakPolarHBondContact CE-O 3.5Å; D326-R328 PolarHBondContact O-N 3.26Å; D326-R328 WeakPolarHBondContact OD1-CA 3.3Å; D326-R328 WeakPolarHBondContact OD1-CB 3.41Å; D326-R328 PolarHBondContact OD1-N 3.47Å
329	T	92.9	Very high	87.1	Confident	74 Å²	74	58.9 Å²	58.9	45%	0.454	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-16.4	-173.8	62.7	0	0	0	0	113.6	D326 R331	D326-T329 VanDerWaalsContact CB-OG1 3.31Å; D326-T329 WeakPolarHBondContact CB-OG1 3.29Å; D326-T329 PolarHBondContact OD1-N 3.39Å; D326-T329 PolarHBondContact OD1-OG1 2.87Å; T329-R331 PolarHBondContact O-N 2.99Å; T329-R331 WeakPolarHBondContact OG1-CB 3.5Å; T329-R331 WeakPolarHBondContact OG1-CG 3.26Å; T329-R331 PolarHBondContact OG1-N 3.18Å
330	G	91.8	Very high	85.3	Confident	16 Å²	16	64.6 Å²	64.6	17%	0.165	30%	0.297	C	S	.	.			trans	69.1	9.7	-172.3	0	0	0	0	0	113.4	M293 D326	M293-G330 WeakPolarHBondContact SD-CA 3.41Å; M293-G330 PolarHBondContact SD-N 2.84Å; D326-G330 VanDerWaalsContact O-CA 3.27Å; D326-G330 WeakPolarHBondContact O-CA 3.34Å; D326-G330 PolarHBondContact O-N 3.39Å
331	R	92.7	Very high	83.9	Confident	184 Å²	184	67 Å²	67	69%	0.694	31%	0.305	S	S	*	.			trans	-73	135.8	-178.2	-72	-179.4	177.5	-169.2	0.5	110.3	W325 D326 T329 L333	W325-R331 CarbonylContact C-O 3.52Å; W325-R331 VanDerWaalsContact CA-O 3.31Å; W325-R331 WeakPolarHBondContact CA-O 3.29Å; D326-R331 PolarHBondContact N-O 3Å; T329-R331 PolarHBondContact O-N 2.99Å; T329-R331 WeakPolarHBondContact OG1-CB 3.5Å; T329-R331 WeakPolarHBondContact OG1-CG 3.26Å; T329-R331 PolarHBondContact OG1-N 3.18Å; R331-L333 PolarHBondContact O-N 3.5Å
332	W	93.4	Very high	82.7	Confident	146 Å²	146	69.6 Å²	69.6	55%	0.553	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.9	129.5	168.5	172.5	78.7	0	0	0	110.4	W325 N334 T335	W325-W332 VanDerWaalsContact CE3-CA 3.44Å; W325-W332 HydrophobicContact CE3-CB 3.78Å; W325-W332 HydrophobicContact CH2-CB 4.43Å; W325-W332 HydrophobicContact CZ3-CB 3.57Å; W325-W332 HydrophobicContact CZ3-CG 4.24Å; W332-N334 VanDerWaalsContact NE1-C 3.31Å; W332-N334 PolarHBondContact NE1-O 3.2Å; W332-T335 PolarHBondContact NE1-OG1 2.88Å
333	L	88.8	Confident	81.6	Confident	88 Å²	88	69.7 Å²	69.7	46%	0.461	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-47.9	179	-63.8	176.9	0	0	0	111.7	F324 D326 R331	F324-L333 HydrophobicContact CB-CB 4.02Å; F324-L333 PolarHBondContact O-N 3.35Å; D326-L333 HydrophobicContact CB-CD1 4.21Å; D326-L333 HydrophobicContact CB-CD2 4.12Å; D326-L333 HydrophobicContact CB-CG 4.23Å; R331-L333 PolarHBondContact O-N 3.5Å
334	N	87	Confident	80.8	Confident	52 Å²	52	68.7 Å²	68.7	28%	0.278	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	161.7	-175.4	-158.1	-5.6	0	0	0	111.7	F324 W332	F324-N334 HydrophobicContact CB-CB 4.29Å; F324-N334 HydrophobicContact CD2-CB 4.22Å; F324-N334 HydrophobicContact CG-CB 4.44Å; F324-N334 PolarHBondContact N-O 3.22Å; W332-N334 VanDerWaalsContact NE1-C 3.31Å; W332-N334 PolarHBondContact NE1-O 3.2Å
335	T	86.1	Confident	80.1	Confident	23 Å²	23	72.6 Å²	72.6	14%	0.141	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.8	173.7	-56.9	0	0	0	0	109.5	T321 I322 K323 W332 D337 H341	T321-T335 HydrophobicContact CG2-CG2 4.2Å; I322-T335 CarbonylContact O-C 3.5Å; K323-T335 HydrophobicContact CG-CG2 3.99Å; W332-T335 PolarHBondContact NE1-OG1 2.88Å; T335-D337 HydrophobicContact CG2-CB 4.22Å; T335-H341 PolarHBondContact O-CD2 3.17Å; T335-H341 PolarHBondContact O-NE2 2.89Å
336	L	82.6	Confident	79.4	Confident	15 Å²	15	72.4 Å²	72.4	8%	0.079	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	99.6	163.8	-72.7	174	0	0	0	108.5	I322 F324 H341 R370	I322-L336 HydrophobicContact CB-CB 4.09Å; I322-L336 HydrophobicContact CB-CD1 4.4Å; I322-L336 HydrophobicContact CG2-CD1 4.45Å; I322-L336 PolarHBondContact N-O 3.23Å; I322-L336 PolarHBondContact O-N 3.33Å; F324-L336 HydrophobicContact CE2-CD1 3.63Å; F324-L336 HydrophobicContact CE2-CG 3.77Å; F324-L336 HydrophobicContact CZ-CD1 3.87Å; F324-L336 HydrophobicContact CZ-CG 4.41Å; L336-H341 HydrophobicContact CD2-CB 3.48Å; L336-H341 VanDerWaalsContact CD2-CB 3.48Å; L336-R370 VanDerWaalsContact CD2-NH1 3.27Å
337	D	74.6	Confident	79.2	Confident	29 Å²	29	71.4 Å²	71.4	16%	0.155	34%	0.338	C	S	.	.			trans	-108.1	165	173.6	67.5	42.6	0	0	0	111.2	T321 T335 V339 K340 H341 E342 G343	T321-D337 HydrophobicContact CG2-CB 4.2Å; T335-D337 HydrophobicContact CG2-CB 4.22Å; D337-V339 PolarHBondContact O-N 3.08Å; D337-V339 WeakPolarHBondContact OD1-CA 3.47Å; D337-V339 PolarHBondContact OD1-N 3.41Å; D337-K340 WeakPolarHBondContact OD1-CB 3.39Å; D337-K340 PolarHBondContact OD1-N 2.96Å; D337-H341 CarbonylContact O-C 3.52Å; D337-H341 PolarHBondContact O-N 2.97Å; D337-H341 VanDerWaalsContact O-N 3.1Å; D337-E342 PolarHBondContact O-N 3.4Å; D337-G343 WeakPolarHBondContact O-CA 3.22Å; D337-G343 PolarHBondContact O-N 3.38Å
338	W	67.2	Low	78.9	Confident	138 Å²	138	71 Å²	71	52%	0.523	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.4	179.9	70.9	-92	0	0	0	113.6	T345	W338-T345 HydrophobicContact CB-CG2 4.06Å
339	V	51.1	Low	78.4	Confident	71 Å²	71	66.4 Å²	66.4	43%	0.43	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-52.4	-173.4	-178	0	0	0	0	110.9	D337 K433	D337-V339 PolarHBondContact O-N 3.08Å; D337-V339 WeakPolarHBondContact OD1-CA 3.47Å; D337-V339 PolarHBondContact OD1-N 3.41Å; V339-K433 PolarHBondContact O-NZ 3.44Å
340	K	56.1	Low	77.8	Confident	151 Å²	151	66.3 Å²	66.3	66%	0.657	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-34.1	-172	-64.2	-179.3	-179.9	176.3	0	112.3	D337	D337-K340 WeakPolarHBondContact OD1-CB 3.39Å; D337-K340 PolarHBondContact OD1-N 2.96Å
341	H	60.9	Low	77.3	Confident	79 Å²	79	66.2 Å²	66.2	37%	0.366	32%	0.315	S	S	.	.	S	Bend	trans	-125.5	12.1	-166.2	-59.4	-62.6	0	0	0	114.9	T335 L336 D337 G343	T335-H341 PolarHBondContact O-CD2 3.17Å; T335-H341 PolarHBondContact O-NE2 2.89Å; L336-H341 HydrophobicContact CD2-CB 3.48Å; L336-H341 VanDerWaalsContact CD2-CB 3.48Å; D337-H341 CarbonylContact O-C 3.52Å; D337-H341 PolarHBondContact O-N 2.97Å; D337-H341 VanDerWaalsContact O-N 3.1Å; H341-G343 PolarHBondContact O-N 2.65Å
342	E	64.6	Low	76.8	Confident	74 Å²	74	61.1 Å²	61.1	35%	0.346	30%	0.299	S	S	.	.			trans	51.5	36.6	-172.9	-49.6	-159.3	125.2	0	0	112.1	D337 K368 R437 A461	D337-E342 PolarHBondContact O-N 3.4Å; E342-K368 WeakPolarHBondContact O-CD 3.05Å; E342-K368 PolarHBondContact O-NZ 3.28Å; E342-R437 IonicContact OE1-NE 3.44Å; E342-R437 IonicContact OE1-NH2 3.43Å; E342-R437 PolarHBondContact OE1-NH2 2.8Å; E342-A461 VanDerWaalsContact OE1-CB 3.24Å; E342-A461 WeakPolarHBondContact OE1-CB 3.39Å
343	G	69.7	Low	76	Confident	8 Å²	8	55.3 Å²	55.3	8%	0.082	28%	0.282	C	S	.	.			trans	-64.6	-177.1	170.6	0	0	0	0	0	112.8	D337 H341 K368	D337-G343 WeakPolarHBondContact O-CA 3.22Å; D337-G343 PolarHBondContact O-N 3.38Å; H341-G343 PolarHBondContact O-N 2.65Å; G343-K368 VanDerWaalsContact C-NZ 3.3Å; G343-K368 PolarHBondContact O-NZ 2.87Å
344	H	77.3	Confident	75	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.009	27%	0.271	C	S	.	.			trans	-67.6	145	-174.6	-71	-69.9	0	0	0	112.7	G346 V348 S360 A362 D364 T366	H344-G346 WeakPolarHBondContact CB-O 3.17Å; H344-V348 HydrophobicContact CB-CG2 4.16Å; H344-S360 WeakPolarHBondContact NE2-CB 3.3Å; H344-S360 PolarHBondContact NE2-OG 3.48Å; H344-A362 HydrophobicContact CB-CB 3.78Å; H344-A362 WeakPolarHBondContact ND1-CB 3.31Å; H344-D364 VanDerWaalsContact CA-OD2 3.27Å; H344-D364 WeakPolarHBondContact CA-OD2 3.41Å; H344-D364 WeakPolarHBondContact CB-OD2 3.41Å; H344-D364 IonicContact CG-OD2 3.28Å; H344-D364 IonicContact ND1-OD1 2.77Å; H344-D364 PolarHBondContact ND1-OD1 2.69Å; H344-D364 IonicContact ND1-OD2 3.16Å; H344-D364 PolarHBondContact ND1-OD2 3.11Å; H344-T366 PolarHBondContact CE1-OG1 3.4Å; H344-T366 PolarHBondContact ND1-OG1 2.98Å; H344-T366 VanDerWaalsContact ND1-OG1 3.17Å
345	T	77.6	Confident	73.9	Confident	96 Å²	96	55.3 Å²	55.3	59%	0.589	29%	0.29	S	S	*	.	S	Bend	trans	-99.7	7	173.2	59.2	0	0	0	0	112.1	W338 D364	W338-T345 HydrophobicContact CB-CG2 4.06Å; T345-D364 PolarHBondContact N-OD2 3.21Å; T345-D364 VanDerWaalsContact OG1-CB 3.3Å; T345-D364 WeakPolarHBondContact OG1-CB 3.22Å
346	G	78.7	Confident	72.9	Confident	12 Å²	12	59.3 Å²	59.3	12%	0.124	30%	0.303	C	S	.	.	S	Bend	trans	-142.9	175.1	177.4	0	0	0	0	0	110.1	C320 H344 V348	C320-G346 WeakPolarHBondContact CB-O 3.16Å; H344-G346 WeakPolarHBondContact CB-O 3.17Å; G346-V348 PolarHBondContact O-N 3.44Å
347	V	86.9	Confident	72.4	Confident	25 Å²	25	63.7 Å²	63.7	15%	0.152	32%	0.318	C	S	.	.			trans	-59.7	128	-174.8	179.5	0	0	0	0	111	T304 L318 R349 A362 D363	T304-V347 HydrophobicContact CG2-CG1 4.4Å; L318-V347 HydrophobicContact CB-CG1 4.4Å; L318-V347 HydrophobicContact CD1-CG1 3.75Å; L318-V347 HydrophobicContact CG-CG1 3.93Å; L318-V347 HydrophobicContact CG-CG2 4.23Å; V347-R349 PolarHBondContact O-N 3.41Å; V347-A362 CarbonylContact O-C 3.49Å; V347-A362 WeakPolarHBondContact O-CA 3.48Å; V347-A362 WeakPolarHBondContact O-CB 3.33Å; V347-D363 HydrophobicContact CB-CB 4.49Å; V347-D363 PolarHBondContact O-N 3.47Å
348	V	85.2	Confident	72.6	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	122.7	173.8	-169.7	0	0	0	0	108	T304 S317 I322 H344 G346	T304-V348 WeakPolarHBondContact CB-O 3.31Å; T304-V348 PolarHBondContact OG1-O 2.85Å; S317-V348 PolarHBondContact O-N 3.29Å; I322-V348 HydrophobicContact CD1-CG1 4.37Å; I322-V348 HydrophobicContact CG1-CG1 4.18Å; I322-V348 HydrophobicContact CG1-CG2 4.02Å; H344-V348 HydrophobicContact CB-CG2 4.16Å; G346-V348 PolarHBondContact O-N 3.44Å
349	R	81.4	Confident	73.2	Confident	112 Å²	112	58 Å²	58	42%	0.423	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-33.4	-175.3	-64.8	-61.4	-179.6	-156.7	-2.7	112.7	V347 G361 D363	V347-R349 PolarHBondContact O-N 3.41Å; R349-G361 PolarHBondContact N-O 2.97Å; R349-D363 WeakPolarHBondContact CG-OD1 3.49Å; R349-D363 IonicContact CZ-OD1 3.4Å; R349-D363 IonicContact CZ-OD2 2.83Å; R349-D363 VanDerWaalsContact CZ-OD2 3.28Å; R349-D363 VanDerWaalsContact NE-CG 3.33Å; R349-D363 IonicContact NE-OD1 2.65Å; R349-D363 PolarHBondContact NE-OD1 3.06Å; R349-D363 IonicContact NE-OD2 3.7Å; R349-D363 PolarHBondContact NE-OD2 3.13Å; R349-D363 VanDerWaalsContact NE-OD2 3.16Å; R349-D363 IonicContact NH2-OD1 3.21Å; R349-D363 IonicContact NH2-OD2 3.69Å; R349-D363 PolarHBondContact NH2-OD2 3.09Å
350	C	80.8	Confident	74.4	Confident	71 Å²	71	55 Å²	55	48%	0.48	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.8	180	57.1	0	0	0	0	110.1	S360 G361	C350-S360 WeakPolarHBondContact O-CA 3.5Å; C350-G361 PolarHBondContact N-O 3.38Å; C350-G361 PolarHBondContact O-N 3.12Å
351	L	81.5	Confident	75.5	Confident	15 Å²	15	48.1 Å²	48.1	8%	0.079	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	148.8	170.1	72.4	89.9	0	0	0	109.9	C305 Q307 V314 G316 A353 V359	C305-L351 HydrophobicContact CB-CD2 4.4Å; C305-L351 HydrophobicContact CB-CG 4.33Å; Q307-L351 HydrophobicContact CB-CD1 3.62Å; Q307-L351 HydrophobicContact CG-CD1 3.48Å; Q307-L351 VanDerWaalsContact CG-CD1 3.48Å; V314-L351 HydrophobicContact CB-CD1 4.22Å; V314-L351 HydrophobicContact CG1-CD1 4.04Å; V314-L351 HydrophobicContact CG1-CD2 4.26Å; G316-L351 VanDerWaalsContact N-CD2 3.32Å; L351-A353 HydrophobicContact CD1-CB 4.5Å; L351-V359 CarbonylContact C-O 3.56Å; L351-V359 VanDerWaalsContact CA-O 3.24Å; L351-V359 WeakPolarHBondContact CA-O 3.2Å
352	Q	80.7	Confident	76.3	Confident	77 Å²	77	45.1 Å²	45.1	36%	0.36	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.8	169	-173.5	170.3	-8.3	0	0	108	I358 V359	Q352-I358 CarbonylContact O-C 3.56Å; Q352-I358 VanDerWaalsContact O-CA 3.32Å; Q352-I358 WeakPolarHBondContact O-CA 3.27Å; Q352-V359 PolarHBondContact N-O 3.32Å; Q352-V359 PolarHBondContact O-N 2.85Å
353	A	77.4	Confident	77.1	Confident	24 Å²	24	45.3 Å²	45.3	20%	0.198	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.2	-179.1	0	0	0	0	0	108.8	Q307 V314 L351 I358	Q307-A353 HydrophobicContact CB-CB 3.95Å; V314-A353 HydrophobicContact CB-CB 4.3Å; V314-A353 HydrophobicContact CG2-CB 4.04Å; L351-A353 HydrophobicContact CD1-CB 4.5Å; A353-I358 HydrophobicContact CB-CG1 3.83Å
354	D	67.5	Low	77.3	Confident	43 Å²	43	46.4 Å²	46.4	23%	0.23	25%	0.25	C	C	.	.			trans	-119.1	-168.2	167.5	65.7	33.6	0	0	0	109.6	W356 R357	D354-W356 PolarHBondContact O-N 3.45Å; D354-W356 PolarHBondContact OD1-N 3.07Å; D354-W356 PolarHBondContact OD1-NE1 2.64Å; D354-W356 PolarHBondContact OD2-NE1 3.06Å; D354-R357 VanDerWaalsContact CG-CG 3.41Å; D354-R357 PolarHBondContact N-O 3.23Å; D354-R357 WeakPolarHBondContact OD1-CG 3.46Å; D354-R357 PolarHBondContact OD1-N 2.87Å; D354-R357 WeakPolarHBondContact OD2-CG 3.47Å; D354-R357 IonicContact OD2-CZ 3.73Å; D354-R357 IonicContact OD2-NE 3.39Å; D354-R357 PolarHBondContact OD2-NE 3.29Å; D354-R357 IonicContact OD2-NH2 3.51Å
355	S	65.1	Low	77.3	Confident	96 Å²	96	56 Å²	56	67%	0.671	29%	0.292	S	S	*	.	S	Bend	trans	-66.6	-18.3	-178.6	54.4	0	0	0	0	114.4
356	W	64.2	Low	76.8	Confident	108 Å²	108	53.8 Å²	53.8	41%	0.409	28%	0.278	S	S	.	.	S	Bend	trans	-134.2	-7.6	-170.2	69.6	-86.5	0	0	0	114.6	D354 I371 P372	D354-W356 PolarHBondContact O-N 3.45Å; D354-W356 PolarHBondContact OD1-N 3.07Å; D354-W356 PolarHBondContact OD1-NE1 2.64Å; D354-W356 PolarHBondContact OD2-NE1 3.06Å; W356-I371 HydrophobicContact CE3-CG1 4.38Å; W356-I371 HydrophobicContact CE3-CG2 4.39Å; W356-I371 HydrophobicContact CZ3-CD1 4.19Å; W356-I371 HydrophobicContact CZ3-CG1 4.21Å; W356-P372 WeakPolarHBondContact O-CD 3.5Å
357	R	72	Confident	76.7	Confident	106 Å²	106	60.2 Å²	60.2	40%	0.4	31%	0.307	S	S	.	.			trans	-151.4	159.5	176.5	58.7	170	176	-165.9	5.6	112.7	D354 R370 I371	D354-R357 VanDerWaalsContact CG-CG 3.41Å; D354-R357 PolarHBondContact N-O 3.23Å; D354-R357 WeakPolarHBondContact OD1-CG 3.46Å; D354-R357 PolarHBondContact OD1-N 2.87Å; D354-R357 WeakPolarHBondContact OD2-CG 3.47Å; D354-R357 IonicContact OD2-CZ 3.73Å; D354-R357 IonicContact OD2-NE 3.39Å; D354-R357 PolarHBondContact OD2-NE 3.29Å; D354-R357 IonicContact OD2-NH2 3.51Å; R357-R370 CarbonylContact C-O 3.3Å; R357-R370 VanDerWaalsContact CA-O 3.23Å; R357-R370 WeakPolarHBondContact CA-O 3.21Å; R357-I371 HydrophobicContact CB-CG1 4.36Å
358	I	80	Confident	76.1	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.7	172	-60.8	168.4	0	0	0	107.6	V314 F324 Q352 A353 A369 R370	V314-I358 HydrophobicContact CG1-CD1 4.24Å; V314-I358 HydrophobicContact CG1-CG2 4.43Å; V314-I358 HydrophobicContact CG2-CD1 4.18Å; F324-I358 HydrophobicContact CD1-CD1 4.45Å; F324-I358 HydrophobicContact CE1-CD1 3.2Å; F324-I358 HydrophobicContact CZ-CD1 3.27Å; Q352-I358 CarbonylContact O-C 3.56Å; Q352-I358 VanDerWaalsContact O-CA 3.32Å; Q352-I358 WeakPolarHBondContact O-CA 3.27Å; A353-I358 HydrophobicContact CB-CG1 3.83Å; I358-A369 CarbonylContact O-C 3.47Å; I358-A369 WeakPolarHBondContact O-CA 3.42Å; I358-R370 PolarHBondContact N-O 2.74Å; I358-R370 PolarHBondContact O-N 3.06Å
359	V	77.7	Confident	75.3	Confident	45 Å²	45	65.7 Å²	65.7	27%	0.273	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.5	174.1	-176.4	0	0	0	0	108	L351 Q352 M367 K368 A369	L351-V359 CarbonylContact C-O 3.56Å; L351-V359 VanDerWaalsContact CA-O 3.24Å; L351-V359 WeakPolarHBondContact CA-O 3.2Å; Q352-V359 PolarHBondContact N-O 3.32Å; Q352-V359 PolarHBondContact O-N 2.85Å; V359-M367 HydrophobicContact CG1-CE 3.7Å; V359-K368 CarbonylContact C-O 3.59Å; V359-K368 VanDerWaalsContact CA-O 3.3Å; V359-K368 WeakPolarHBondContact CA-O 3.18Å; V359-A369 HydrophobicContact CG2-CB 4.33Å
360	S	78	Confident	74.7	Confident	6 Å²	6	64.3 Å²	64.3	4%	0.042	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.6	180	55.3	0	0	0	0	111.7	I322 H344 C350 M367 K368	I322-S360 VanDerWaalsContact CD1-CB 3.42Å; I322-S360 VanDerWaalsContact CD1-OG 3.26Å; I322-S360 WeakPolarHBondContact CD1-OG 3.23Å; H344-S360 WeakPolarHBondContact NE2-CB 3.3Å; H344-S360 PolarHBondContact NE2-OG 3.48Å; C350-S360 WeakPolarHBondContact O-CA 3.5Å; S360-M367 CarbonylContact O-C 3.55Å; S360-M367 VanDerWaalsContact O-CA 3.22Å; S360-M367 WeakPolarHBondContact O-CA 3.44Å; S360-K368 PolarHBondContact N-O 2.88Å; S360-K368 PolarHBondContact O-N 2.8Å
361	G	78.4	Confident	73.7	Confident	8 Å²	8	66.1 Å²	66.1	8%	0.082	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.5	175.3	0	0	0	0	0	111.1	R349 C350	R349-G361 PolarHBondContact N-O 2.97Å; C350-G361 PolarHBondContact N-O 3.38Å; C350-G361 PolarHBondContact O-N 3.12Å
362	A	78.3	Confident	72.4	Confident	15 Å²	15	68.2 Å²	68.2	12%	0.124	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	167.8	-175.8	0	0	0	0	0	113.7	H344 V347 D364 K365 T366	H344-A362 HydrophobicContact CB-CB 3.78Å; H344-A362 WeakPolarHBondContact ND1-CB 3.31Å; V347-A362 CarbonylContact O-C 3.49Å; V347-A362 WeakPolarHBondContact O-CA 3.48Å; V347-A362 WeakPolarHBondContact O-CB 3.33Å; A362-D364 PolarHBondContact O-N 3.08Å; A362-D364 VanDerWaalsContact O-N 3.16Å; A362-K365 PolarHBondContact O-N 3.04Å; A362-T366 PolarHBondContact N-O 2.86Å
363	D	79.9	Confident	70.3	Confident	79 Å²	79	72 Å²	72	42%	0.422	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.3	178.2	-74.9	3	0	0	0	113.8	V347 R349 K365	V347-D363 HydrophobicContact CB-CB 4.49Å; V347-D363 PolarHBondContact O-N 3.47Å; R349-D363 WeakPolarHBondContact CG-OD1 3.49Å; R349-D363 IonicContact CZ-OD1 3.4Å; R349-D363 IonicContact CZ-OD2 2.83Å; R349-D363 VanDerWaalsContact CZ-OD2 3.28Å; R349-D363 VanDerWaalsContact NE-CG 3.33Å; R349-D363 IonicContact NE-OD1 2.65Å; R349-D363 PolarHBondContact NE-OD1 3.06Å; R349-D363 IonicContact NE-OD2 3.7Å; R349-D363 PolarHBondContact NE-OD2 3.13Å; R349-D363 VanDerWaalsContact NE-OD2 3.16Å; R349-D363 IonicContact NH2-OD1 3.21Å; R349-D363 IonicContact NH2-OD2 3.69Å; R349-D363 PolarHBondContact NH2-OD2 3.09Å; D363-K365 PolarHBondContact O-N 3.43Å; D363-K365 VanDerWaalsContact O-N 3.13Å
364	D	75.8	Confident	68.1	Low	30 Å²	30	75.6 Å²	75.6	16%	0.16	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	6.9	172.7	65.5	10.2	0	0	0	113.7	H344 T345 A362 T366	H344-D364 VanDerWaalsContact CA-OD2 3.27Å; H344-D364 WeakPolarHBondContact CA-OD2 3.41Å; H344-D364 WeakPolarHBondContact CB-OD2 3.41Å; H344-D364 IonicContact CG-OD2 3.28Å; H344-D364 IonicContact ND1-OD1 2.77Å; H344-D364 PolarHBondContact ND1-OD1 2.69Å; H344-D364 IonicContact ND1-OD2 3.16Å; H344-D364 PolarHBondContact ND1-OD2 3.11Å; T345-D364 PolarHBondContact N-OD2 3.21Å; T345-D364 VanDerWaalsContact OG1-CB 3.3Å; T345-D364 WeakPolarHBondContact OG1-CB 3.22Å; A362-D364 PolarHBondContact O-N 3.08Å; A362-D364 VanDerWaalsContact O-N 3.16Å; D364-T366 PolarHBondContact O-N 2.85Å; D364-T366 WeakPolarHBondContact OD1-CA 3.49Å; D364-T366 VanDerWaalsContact OD1-CB 3.3Å; D364-T366 WeakPolarHBondContact OD1-CB 3.32Å; D364-T366 PolarHBondContact OD1-N 2.93Å; D364-T366 PolarHBondContact OD1-OG1 3.12Å; D364-T366 PolarHBondContact OD2-OG1 3.47Å
365	K	76.7	Confident	66.2	Low	204 Å²	204	80.3 Å²	80.3	89%	0.887	43%	0.432	S	S	*	.	S	Bend	trans	63.7	20.2	-177.4	-49.4	179	-178.5	-179.9	0	113	A362 D363	A362-K365 PolarHBondContact O-N 3.04Å; D363-K365 PolarHBondContact O-N 3.43Å; D363-K365 VanDerWaalsContact O-N 3.13Å
366	T	67.1	Low	64.4	Low	50 Å²	50	78.3 Å²	78.3	31%	0.307	42%	0.418	S	S	.	.			trans	-110.1	145.5	175.8	74.5	0	0	0	0	111.5	H344 A362 D364 K368	H344-T366 PolarHBondContact CE1-OG1 3.4Å; H344-T366 PolarHBondContact ND1-OG1 2.98Å; H344-T366 VanDerWaalsContact ND1-OG1 3.17Å; A362-T366 PolarHBondContact N-O 2.86Å; D364-T366 PolarHBondContact O-N 2.85Å; D364-T366 WeakPolarHBondContact OD1-CA 3.49Å; D364-T366 VanDerWaalsContact OD1-CB 3.3Å; D364-T366 WeakPolarHBondContact OD1-CB 3.32Å; D364-T366 PolarHBondContact OD1-N 2.93Å; D364-T366 PolarHBondContact OD1-OG1 3.12Å; D364-T366 PolarHBondContact OD2-OG1 3.47Å; T366-K368 WeakPolarHBondContact OG1-CE 3.5Å
367	M	77.1	Confident	62.5	Low	147 Å²	147	79.3 Å²	79.3	72%	0.724	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.8	158.9	-71.7	-174.3	65	0	0	108.4	V359 S360	V359-M367 HydrophobicContact CG1-CE 3.7Å; S360-M367 CarbonylContact O-C 3.55Å; S360-M367 VanDerWaalsContact O-CA 3.22Å; S360-M367 WeakPolarHBondContact O-CA 3.44Å
368	K	72.7	Confident	60.2	Low	60 Å²	60	81.8 Å²	81.8	26%	0.261	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.8	-177.5	-63.2	-172.1	-179	-161	0	109.9	E342 G343 V359 S360 T366	E342-K368 WeakPolarHBondContact O-CD 3.05Å; E342-K368 PolarHBondContact O-NZ 3.28Å; G343-K368 VanDerWaalsContact C-NZ 3.3Å; G343-K368 PolarHBondContact O-NZ 2.87Å; V359-K368 CarbonylContact C-O 3.59Å; V359-K368 VanDerWaalsContact CA-O 3.3Å; V359-K368 WeakPolarHBondContact CA-O 3.18Å; S360-K368 PolarHBondContact N-O 2.88Å; S360-K368 PolarHBondContact O-N 2.8Å; T366-K368 WeakPolarHBondContact OG1-CE 3.5Å
369	A	69.1	Low	57.7	Low	80 Å²	80	87.4 Å²	87.4	66%	0.661	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	125.9	174.5	0	0	0	0	0	109.6	I358 V359	I358-A369 CarbonylContact O-C 3.47Å; I358-A369 WeakPolarHBondContact O-CA 3.42Å; V359-A369 HydrophobicContact CG2-CB 4.33Å
370	R	69.1	Low	55.3	Low	83 Å²	83	93 Å²	93	31%	0.313	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.9	173.5	-175.8	-177.3	-175.6	-168.2	4.7	109.4	L336 R357 I358	L336-R370 VanDerWaalsContact CD2-NH1 3.27Å; R357-R370 CarbonylContact C-O 3.3Å; R357-R370 VanDerWaalsContact CA-O 3.23Å; R357-R370 WeakPolarHBondContact CA-O 3.21Å; I358-R370 PolarHBondContact N-O 2.74Å; I358-R370 PolarHBondContact O-N 3.06Å
371	I	59.7	Low	52.9	Low	109 Å²	109	100 Å²	100	56%	0.559	55%	0.549	S	S	*	.			trans	-100.9	112.6	169.2	-60	170	0	0	0	106.3	W356 R357 L373	W356-I371 HydrophobicContact CE3-CG1 4.38Å; W356-I371 HydrophobicContact CE3-CG2 4.39Å; W356-I371 HydrophobicContact CZ3-CD1 4.19Å; W356-I371 HydrophobicContact CZ3-CG1 4.21Å; R357-I371 HydrophobicContact CB-CG1 4.36Å; I371-L373 PolarHBondContact O-N 2.86Å; I371-L373 VanDerWaalsContact O-N 3.12Å
372	P	52.9	Low	50.8	Low	58 Å²	58	110.6 Å²	110.6	38%	0.377	59%	0.587	S	S	.	*			trans	-61.5	116.3	169.2	-15.9	31.5	0	0	0	107.4	W356 S374	W356-P372 WeakPolarHBondContact O-CD 3.5Å; P372-S374 VanDerWaalsContact C-N 3.33Å; P372-S374 PolarHBondContact O-N 2.84Å
373	L	36.7	Very low	48.7	Very low	156 Å²	156	118 Å²	118	82%	0.817	62%	0.619	S	S	*	*			trans	-60	102.4	167.3	-75.2	161	0	0	0	106.3	I371 V375	I371-L373 PolarHBondContact O-N 2.86Å; I371-L373 VanDerWaalsContact O-N 3.12Å; L373-V375 PolarHBondContact O-N 3.37Å
374	S	32.9	Very low	46.5	Very low	100 Å²	100	120.2 Å²	120.2	70%	0.699	64%	0.635	S	S	*	*			trans	-58.4	109.4	170.6	59.6	0	0	0	0	107	P372 S376	P372-S374 VanDerWaalsContact C-N 3.33Å; P372-S374 PolarHBondContact O-N 2.84Å; S374-S376 PolarHBondContact O-N 3.3Å
375	V	26.1	Very low	44.9	Very low	142 Å²	142	123.5 Å²	123.5	86%	0.861	65%	0.648	S	S	*	*			trans	-74	76.3	171	-175.7	0	0	0	0	106	L373	L373-V375 PolarHBondContact O-N 3.37Å
376	S	27.3	Very low	42.9	Very low	54 Å²	54	119.7 Å²	119.7	38%	0.378	64%	0.638	S	S	.	*			trans	-86.8	110	149	59	0	0	0	0	105.8	K119 S374 M378	K119-S376 PolarHBondContact NZ-OG 3.3Å; S374-S376 PolarHBondContact O-N 3.3Å; S376-M378 PolarHBondContact O-N 2.61Å
377	T	24.5	Very low	41.8	Very low	129 Å²	129	121.3 Å²	121.3	79%	0.791	65%	0.648	S	S	*	*			trans	-18.1	94.1	157.1	44.5	0	0	0	0	113.2
378	M	24.3	Very low	40	Very low	158 Å²	158	118.4 Å²	118.4	78%	0.778	64%	0.642	S	S	*	*			trans	-125.4	85.6	148.2	-62.7	-144.1	104.6	0	0	105.2	S376	S376-M378 PolarHBondContact O-N 2.61Å
379	T	27.1	Very low	38.2	Very low	122 Å²	122	124.6 Å²	124.6	75%	0.748	67%	0.672	S	S	*	*			trans	-54.1	124.1	140.4	40.7	0	0	0	0	106
380	E	27.5	Very low	36.6	Very low	163 Å²	163	124.2 Å²	124.2	76%	0.762	68%	0.675	S	S	*	*	S	Bend	trans	74.4	107.5	-179.8	-51	159.2	-168.4	0	0	112.1
381	D	28	Very low	35	Very low	154 Å²	154	126.2 Å²	126.2	82%	0.824	69%	0.69	S	S	*	*			cis	-137.6	105.2	27.7	-70.4	-47.4	0	0	0	110.2	Q383	D381-Q383 PolarHBondContact O-N 3.38Å
382	R	33.2	Very low	33.9	Very low	230 Å²	230	130.1 Å²	130.1	87%	0.868	70%	0.703	S	S	*	*			trans	-77.8	112.1	149.9	-82.3	-178	173.9	173.4	0.1	104.4	T384	R382-T384 PolarHBondContact O-N 3.22Å
383	Q	35.4	Very low	32.9	Very low	171 Å²	171	134.6 Å²	134.6	80%	0.799	72%	0.722	S	S	*	*			trans	-50.8	98.9	162.2	-83.9	-176	-14	0	0	107.3	D381 F385	D381-Q383 PolarHBondContact O-N 3.38Å; Q383-F385 PolarHBondContact O-N 2.86Å
384	T	33.5	Very low	32.8	Very low	124 Å²	124	133 Å²	133	76%	0.761	71%	0.713	S	S	*	*			trans	-54.7	121.1	157.3	40.2	0	0	0	0	104.7	R382 D386	R382-T384 PolarHBondContact O-N 3.22Å; T384-D386 PolarHBondContact O-N 3.19Å
385	F	41.4	Very low	32.6	Very low	99 Å²	99	131.5 Å²	131.5	43%	0.434	71%	0.707	S	S	.	*			trans	-56.1	110.9	168.9	-64.9	-85.7	0	0	0	105.8	Q383 T387 F403 A405	Q383-F385 PolarHBondContact O-N 2.86Å; F385-T387 PolarHBondContact O-N 3.16Å; F385-F403 HydrophobicContact CD1-CE2 4.47Å; F385-A405 HydrophobicContact CD1-CB 4.22Å; F385-A405 HydrophobicContact CE1-CB 4.15Å
386	D	35.8	Very low	32.7	Very low	125 Å²	125	134.2 Å²	134.2	67%	0.668	71%	0.711	S	S	*	*			trans	-68.2	104.2	177.4	-164.4	-7.8	0	0	0	107.3	T384 S388	T384-D386 PolarHBondContact O-N 3.19Å; D386-S388 WeakPolarHBondContact OD1-CB 3.49Å; D386-S388 PolarHBondContact OD1-N 3.48Å; D386-S388 VanDerWaalsContact OD1-N 3.1Å; D386-S388 PolarHBondContact OD1-OG 3.17Å; D386-S388 PolarHBondContact OD2-OG 3.45Å
387	T	44.2	Very low	33.2	Very low	84 Å²	84	135.2 Å²	135.2	52%	0.515	73%	0.729	S	S	.	*			trans	-85.5	6.5	178.5	47.8	0	0	0	0	112.1	F385	F385-T387 PolarHBondContact O-N 3.16Å
388	S	38	Very low	34.4	Very low	86 Å²	86	131.3 Å²	131.3	60%	0.601	71%	0.71	S	S	*	*	S	Bend	trans	-83.7	-15.9	-165.5	68.1	0	0	0	0	115.8	D386	D386-S388 WeakPolarHBondContact OD1-CB 3.49Å; D386-S388 PolarHBondContact OD1-N 3.48Å; D386-S388 VanDerWaalsContact OD1-N 3.1Å; D386-S388 PolarHBondContact OD1-OG 3.17Å; D386-S388 PolarHBondContact OD2-OG 3.45Å
389	E	36.1	Very low	36.4	Very low	190 Å²	190	126.1 Å²	126.1	89%	0.888	68%	0.684	S	S	*	*	S	Bend	trans	-115.5	18.7	-168.1	-100	-170.5	168.2	0	0	118.1
390	G	35.6	Very low	38.5	Very low	72 Å²	72	120.9 Å²	120.9	74%	0.742	65%	0.653	S	S	*	*			trans	-152.7	7.1	178.7	0	0	0	0	0	117.7	K392	G390-K392 VanDerWaalsContact C-N 3.34Å; G390-K392 PolarHBondContact O-N 3.29Å
391	M	35.4	Very low	40.7	Very low	124 Å²	124	115 Å²	115	61%	0.611	63%	0.625	S	S	*	*			trans	-84.8	69.9	-173.9	-73.9	-92.3	-136.7	0	0	111.9	K401	M391-K401 HydrophobicContact CE-CD 4.17Å; M391-K401 HydrophobicContact SD-CD 4.08Å; M391-K401 WeakPolarHBondContact SD-CE 3.32Å; M391-K401 PolarHBondContact SD-NZ 2.58Å
392	K	36.6	Very low	43.1	Very low	191 Å²	191	111.2 Å²	111.2	83%	0.83	60%	0.604	S	S	*	*			trans	-104.9	106.1	161	-99.3	-177.8	176.6	177.4	0	109.4	G390	G390-K392 VanDerWaalsContact C-N 3.34Å; G390-K392 PolarHBondContact O-N 3.29Å
393	L	32	Very low	45.2	Very low	152 Å²	152	101.9 Å²	101.9	80%	0.796	57%	0.57	S	S	*	*			trans	23.6	108.2	160.2	-72.5	108.7	0	0	0	118.1	A395	L393-A395 HydrophobicContact CD2-CB 4.33Å
394	I	33.3	Very low	47.3	Very low	122 Å²	122	99.6 Å²	99.6	63%	0.626	56%	0.559	S	S	*	*			trans	-111.7	90.7	139.9	-57.9	178.9	0	0	0	106.2
395	A	29.5	Very low	49.5	Very low	69 Å²	69	94.5 Å²	94.5	57%	0.57	53%	0.529	S	S	*	.			trans	-77.7	141.5	173.3	0	0	0	0	0	110.2	L393	L393-A395 HydrophobicContact CD2-CB 4.33Å
396	Q	28.7	Very low	51.1	Low	200 Å²	200	93.9 Å²	93.9	94%	0.935	53%	0.534	S	S	*	.	S	Bend	trans	66.9	90.3	164.6	-61.5	-179.6	-7.9	0	0	117
397	G	37.8	Very low	52.8	Low	74 Å²	74	90.9 Å²	90.9	76%	0.763	52%	0.515	S	S	*	.	S	Bend	trans	135.2	-28	159.7	0	0	0	0	0	115.4	E399	G397-E399 PolarHBondContact O-N 2.9Å
398	A	49.5	Very low	54.3	Low	48 Å²	48	94.2 Å²	94.2	40%	0.397	53%	0.528	S	S	.	.			trans	-74.6	120.5	-175.6	0	0	0	0	0	112	A400 F418	A398-A400 PolarHBondContact O-N 3.3Å; A398-F418 WeakPolarHBondContact O-CD2 3.3Å
399	E	64.8	Low	55.8	Low	49 Å²	49	93.7 Å²	93.7	23%	0.229	54%	0.537	C	S	.	.	S	Bend	trans	-80.6	-1.3	174.8	-66.3	-171.4	123.1	0	0	113.7	G397 R417 F418 K420 R435	G397-E399 PolarHBondContact O-N 2.9Å; E399-R417 WeakPolarHBondContact O-CA 3.34Å; E399-R417 IonicContact OE2-NH1 3.19Å; E399-F418 PolarHBondContact O-N 3.19Å; E399-F418 VanDerWaalsContact O-N 3.12Å; E399-K420 WeakPolarHBondContact OE1-CE 3.11Å; E399-K420 IonicContact OE1-NZ 3.21Å; E399-K420 PolarHBondContact OE1-NZ 3.22Å; E399-R435 IonicContact OE1-CZ 3.69Å; E399-R435 IonicContact OE1-NH1 3.97Å; E399-R435 PolarHBondContact OE1-NH1 2.89Å; E399-R435 IonicContact OE1-NH2 3.5Å; E399-R435 IonicContact OE2-CZ 3.89Å; E399-R435 IonicContact OE2-NH1 3.89Å; E399-R435 PolarHBondContact OE2-NH1 2.81Å; E399-R435 IonicContact OE2-NH2 3.26Å; E399-R435 PolarHBondContact OE2-NH2 2.88Å
400	A	72.9	Confident	57.3	Low	11 Å²	11	92.3 Å²	92.3	9%	0.091	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	151.4	175.4	0	0	0	0	0	111.2	A398 K415 E416 R417	A398-A400 PolarHBondContact O-N 3.3Å; A400-K415 HydrophobicContact CB-CD 4.17Å; A400-K415 HydrophobicContact CB-CG 3.66Å; A400-E416 CarbonylContact C-O 3.49Å; A400-E416 VanDerWaalsContact CA-O 3.22Å; A400-E416 WeakPolarHBondContact CA-O 3.41Å; A400-R417 HydrophobicContact CB-CG 4.07Å
401	K	73.6	Confident	59.2	Low	41 Å²	41	94.9 Å²	94.9	18%	0.178	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	135.1	166.5	-172.6	-172.8	170.3	-161.4	0	109.3	M391 F403 K415 E416 F418	M391-K401 HydrophobicContact CE-CD 4.17Å; M391-K401 HydrophobicContact SD-CD 4.08Å; M391-K401 WeakPolarHBondContact SD-CE 3.32Å; M391-K401 PolarHBondContact SD-NZ 2.58Å; K401-F403 HydrophobicContact CD-CD1 4.03Å; K401-F403 HydrophobicContact CG-CD1 4.23Å; K401-K415 CarbonylContact O-C 3.58Å; K401-K415 VanDerWaalsContact O-CA 3.32Å; K401-K415 WeakPolarHBondContact O-CA 3.41Å; K401-E416 PolarHBondContact N-O 3.06Å; K401-E416 PolarHBondContact O-N 2.89Å; K401-F418 HydrophobicContact CB-CE1 4.19Å; K401-F418 HydrophobicContact CB-CE2 4.18Å; K401-F418 HydrophobicContact CB-CZ 3.66Å; K401-F418 HydrophobicContact CG-CZ 4.48Å
402	L	77.1	Confident	61.4	Low	74 Å²	74	89 Å²	89	39%	0.387	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.2	166.8	-65.8	164.5	0	0	0	109.1	I413 V414 K415 I533	L402-I413 HydrophobicContact CB-CG2 4.49Å; L402-I413 HydrophobicContact CD2-CG2 3.92Å; L402-V414 CarbonylContact C-O 3.46Å; L402-V414 WeakPolarHBondContact CA-O 3.15Å; L402-K415 HydrophobicContact CD2-CB 3.53Å; L402-K415 HydrophobicContact CD2-CD 4.3Å; L402-K415 HydrophobicContact CD2-CG 3.75Å; L402-I533 HydrophobicContact CD1-CD1 3.65Å
403	F	77.8	Confident	63.5	Low	33 Å²	33	80.5 Å²	80.5	15%	0.145	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	153.2	172.5	59.3	-86.8	0	0	0	111.7	F385 K401 A405 V414 E416	F385-F403 HydrophobicContact CD1-CE2 4.47Å; K401-F403 HydrophobicContact CD-CD1 4.03Å; K401-F403 HydrophobicContact CG-CD1 4.23Å; F403-A405 HydrophobicContact CE2-CB 4.45Å; F403-V414 HydrophobicContact CD1-CB 4.36Å; F403-V414 HydrophobicContact CD2-CB 4.1Å; F403-V414 HydrophobicContact CE1-CB 4Å; F403-V414 HydrophobicContact CE1-CG1 3.85Å; F403-V414 HydrophobicContact CE2-CB 3.71Å; F403-V414 HydrophobicContact CE2-CG1 4.03Å; F403-V414 HydrophobicContact CE2-CG2 4.04Å; F403-V414 HydrophobicContact CG-CB 4.42Å; F403-V414 HydrophobicContact CZ-CB 3.66Å; F403-V414 HydrophobicContact CZ-CG1 3.49Å; F403-V414 VanDerWaalsContact CZ-CG1 3.49Å; F403-V414 HydrophobicContact CZ-CG2 4.36Å; F403-V414 PolarHBondContact N-O 3.46Å; F403-V414 PolarHBondContact O-N 3.03Å; F403-E416 HydrophobicContact CE1-CB 4.04Å
404	H	80.5	Confident	66	Low	123 Å²	123	73.5 Å²	73.5	57%	0.569	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	141.3	175.7	-61	123.5	0	0	0	111.1	V412 F470	H404-V412 WeakPolarHBondContact CA-O 3.16Å; H404-F470 AromaticContact CD2-CD2 3.86Å; H404-F470 AromaticContact CD2-CE2 3.53Å; H404-F470 AromaticContact NE2-CE2 3.82Å
405	A	79.2	Confident	68.4	Low	17 Å²	17	67.9 Å²	67.9	14%	0.14	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	177.3	172.3	0	0	0	0	0	110.6	F385 F403 K411 V412 V414	F385-A405 HydrophobicContact CD1-CB 4.22Å; F385-A405 HydrophobicContact CE1-CB 4.15Å; F403-A405 HydrophobicContact CE2-CB 4.45Å; A405-K411 CarbonylContact O-C 3.58Å; A405-K411 WeakPolarHBondContact O-CA 3.23Å; A405-V412 HydrophobicContact CB-CG2 4.03Å; A405-V412 PolarHBondContact N-O 3.33Å; A405-V412 WeakPolarHBondContact O-CG2 3.29Å; A405-V412 PolarHBondContact O-N 3.3Å; A405-V414 HydrophobicContact CB-CG2 3.69Å
406	V	74.7	Confident	71.1	Confident	86 Å²	86	66.9 Å²	66.9	52%	0.521	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	125.4	168.5	-179.2	0	0	0	0	108.2	R410	V406-R410 CarbonylContact C-O 3.56Å; V406-R410 VanDerWaalsContact CA-O 3.3Å; V406-R410 WeakPolarHBondContact CA-O 3Å
407	F	71.9	Confident	73.5	Confident	63 Å²	63	58.1 Å²	58.1	28%	0.276	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	117.7	176.8	-179.9	-103.7	0	0	0	108.9	G409 R410 V412 F458 V467	F407-G409 VanDerWaalsContact C-N 3.28Å; F407-G409 PolarHBondContact O-N 3.13Å; F407-R410 PolarHBondContact N-O 3.09Å; F407-R410 PolarHBondContact O-N 3.29Å; F407-R410 VanDerWaalsContact O-N 3.08Å; F407-V412 HydrophobicContact CB-CB 4.27Å; F407-V412 HydrophobicContact CB-CG1 3.71Å; F407-V412 HydrophobicContact CB-CG2 3.58Å; F407-F458 HydrophobicContact CE1-CB 4.01Å; F407-F458 HydrophobicContact CE2-CB 4.2Å; F407-F458 HydrophobicContact CE2-CD1 4.38Å; F407-F458 HydrophobicContact CE2-CG 4.29Å; F407-F458 HydrophobicContact CZ-CB 3.62Å; F407-F458 HydrophobicContact CZ-CG 4.01Å; F407-V467 HydrophobicContact CB-CG1 4.08Å; F407-V467 HydrophobicContact CD1-CG1 4.18Å; F407-V467 HydrophobicContact CG-CG1 4.05Å
408	L	76.3	Confident	75.3	Confident	153 Å²	153	59.7 Å²	59.7	80%	0.801	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	44.5	-175.4	-57.3	176.3	0	0	0	112.9	R410	L408-R410 PolarHBondContact O-N 2.95Å
409	G	68.3	Low	76.2	Confident	75 Å²	75	61.8 Å²	61.8	77%	0.773	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	-0.7	179.5	0	0	0	0	0	115.2	F407	F407-G409 VanDerWaalsContact C-N 3.28Å; F407-G409 PolarHBondContact O-N 3.13Å
410	R	66.9	Low	76.4	Confident	162 Å²	162	62 Å²	62	61%	0.611	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.6	176.5	-61.1	-178.1	-179.9	-176.3	-1	109.8	V406 F407 L408 V412	V406-R410 CarbonylContact C-O 3.56Å; V406-R410 VanDerWaalsContact CA-O 3.3Å; V406-R410 WeakPolarHBondContact CA-O 3Å; F407-R410 PolarHBondContact N-O 3.09Å; F407-R410 PolarHBondContact O-N 3.29Å; F407-R410 VanDerWaalsContact O-N 3.08Å; L408-R410 PolarHBondContact O-N 2.95Å; R410-V412 PolarHBondContact O-N 3.25Å
411	K	77.5	Confident	76	Confident	126 Å²	126	67.4 Å²	67.4	55%	0.548	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	140.7	165.6	-64.7	-178.5	-177.8	176.1	0	108.1	A405 F470	A405-K411 CarbonylContact O-C 3.58Å; A405-K411 WeakPolarHBondContact O-CA 3.23Å; K411-F470 HydrophobicContact CB-CB 3.76Å; K411-F470 HydrophobicContact CB-CD1 3.75Å; K411-F470 HydrophobicContact CB-CD2 3.82Å; K411-F470 HydrophobicContact CB-CE1 4.25Å; K411-F470 HydrophobicContact CB-CE2 4.32Å; K411-F470 HydrophobicContact CB-CG 3.51Å; K411-F470 HydrophobicContact CD-CD1 4.08Å; K411-F470 HydrophobicContact CD-CE1 3.76Å; K411-F470 HydrophobicContact CD-CE2 4.42Å; K411-F470 HydrophobicContact CD-CZ 3.96Å; K411-F470 WeakPolarHBondContact O-CB 3.23Å
412	V	81	Confident	75.9	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.006	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160	178.2	-66.7	0	0	0	0	111.2	H404 A405 F407 R410 V414 Y457 V467 L468	H404-V412 WeakPolarHBondContact CA-O 3.16Å; A405-V412 HydrophobicContact CB-CG2 4.03Å; A405-V412 PolarHBondContact N-O 3.33Å; A405-V412 WeakPolarHBondContact O-CG2 3.29Å; A405-V412 PolarHBondContact O-N 3.3Å; F407-V412 HydrophobicContact CB-CB 4.27Å; F407-V412 HydrophobicContact CB-CG1 3.71Å; F407-V412 HydrophobicContact CB-CG2 3.58Å; R410-V412 PolarHBondContact O-N 3.25Å; V412-V414 HydrophobicContact CG2-CG2 4.18Å; V412-Y457 HydrophobicContact CG1-CD2 3.53Å; V412-Y457 HydrophobicContact CG1-CE2 3.78Å; V412-V467 HydrophobicContact CB-CG1 3.65Å; V412-V467 HydrophobicContact CG1-CG1 3.79Å; V412-V467 HydrophobicContact CG2-CG1 3.72Å; V412-L468 WeakPolarHBondContact CB-O 3.11Å
413	I	81.3	Confident	75.7	Confident	12 Å²	12	73.2 Å²	73.2	6%	0.062	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.9	167	-63	164.8	0	0	0	107.4	L402 L468 F470 V471	L402-I413 HydrophobicContact CB-CG2 4.49Å; L402-I413 HydrophobicContact CD2-CG2 3.92Å; I413-L468 HydrophobicContact CB-CB 4.4Å; I413-L468 PolarHBondContact N-O 3.16Å; I413-L468 PolarHBondContact O-N 2.82Å; I413-F470 HydrophobicContact CG1-CD2 4.3Å; I413-V471 HydrophobicContact CD1-CB 4.36Å; I413-V471 HydrophobicContact CD1-CG2 4.31Å
414	V	82.9	Confident	75.8	Confident	4 Å²	4	76.5 Å²	76.5	2%	0.024	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.1	175.6	-175.5	0	0	0	0	108.8	L402 F403 A405 V412 R465 V467	L402-V414 CarbonylContact C-O 3.46Å; L402-V414 WeakPolarHBondContact CA-O 3.15Å; F403-V414 HydrophobicContact CD1-CB 4.36Å; F403-V414 HydrophobicContact CD2-CB 4.1Å; F403-V414 HydrophobicContact CE1-CB 4Å; F403-V414 HydrophobicContact CE1-CG1 3.85Å; F403-V414 HydrophobicContact CE2-CB 3.71Å; F403-V414 HydrophobicContact CE2-CG1 4.03Å; F403-V414 HydrophobicContact CE2-CG2 4.04Å; F403-V414 HydrophobicContact CG-CB 4.42Å; F403-V414 HydrophobicContact CZ-CB 3.66Å; F403-V414 HydrophobicContact CZ-CG1 3.49Å; F403-V414 VanDerWaalsContact CZ-CG1 3.49Å; F403-V414 HydrophobicContact CZ-CG2 4.36Å; F403-V414 PolarHBondContact N-O 3.46Å; F403-V414 PolarHBondContact O-N 3.03Å; A405-V414 HydrophobicContact CB-CG2 3.69Å; V412-V414 HydrophobicContact CG2-CG2 4.18Å; V414-R465 HydrophobicContact CG1-CB 4.42Å; V414-R465 HydrophobicContact CG1-CG 4.44Å; V414-V467 HydrophobicContact CG2-CG2 4.36Å
415	K	85.4	Confident	75.7	Confident	5 Å²	5	79 Å²	79	2%	0.022	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	119.7	169.6	-175.3	-177.4	173.7	-171.6	0	109.6	A400 K401 L402 E439 R465 L466 D534	A400-K415 HydrophobicContact CB-CD 4.17Å; A400-K415 HydrophobicContact CB-CG 3.66Å; K401-K415 CarbonylContact O-C 3.58Å; K401-K415 VanDerWaalsContact O-CA 3.32Å; K401-K415 WeakPolarHBondContact O-CA 3.41Å; L402-K415 HydrophobicContact CD2-CB 3.53Å; L402-K415 HydrophobicContact CD2-CD 4.3Å; L402-K415 HydrophobicContact CD2-CG 3.75Å; K415-E439 IonicContact NZ-OE1 3.9Å; K415-E439 PolarHBondContact NZ-OE1 3.16Å; K415-E439 IonicContact NZ-OE2 3.86Å; K415-E439 PolarHBondContact NZ-OE2 2.81Å; K415-R465 CarbonylContact O-C 3.56Å; K415-R465 WeakPolarHBondContact O-CA 3.31Å; K415-L466 HydrophobicContact CB-CB 4.27Å; K415-L466 PolarHBondContact N-O 3.43Å; K415-L466 PolarHBondContact O-N 3.13Å; K415-D534 WeakPolarHBondContact CE-OD2 3.16Å; K415-D534 IonicContact NZ-OD1 2.98Å; K415-D534 PolarHBondContact NZ-OD1 2.74Å; K415-D534 IonicContact NZ-OD2 3.96Å; K415-D534 PolarHBondContact NZ-OD2 3.15Å
416	E	84.7	Confident	75.6	Confident	47 Å²	47	84.8 Å²	84.8	22%	0.22	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.6	178.1	-178.5	166.2	-142.8	0	0	110.1	A400 K401 F403 G464 R465	A400-E416 CarbonylContact C-O 3.49Å; A400-E416 VanDerWaalsContact CA-O 3.22Å; A400-E416 WeakPolarHBondContact CA-O 3.41Å; K401-E416 PolarHBondContact N-O 3.06Å; K401-E416 PolarHBondContact O-N 2.89Å; F403-E416 HydrophobicContact CE1-CB 4.04Å; E416-G464 WeakPolarHBondContact CA-O 3.42Å; E416-R465 HydrophobicContact CB-CG 4.04Å; E416-R465 VanDerWaalsContact CD-NE 3.35Å; E416-R465 HydrophobicContact CG-CG 3.95Å; E416-R465 IonicContact OE1-CZ 3.3Å; E416-R465 IonicContact OE1-NE 3.22Å; E416-R465 PolarHBondContact OE1-NE 3.18Å; E416-R465 IonicContact OE1-NH2 2.78Å; E416-R465 PolarHBondContact OE1-NH2 3.01Å; E416-R465 IonicContact OE2-CZ 2.69Å; E416-R465 IonicContact OE2-NE 3.45Å; E416-R465 IonicContact OE2-NH2 3.01Å; E416-R465 PolarHBondContact OE2-NH2 3.46Å
417	R	79.7	Confident	75.7	Confident	16 Å²	16	85.1 Å²	85.1	6%	0.06	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	134.9	179.2	-72.7	-173.1	173	-80.4	0.8	111.1	E399 A400 E439 G464 D534	E399-R417 WeakPolarHBondContact O-CA 3.34Å; E399-R417 IonicContact OE2-NH1 3.19Å; A400-R417 HydrophobicContact CB-CG 4.07Å; R417-E439 IonicContact CZ-OE2 3.95Å; R417-E439 IonicContact NE-OE2 2.54Å; R417-E439 PolarHBondContact NE-OE2 3.09Å; R417-E439 IonicContact NH2-OE2 3.71Å; R417-E439 PolarHBondContact NH2-OE2 3.4Å; R417-G464 PolarHBondContact N-O 3.38Å; R417-D534 IonicContact CZ-OD1 3.91Å; R417-D534 IonicContact NH1-OD1 3.23Å; R417-D534 IonicContact NH2-OD1 2.78Å; R417-D534 PolarHBondContact NH2-OD1 3.4Å
418	F	75.4	Confident	75.9	Confident	108 Å²	108	82.4 Å²	82.4	47%	0.474	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-73.2	136.5	175.8	-65.3	-66	0	0	0	110.8	A398 E399 K401	A398-F418 WeakPolarHBondContact O-CD2 3.3Å; E399-F418 PolarHBondContact O-N 3.19Å; E399-F418 VanDerWaalsContact O-N 3.12Å; K401-F418 HydrophobicContact CB-CE1 4.19Å; K401-F418 HydrophobicContact CB-CE2 4.18Å; K401-F418 HydrophobicContact CB-CZ 3.66Å; K401-F418 HydrophobicContact CG-CZ 4.48Å
419	P	68.8	Low	75.8	Confident	92 Å²	92	79.7 Å²	79.7	60%	0.597	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-66.5	138.2	169.7	27.8	-32	0	0	0	109.7	S421	P419-S421 PolarHBondContact O-N 2.91Å
420	K	68.8	Low	76.2	Confident	52 Å²	52	84.2 Å²	84.2	23%	0.226	40%	0.395	C	S	.	.			trans	-89.1	110.7	178.1	-69.9	-169.7	173.6	-168.2	0	109.3	E399 Y422 R423	E399-K420 WeakPolarHBondContact OE1-CE 3.11Å; E399-K420 IonicContact OE1-NZ 3.21Å; E399-K420 PolarHBondContact OE1-NZ 3.22Å; K420-Y422 HydrophobicContact CB-CD1 4.07Å; K420-Y422 HydrophobicContact CB-CE1 3.7Å; K420-Y422 HydrophobicContact CD-CE1 3.78Å; K420-Y422 WeakPolarHBondContact CD-OH 3.32Å; K420-Y422 HydrophobicContact CG-CE1 4.05Å; K420-Y422 PolarHBondContact O-N 3.2Å; K420-Y422 VanDerWaalsContact O-N 3.08Å; K420-R423 HydrophobicContact CB-CG 4.24Å; K420-R423 PolarHBondContact O-N 3.32Å; K420-R423 VanDerWaalsContact O-N 3.12Å
421	S	64.2	Low	76.6	Confident	125 Å²	125	79.2 Å²	79.2	87%	0.874	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.5	-174.1	54.7	0	0	0	0	114.6	P419	P419-S421 PolarHBondContact O-N 2.91Å
422	Y	70.7	Confident	76.5	Confident	165 Å²	165	75.5 Å²	75.5	65%	0.647	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-5.5	-177.6	65.6	-93	0	0	0	114.4	K420	K420-Y422 HydrophobicContact CB-CD1 4.07Å; K420-Y422 HydrophobicContact CB-CE1 3.7Å; K420-Y422 HydrophobicContact CD-CE1 3.78Å; K420-Y422 WeakPolarHBondContact CD-OH 3.32Å; K420-Y422 HydrophobicContact CG-CE1 4.05Å; K420-Y422 PolarHBondContact O-N 3.2Å; K420-Y422 VanDerWaalsContact O-N 3.08Å
423	R	74.3	Confident	76.4	Confident	72 Å²	72	77.7 Å²	77.7	27%	0.272	37%	0.372	S	S	.	.	S	Bend	trans	-98	140.9	-179	-69	-179.1	178.4	178.1	-5.6	111	K420 K425 D428	K420-R423 HydrophobicContact CB-CG 4.24Å; K420-R423 PolarHBondContact O-N 3.32Å; K420-R423 VanDerWaalsContact O-N 3.12Å; R423-K425 PolarHBondContact O-N 2.92Å; R423-D428 HydrophobicContact CB-CB 3.74Å; R423-D428 WeakPolarHBondContact CD-OD1 3.34Å; R423-D428 IonicContact NH1-OD1 3.47Å
424	V	80.3	Confident	76.3	Confident	103 Å²	103	82.7 Å²	82.7	62%	0.624	39%	0.394	S	S	*	.			trans	-55.9	131.5	169.5	179.7	0	0	0	0	108.6	E426 L427 D428	V424-E426 VanDerWaalsContact C-N 3.28Å; V424-E426 PolarHBondContact O-N 3.17Å; V424-E426 VanDerWaalsContact O-N 3.14Å; V424-L427 HydrophobicContact CB-CB 4.29Å; V424-L427 WeakPolarHBondContact O-CA 3.13Å; V424-L427 WeakPolarHBondContact O-CB 3.4Å; V424-L427 PolarHBondContact O-N 3.16Å; V424-D428 PolarHBondContact O-N 2.63Å
425	K	77.4	Confident	76.1	Confident	175 Å²	175	84.2 Å²	84.2	76%	0.761	40%	0.4	S	S	*	.	H	α-helix	trans	-48.6	-46.7	-172.1	-73.7	-175	178.3	179.8	0	113.4	R423 D428 E429	R423-K425 PolarHBondContact O-N 2.92Å; K425-D428 PolarHBondContact O-N 3.29Å; K425-E429 WeakPolarHBondContact O-CB 3.24Å; K425-E429 WeakPolarHBondContact O-CG 3.14Å; K425-E429 PolarHBondContact O-N 3.09Å
426	E	78	Confident	76	Confident	139 Å²	139	84.2 Å²	84.2	65%	0.65	40%	0.4	S	S	*	.	H	α-helix	trans	-64.2	-41	179.7	-63.9	178.8	-178.3	0	0	112.9	V424 R430	V424-E426 VanDerWaalsContact C-N 3.28Å; V424-E426 PolarHBondContact O-N 3.17Å; V424-E426 VanDerWaalsContact O-N 3.14Å; E426-R430 WeakPolarHBondContact O-CG 3.48Å; E426-R430 PolarHBondContact O-N 2.99Å
427	L	76	Confident	75.7	Confident	92 Å²	92	85.4 Å²	85.4	48%	0.482	40%	0.402	S	S	.	.	H	α-helix	trans	-69.3	-40.8	176.6	-178.8	62	0	0	0	110.9	V424 R430 L431	V424-L427 HydrophobicContact CB-CB 4.29Å; V424-L427 WeakPolarHBondContact O-CA 3.13Å; V424-L427 WeakPolarHBondContact O-CB 3.4Å; V424-L427 PolarHBondContact O-N 3.16Å; L427-R430 PolarHBondContact O-N 3.12Å; L427-L431 HydrophobicContact CD1-CD1 4.08Å; L427-L431 HydrophobicContact CD1-CG 4.19Å; L427-L431 HydrophobicContact CG-CD1 3.91Å; L427-L431 HydrophobicContact CG-CG 4.43Å; L427-L431 WeakPolarHBondContact O-CB 3.26Å; L427-L431 VanDerWaalsContact O-CG 3.3Å; L427-L431 WeakPolarHBondContact O-CG 3.35Å; L427-L431 PolarHBondContact O-N 3.43Å
428	D	76.1	Confident	75.9	Confident	7 Å²	7	85.6 Å²	85.6	4%	0.037	41%	0.407	C	S	.	.	H	α-helix	trans	-63.6	-42.3	176	-167.4	59.2	0	0	0	111.5	R423 V424 K425 L431 R432	R423-D428 HydrophobicContact CB-CB 3.74Å; R423-D428 WeakPolarHBondContact CD-OD1 3.34Å; R423-D428 IonicContact NH1-OD1 3.47Å; V424-D428 PolarHBondContact O-N 2.63Å; K425-D428 PolarHBondContact O-N 3.29Å; D428-L431 PolarHBondContact O-N 3.21Å; D428-R432 WeakPolarHBondContact O-CB 3.47Å; D428-R432 WeakPolarHBondContact O-CG 3.43Å; D428-R432 PolarHBondContact O-N 3.13Å; D428-R432 PolarHBondContact O-NE 3.13Å; D428-R432 IonicContact OD2-CZ 3.01Å; D428-R432 IonicContact OD2-NE 2.69Å; D428-R432 PolarHBondContact OD2-NE 3.01Å; D428-R432 IonicContact OD2-NH2 3.88Å; D428-R432 PolarHBondContact OD2-NH2 2.97Å
429	E	74.9	Confident	76.5	Confident	95 Å²	95	80.4 Å²	80.4	44%	0.444	39%	0.385	S	S	.	.	H	α-helix	trans	-61.2	-45.8	173.8	-78.6	-178.7	-171.9	0	0	112.6	K425 R432 K433	K425-E429 WeakPolarHBondContact O-CB 3.24Å; K425-E429 WeakPolarHBondContact O-CG 3.14Å; K425-E429 PolarHBondContact O-N 3.09Å; E429-R432 PolarHBondContact O-N 2.79Å; E429-K433 WeakPolarHBondContact O-CG 3.14Å; E429-K433 PolarHBondContact O-N 3.25Å
430	R	75.7	Confident	77.3	Confident	171 Å²	171	78 Å²	78	65%	0.645	37%	0.367	S	S	*	.	H	α-helix	trans	-61	-50.5	176.4	-75.6	-179.7	-176.8	-175.3	3.3	111.3	E426 L427 R432 K433 E434	E426-R430 WeakPolarHBondContact O-CG 3.48Å; E426-R430 PolarHBondContact O-N 2.99Å; L427-R430 PolarHBondContact O-N 3.12Å; R430-R432 VanDerWaalsContact C-N 3.34Å; R430-R432 PolarHBondContact O-N 2.88Å; R430-K433 PolarHBondContact O-N 2.8Å; R430-E434 WeakPolarHBondContact O-CG 3.2Å; R430-E434 PolarHBondContact O-N 2.89Å
431	L	76	Confident	78.1	Confident	56 Å²	56	83.8 Å²	83.8	29%	0.293	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-38.1	179.3	-71.5	172.5	0	0	0	111.9	L427 D428 E434 R435	L427-L431 HydrophobicContact CD1-CD1 4.08Å; L427-L431 HydrophobicContact CD1-CG 4.19Å; L427-L431 HydrophobicContact CG-CD1 3.91Å; L427-L431 HydrophobicContact CG-CG 4.43Å; L427-L431 WeakPolarHBondContact O-CB 3.26Å; L427-L431 VanDerWaalsContact O-CG 3.3Å; L427-L431 WeakPolarHBondContact O-CG 3.35Å; L427-L431 PolarHBondContact O-N 3.43Å; D428-L431 PolarHBondContact O-N 3.21Å; L431-E434 PolarHBondContact O-N 2.73Å; L431-R435 WeakPolarHBondContact O-CB 3.21Å; L431-R435 PolarHBondContact O-N 3.39Å
432	R	75.6	Confident	79.2	Confident	48 Å²	48	78.6 Å²	78.6	18%	0.181	35%	0.351	C	S	.	.	H	α-helix	trans	-60.5	-47	174.1	-82.3	-172.6	-77.9	143.9	-0.1	111.3	D428 E429 R430 R435 L436	D428-R432 WeakPolarHBondContact O-CB 3.47Å; D428-R432 WeakPolarHBondContact O-CG 3.43Å; D428-R432 PolarHBondContact O-N 3.13Å; D428-R432 PolarHBondContact O-NE 3.13Å; D428-R432 IonicContact OD2-CZ 3.01Å; D428-R432 IonicContact OD2-NE 2.69Å; D428-R432 PolarHBondContact OD2-NE 3.01Å; D428-R432 IonicContact OD2-NH2 3.88Å; D428-R432 PolarHBondContact OD2-NH2 2.97Å; E429-R432 PolarHBondContact O-N 2.79Å; R430-R432 VanDerWaalsContact C-N 3.34Å; R430-R432 PolarHBondContact O-N 2.88Å; R432-R435 PolarHBondContact O-N 3.19Å; R432-L436 WeakPolarHBondContact O-CB 3.15Å; R432-L436 PolarHBondContact O-N 3.17Å
433	K	77.7	Confident	80	Confident	48 Å²	48	71 Å²	71	21%	0.209	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-49.4	176.3	-74.2	175	175.4	179.8	0	111.7	V339 E429 R430 R435 L436 R437 A461	V339-K433 PolarHBondContact O-NZ 3.44Å; E429-K433 WeakPolarHBondContact O-CG 3.14Å; E429-K433 PolarHBondContact O-N 3.25Å; R430-K433 PolarHBondContact O-N 2.8Å; K433-R435 VanDerWaalsContact C-N 3.33Å; K433-R435 PolarHBondContact O-N 2.86Å; K433-L436 PolarHBondContact O-N 2.91Å; K433-R437 WeakPolarHBondContact O-CD 3.47Å; K433-R437 VanDerWaalsContact O-CG 3.22Å; K433-R437 WeakPolarHBondContact O-CG 3.3Å; K433-R437 PolarHBondContact O-N 2.72Å; K433-A461 HydrophobicContact CG-CB 3.95Å
434	E	79.4	Confident	80.6	Confident	116 Å²	116	71.9 Å²	71.9	54%	0.542	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-41.6	179.2	-73.7	-174.6	150	0	0	112.3	R430 L431 R437 A438	R430-E434 WeakPolarHBondContact O-CG 3.2Å; R430-E434 PolarHBondContact O-N 2.89Å; L431-E434 PolarHBondContact O-N 2.73Å; E434-R437 WeakPolarHBondContact O-CB 3.47Å; E434-R437 PolarHBondContact O-N 2.87Å; E434-A438 PolarHBondContact O-N 3.33Å
435	R	79.8	Confident	80.9	Confident	37 Å²	37	71.4 Å²	71.4	14%	0.14	32%	0.318	C	S	.	.	H	α-helix	trans	-67.6	-42.7	178.9	-164.8	174	-168.5	-175.5	-4.5	112.7	E399 L431 R432 K433 R437 A438 E439 G536	E399-R435 IonicContact OE1-CZ 3.69Å; E399-R435 IonicContact OE1-NH1 3.97Å; E399-R435 PolarHBondContact OE1-NH1 2.89Å; E399-R435 IonicContact OE1-NH2 3.5Å; E399-R435 IonicContact OE2-CZ 3.89Å; E399-R435 IonicContact OE2-NH1 3.89Å; E399-R435 PolarHBondContact OE2-NH1 2.81Å; E399-R435 IonicContact OE2-NH2 3.26Å; E399-R435 PolarHBondContact OE2-NH2 2.88Å; L431-R435 WeakPolarHBondContact O-CB 3.21Å; L431-R435 PolarHBondContact O-N 3.39Å; R432-R435 PolarHBondContact O-N 3.19Å; K433-R435 VanDerWaalsContact C-N 3.33Å; K433-R435 PolarHBondContact O-N 2.86Å; R435-R437 VanDerWaalsContact C-N 3.27Å; R435-R437 PolarHBondContact O-N 2.71Å; R435-A438 PolarHBondContact O-N 3.32Å; R435-E439 WeakPolarHBondContact O-CB 3.44Å; R435-E439 PolarHBondContact O-N 3.27Å; R435-G536 VanDerWaalsContact CG-O 3.25Å; R435-G536 WeakPolarHBondContact CG-O 3.34Å; R435-G536 PolarHBondContact NE-O 2.82Å
436	L	83.4	Confident	81.4	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-37.3	175.1	-167.7	67.7	0	0	0	111	R432 K433 E439 I440 A459 A461 L466	R432-L436 WeakPolarHBondContact O-CB 3.15Å; R432-L436 PolarHBondContact O-N 3.17Å; K433-L436 PolarHBondContact O-N 2.91Å; L436-E439 PolarHBondContact O-N 2.94Å; L436-I440 HydrophobicContact CG-CD1 4.15Å; L436-I440 VanDerWaalsContact O-CG1 3.25Å; L436-I440 WeakPolarHBondContact O-CG1 3.42Å; L436-I440 PolarHBondContact O-N 2.86Å; L436-A459 HydrophobicContact CD2-CB 4.25Å; L436-A461 HydrophobicContact CD2-CB 3.83Å; L436-L466 HydrophobicContact CD1-CB 4.16Å; L436-L466 HydrophobicContact CD1-CD1 4.31Å
437	R	78.5	Confident	81.9	Confident	71 Å²	71	63 Å²	63	27%	0.268	28%	0.276	S	S	.	.	H	α-helix	trans	-67.3	-40.2	173.8	-70.3	167.3	-170.8	164.3	-1.7	112.7	E342 K433 E434 R435 E439 R441	E342-R437 IonicContact OE1-NE 3.44Å; E342-R437 IonicContact OE1-NH2 3.43Å; E342-R437 PolarHBondContact OE1-NH2 2.8Å; K433-R437 WeakPolarHBondContact O-CD 3.47Å; K433-R437 VanDerWaalsContact O-CG 3.22Å; K433-R437 WeakPolarHBondContact O-CG 3.3Å; K433-R437 PolarHBondContact O-N 2.72Å; E434-R437 WeakPolarHBondContact O-CB 3.47Å; E434-R437 PolarHBondContact O-N 2.87Å; R435-R437 VanDerWaalsContact C-N 3.27Å; R435-R437 PolarHBondContact O-N 2.71Å; R437-E439 VanDerWaalsContact C-N 3.34Å; R437-R441 WeakPolarHBondContact O-CB 3.3Å; R437-R441 VanDerWaalsContact O-CG 3.29Å; R437-R441 WeakPolarHBondContact O-CG 3.39Å; R437-R441 PolarHBondContact O-N 2.78Å; R437-R441 PolarHBondContact O-NE 3.23Å
438	A	82.8	Confident	82.4	Confident	20 Å²	20	66.4 Å²	66.4	17%	0.165	29%	0.289	C	S	.	.	H	α-helix	trans	-60.7	-47.3	173.6	0	0	0	0	0	110.2	E434 R435 I440 R441 S442	E434-A438 PolarHBondContact O-N 3.33Å; R435-A438 PolarHBondContact O-N 3.32Å; A438-I440 PolarHBondContact O-N 3.12Å; A438-R441 PolarHBondContact O-N 3.02Å; A438-S442 WeakPolarHBondContact O-CB 3.34Å; A438-S442 PolarHBondContact O-N 3.4Å; A438-S442 PolarHBondContact O-OG 3.38Å; A438-S442 VanDerWaalsContact O-OG 3.14Å
439	E	88.1	Confident	83	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.9	-48.2	177.4	-171.6	172.9	177	0	0	112.7	K415 R417 R435 L436 R437 S442 L443 L466 F535	K415-E439 IonicContact NZ-OE1 3.9Å; K415-E439 PolarHBondContact NZ-OE1 3.16Å; K415-E439 IonicContact NZ-OE2 3.86Å; K415-E439 PolarHBondContact NZ-OE2 2.81Å; R417-E439 IonicContact CZ-OE2 3.95Å; R417-E439 IonicContact NE-OE2 2.54Å; R417-E439 PolarHBondContact NE-OE2 3.09Å; R417-E439 IonicContact NH2-OE2 3.71Å; R417-E439 PolarHBondContact NH2-OE2 3.4Å; R435-E439 WeakPolarHBondContact O-CB 3.44Å; R435-E439 PolarHBondContact O-N 3.27Å; L436-E439 PolarHBondContact O-N 2.94Å; R437-E439 VanDerWaalsContact C-N 3.34Å; E439-S442 PolarHBondContact O-N 2.96Å; E439-L443 HydrophobicContact CG-CD1 4.01Å; E439-L443 WeakPolarHBondContact O-CB 3.26Å; E439-L443 WeakPolarHBondContact O-CG 3.45Å; E439-L443 PolarHBondContact O-N 3.48Å; E439-L466 HydrophobicContact CG-CD2 4.35Å; E439-F535 HydrophobicContact CG-CB 4.41Å
440	I	86.7	Confident	83.6	Confident	42 Å²	42	66.5 Å²	66.5	22%	0.215	31%	0.307	C	S	.	.	H	α-helix	trans	-63.4	-45.9	178.5	-67.5	163.5	0	0	0	111.1	L436 A438 S442 L443 L444 A459 L466	L436-I440 HydrophobicContact CG-CD1 4.15Å; L436-I440 VanDerWaalsContact O-CG1 3.25Å; L436-I440 WeakPolarHBondContact O-CG1 3.42Å; L436-I440 PolarHBondContact O-N 2.86Å; A438-I440 PolarHBondContact O-N 3.12Å; I440-S442 VanDerWaalsContact C-N 3.26Å; I440-S442 PolarHBondContact O-N 2.87Å; I440-L443 PolarHBondContact O-N 2.74Å; I440-L444 HydrophobicContact CG2-CD1 3.91Å; I440-L444 HydrophobicContact CG2-CG 4.34Å; I440-L444 WeakPolarHBondContact O-CB 3.4Å; I440-L444 VanDerWaalsContact O-CG 3.29Å; I440-L444 WeakPolarHBondContact O-CG 3.15Å; I440-L444 PolarHBondContact O-N 3.5Å; I440-A459 HydrophobicContact CD1-CB 3.5Å; I440-A459 VanDerWaalsContact CD1-CB 3.5Å; I440-L466 HydrophobicContact CD1-CD1 4.17Å; I440-L466 HydrophobicContact CG1-CD1 3.83Å
441	R	85.3	Confident	84.3	Confident	172 Å²	172	58.5 Å²	58.5	65%	0.649	28%	0.277	S	S	*	.	H	α-helix	trans	-58.4	-42.1	178	-78.1	-175	-66.3	164	-0.9	111.1	R437 A438 R445	R437-R441 WeakPolarHBondContact O-CB 3.3Å; R437-R441 VanDerWaalsContact O-CG 3.29Å; R437-R441 WeakPolarHBondContact O-CG 3.39Å; R437-R441 PolarHBondContact O-N 2.78Å; R437-R441 PolarHBondContact O-NE 3.23Å; A438-R441 PolarHBondContact O-N 3.02Å; R441-R445 WeakPolarHBondContact O-CB 3.41Å; R441-R445 PolarHBondContact O-N 3.03Å
442	S	86.4	Confident	84.8	Confident	17 Å²	17	58 Å²	58	12%	0.119	28%	0.277	C	S	.	.	H	α-helix	trans	-73.9	-39.2	-179.5	-65.4	0	0	0	0	113.1	A438 E439 I440 L444 R445 C446 S538	A438-S442 WeakPolarHBondContact O-CB 3.34Å; A438-S442 PolarHBondContact O-N 3.4Å; A438-S442 PolarHBondContact O-OG 3.38Å; A438-S442 VanDerWaalsContact O-OG 3.14Å; E439-S442 PolarHBondContact O-N 2.96Å; I440-S442 VanDerWaalsContact C-N 3.26Å; I440-S442 PolarHBondContact O-N 2.87Å; S442-L444 PolarHBondContact O-N 3.42Å; S442-R445 PolarHBondContact O-N 2.75Å; S442-C446 VanDerWaalsContact O-CB 3.29Å; S442-C446 WeakPolarHBondContact O-CB 3.25Å; S442-C446 PolarHBondContact O-N 2.87Å; S442-C446 PolarHBondContact O-SG 2.88Å; S442-S538 WeakPolarHBondContact CB-OG 3.18Å; S442-S538 PolarHBondContact OG-OG 2.78Å
443	L	88.5	Confident	85.5	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-45.6	171.7	-77.1	168.1	0	0	0	111.4	E439 I440 C446 R447 V453 V456 L466 L468 F535	E439-L443 HydrophobicContact CG-CD1 4.01Å; E439-L443 WeakPolarHBondContact O-CB 3.26Å; E439-L443 WeakPolarHBondContact O-CG 3.45Å; E439-L443 PolarHBondContact O-N 3.48Å; I440-L443 PolarHBondContact O-N 2.74Å; L443-C446 PolarHBondContact O-N 3.31Å; L443-R447 WeakPolarHBondContact O-CB 3.37Å; L443-R447 PolarHBondContact O-N 2.93Å; L443-V453 HydrophobicContact CD2-CB 3.88Å; L443-V453 HydrophobicContact CD2-CG1 4.06Å; L443-V453 HydrophobicContact CD2-CG2 4.34Å; L443-V456 HydrophobicContact CB-CG2 4.3Å; L443-V456 HydrophobicContact CD1-CG2 3.79Å; L443-L466 HydrophobicContact CD1-CD2 3.69Å; L443-L468 HydrophobicContact CD1-CD2 4.36Å; L443-F535 HydrophobicContact CD2-CD2 3.55Å; L443-F535 HydrophobicContact CD2-CE2 3.96Å; L443-F535 HydrophobicContact CG-CD2 4.05Å
444	L	85.4	Confident	85.8	Confident	90 Å²	90	54.1 Å²	54.1	47%	0.471	26%	0.262	S	S	.	.	H	α-helix	trans	-63	-43.3	176.6	-70.8	174.4	0	0	0	111.6	I440 S442 R447 Q448	I440-L444 HydrophobicContact CG2-CD1 3.91Å; I440-L444 HydrophobicContact CG2-CG 4.34Å; I440-L444 WeakPolarHBondContact O-CB 3.4Å; I440-L444 VanDerWaalsContact O-CG 3.29Å; I440-L444 WeakPolarHBondContact O-CG 3.15Å; I440-L444 PolarHBondContact O-N 3.5Å; S442-L444 PolarHBondContact O-N 3.42Å; L444-R447 PolarHBondContact O-N 3.16Å; L444-Q448 WeakPolarHBondContact O-CG 3.45Å; L444-Q448 PolarHBondContact O-N 3.06Å
445	R	86.9	Confident	86	Confident	94 Å²	94	50.5 Å²	50.5	36%	0.355	25%	0.249	S	C	.	.	H	α-helix	trans	-64.1	-44.3	176.9	-172.4	176.7	173.5	152	-6.2	111.7	R441 S442 R447 Q448 V449 T505 I507	R441-R445 WeakPolarHBondContact O-CB 3.41Å; R441-R445 PolarHBondContact O-N 3.03Å; S442-R445 PolarHBondContact O-N 2.75Å; R445-R447 VanDerWaalsContact C-N 3.32Å; R445-R447 PolarHBondContact O-N 2.93Å; R445-Q448 WeakPolarHBondContact O-CB 3.49Å; R445-Q448 PolarHBondContact O-N 3.27Å; R445-V449 WeakPolarHBondContact O-CG2 3.3Å; R445-V449 PolarHBondContact O-N 3.45Å; R445-V449 VanDerWaalsContact O-N 3.16Å; R445-T505 PolarHBondContact NH2-O 3.46Å; R445-I507 HydrophobicContact CG-CD1 3.93Å; R445-I507 HydrophobicContact CG-CG1 4.49Å
446	C	89.3	Confident	86.3	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-56.8	-47.9	175.1	-73.6	0	0	0	0	110.9	S442 L443 Q448 V449 G450 I451 V453 F535	S442-C446 VanDerWaalsContact O-CB 3.29Å; S442-C446 WeakPolarHBondContact O-CB 3.25Å; S442-C446 PolarHBondContact O-N 2.87Å; S442-C446 PolarHBondContact O-SG 2.88Å; L443-C446 PolarHBondContact O-N 3.31Å; C446-Q448 VanDerWaalsContact C-N 3.34Å; C446-Q448 PolarHBondContact O-N 2.88Å; C446-V449 VanDerWaalsContact O-CG2 3.26Å; C446-V449 WeakPolarHBondContact O-CG2 3.49Å; C446-V449 PolarHBondContact O-N 2.59Å; C446-G450 PolarHBondContact O-N 3.21Å; C446-I451 HydrophobicContact CB-CB 3.84Å; C446-I451 HydrophobicContact CB-CD1 4.26Å; C446-I451 HydrophobicContact CB-CG2 4.01Å; C446-I451 WeakPolarHBondContact O-CB 3.34Å; C446-I451 PolarHBondContact O-N 3.41Å; C446-V453 HydrophobicContact CB-CG1 3.78Å; C446-V453 HydrophobicContact CB-CG2 4.29Å; C446-F535 HydrophobicContact CB-CZ 4.49Å; C446-F535 WeakPolarHBondContact SG-CE1 3.49Å; C446-F535 VanDerWaalsContact SG-CZ 3.59Å
447	R	87.9	Confident	86.1	Confident	138 Å²	138	55.4 Å²	55.4	52%	0.521	27%	0.273	S	S	.	.	H	α-helix	trans	-61.3	-39.8	177.4	-168.5	178.9	-179.5	91	2.5	112.8	L443 L444 R445 V449 G450 V453	L443-R447 WeakPolarHBondContact O-CB 3.37Å; L443-R447 PolarHBondContact O-N 2.93Å; L444-R447 PolarHBondContact O-N 3.16Å; R445-R447 VanDerWaalsContact C-N 3.32Å; R445-R447 PolarHBondContact O-N 2.93Å; R447-V449 VanDerWaalsContact C-N 3.3Å; R447-V449 PolarHBondContact O-N 2.65Å; R447-G450 PolarHBondContact O-N 3.35Å; R447-V453 HydrophobicContact CB-CG2 3.87Å
448	Q	86.6	Confident	86.3	Confident	163 Å²	163	56.3 Å²	56.3	76%	0.762	28%	0.279	S	S	*	.	H	α-helix	trans	-63.6	-34.7	177.9	-77.3	173.7	-8	0	0	112.9	L444 R445 C446	L444-Q448 WeakPolarHBondContact O-CG 3.45Å; L444-Q448 PolarHBondContact O-N 3.06Å; R445-Q448 WeakPolarHBondContact O-CB 3.49Å; R445-Q448 PolarHBondContact O-N 3.27Å; C446-Q448 VanDerWaalsContact C-N 3.34Å; C446-Q448 PolarHBondContact O-N 2.88Å
449	V	88.8	Confident	86.3	Confident	49 Å²	49	56.7 Å²	56.7	30%	0.297	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	2	179.6	-58.6	0	0	0	0	113.5	R445 C446 R447 I451 L501 T505 I507	R445-V449 WeakPolarHBondContact O-CG2 3.3Å; R445-V449 PolarHBondContact O-N 3.45Å; R445-V449 VanDerWaalsContact O-N 3.16Å; C446-V449 VanDerWaalsContact O-CG2 3.26Å; C446-V449 WeakPolarHBondContact O-CG2 3.49Å; C446-V449 PolarHBondContact O-N 2.59Å; R447-V449 VanDerWaalsContact C-N 3.3Å; R447-V449 PolarHBondContact O-N 2.65Å; V449-I451 HydrophobicContact CG2-CB 4.43Å; V449-I451 HydrophobicContact CG2-CD1 3.47Å; V449-I451 VanDerWaalsContact CG2-CD1 3.47Å; V449-I451 HydrophobicContact CG2-CG1 3.76Å; V449-L501 WeakPolarHBondContact O-CD2 3.29Å; V449-T505 HydrophobicContact CB-CG2 3.9Å; V449-T505 HydrophobicContact CG1-CG2 3.9Å; V449-T505 HydrophobicContact CG2-CG2 4.18Å; V449-I507 HydrophobicContact CG2-CD1 3.99Å
450	G	87.2	Confident	86.1	Confident	54 Å²	54	58.1 Å²	58.1	56%	0.557	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	11	178.5	0	0	0	0	0	115.3	C446 R447	C446-G450 PolarHBondContact O-N 3.21Å; R447-G450 PolarHBondContact O-N 3.35Å
451	I	89.5	Confident	85.5	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	28%	0.283	C	S	.	.			trans	-70.8	131.1	172.9	-66.1	161.9	0	0	0	108.6	C446 V449 V453 L501 M502 I507 L532	C446-I451 HydrophobicContact CB-CB 3.84Å; C446-I451 HydrophobicContact CB-CD1 4.26Å; C446-I451 HydrophobicContact CB-CG2 4.01Å; C446-I451 WeakPolarHBondContact O-CB 3.34Å; C446-I451 PolarHBondContact O-N 3.41Å; V449-I451 HydrophobicContact CG2-CB 4.43Å; V449-I451 HydrophobicContact CG2-CD1 3.47Å; V449-I451 VanDerWaalsContact CG2-CD1 3.47Å; V449-I451 HydrophobicContact CG2-CG1 3.76Å; I451-V453 HydrophobicContact CG2-CG1 4.27Å; I451-V453 PolarHBondContact O-N 3.06Å; I451-V453 VanDerWaalsContact O-N 3.11Å; I451-L501 HydrophobicContact CG1-CB 4.32Å; I451-L501 HydrophobicContact CG1-CD2 3.8Å; I451-L501 HydrophobicContact CG1-CG 3.85Å; I451-M502 HydrophobicContact CD1-CB 3.81Å; I451-M502 HydrophobicContact CD1-CG 4Å; I451-I507 HydrophobicContact CD1-CD1 3.79Å; I451-L532 HydrophobicContact CG2-CD1 3.87Å
452	P	87.9	Confident	84.8	Confident	44 Å²	44	52.4 Å²	52.4	29%	0.286	28%	0.281	S	S	.	.			trans	-71.8	108.5	-173	30.4	-36.6	0	0	0	110.8	A498 I530 L531 L532	P452-A498 HydrophobicContact CG-CB 4.29Å; P452-I530 VanDerWaalsContact CB-O 3.32Å; P452-I530 WeakPolarHBondContact CB-O 3.15Å; P452-I530 HydrophobicContact CG-CG1 4.29Å; P452-L531 HydrophobicContact CB-CD2 3.96Å; P452-L531 WeakPolarHBondContact O-CA 3.3Å; P452-L532 PolarHBondContact O-N 3.18Å
453	V	88.8	Confident	84.4	Confident	10 Å²	10	56.9 Å²	56.9	6%	0.061	30%	0.298	C	S	.	.			trans	-138.8	147.3	177.8	-59.7	0	0	0	0	110.3	L443 C446 R447 I451 L532 F535	L443-V453 HydrophobicContact CD2-CB 3.88Å; L443-V453 HydrophobicContact CD2-CG1 4.06Å; L443-V453 HydrophobicContact CD2-CG2 4.34Å; C446-V453 HydrophobicContact CB-CG1 3.78Å; C446-V453 HydrophobicContact CB-CG2 4.29Å; R447-V453 HydrophobicContact CB-CG2 3.87Å; I451-V453 HydrophobicContact CG2-CG1 4.27Å; I451-V453 PolarHBondContact O-N 3.06Å; I451-V453 VanDerWaalsContact O-N 3.11Å; V453-L532 HydrophobicContact CG1-CB 4.38Å; V453-L532 WeakPolarHBondContact CG1-O 3.41Å; V453-F535 HydrophobicContact CG1-CE2 3.68Å; V453-F535 HydrophobicContact CG1-CZ 4.11Å
454	P	85.6	Confident	83.9	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.032	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-66.3	149.5	177.1	27.4	-33.7	0	0	0	111.3	L468 V471 I533	P454-L468 HydrophobicContact CB-CB 4.23Å; P454-L468 HydrophobicContact CG-CB 4.2Å; P454-L468 HydrophobicContact CG-CD1 3.97Å; P454-L468 HydrophobicContact CG-CD2 4.27Å; P454-L468 HydrophobicContact CG-CG 4.38Å; P454-V471 HydrophobicContact CB-CG2 4.28Å; P454-I533 HydrophobicContact CG-CG2 3.9Å
455	P	83.5	Confident	83.9	Confident	41 Å²	41	54.7 Å²	54.7	27%	0.266	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-64.9	142.3	174.8	27.5	-32.5	0	0	0	110.2	Y457 L468 G469	P455-Y457 HydrophobicContact CB-CE1 4.33Å; P455-Y457 HydrophobicContact CG-CE1 4.22Å; P455-L468 CarbonylContact O-C 3.59Å; P455-L468 WeakPolarHBondContact O-CA 3.44Å; P455-G469 PolarHBondContact O-N 3.43Å
456	V	85.1	Confident	83.9	Confident	46 Å²	46	50.2 Å²	50.2	28%	0.279	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.5	172.6	-179.1	0	0	0	0	108.3	L443 L466 L468	L443-V456 HydrophobicContact CB-CG2 4.3Å; L443-V456 HydrophobicContact CD1-CG2 3.79Å; V456-L466 HydrophobicContact CG1-CD1 3.6Å; V456-L466 HydrophobicContact CG1-CG 4.33Å; V456-L468 HydrophobicContact CG2-CD2 3.87Å
457	Y	80.4	Confident	83.7	Confident	98 Å²	98	50.7 Å²	50.7	38%	0.384	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-36.5	176.9	-67.5	-40.3	0	0	0	113	V412 P455 V467 G469	V412-Y457 HydrophobicContact CG1-CD2 3.53Å; V412-Y457 HydrophobicContact CG1-CE2 3.78Å; P455-Y457 HydrophobicContact CB-CE1 4.33Å; P455-Y457 HydrophobicContact CG-CE1 4.22Å; Y457-V467 HydrophobicContact CD2-CG1 4.47Å; Y457-V467 PolarHBondContact N-O 3.03Å; Y457-G469 VanDerWaalsContact CE2-CA 3.44Å
458	F	82.6	Confident	83.6	Confident	90 Å²	90	44.3 Å²	44.3	40%	0.395	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	151.7	-176.4	173.6	-106.6	0	0	0	110.9	F407 D460 V467	F407-F458 HydrophobicContact CE1-CB 4.01Å; F407-F458 HydrophobicContact CE2-CB 4.2Å; F407-F458 HydrophobicContact CE2-CD1 4.38Å; F407-F458 HydrophobicContact CE2-CG 4.29Å; F407-F458 HydrophobicContact CZ-CB 3.62Å; F407-F458 HydrophobicContact CZ-CG 4.01Å; F458-D460 HydrophobicContact CE1-CB 3.57Å; F458-D460 HydrophobicContact CZ-CB 3.79Å; F458-V467 HydrophobicContact CB-CB 3.98Å; F458-V467 HydrophobicContact CB-CG2 4.07Å; F458-V467 HydrophobicContact CD1-CG2 3.8Å; F458-V467 HydrophobicContact CG-CG2 4.45Å; F458-V467 PolarHBondContact N-O 3.05Å; F458-V467 PolarHBondContact O-N 3.15Å
459	A	82.9	Confident	83.3	Confident	28 Å²	28	36.6 Å²	36.6	23%	0.231	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	130.1	172.5	0	0	0	0	0	109.3	L436 I440 R465 L466	L436-A459 HydrophobicContact CD2-CB 4.25Å; I440-A459 HydrophobicContact CD1-CB 3.5Å; I440-A459 VanDerWaalsContact CD1-CB 3.5Å; A459-R465 CarbonylContact C-O 3.55Å; A459-R465 WeakPolarHBondContact CA-O 3.31Å; A459-L466 HydrophobicContact CB-CD1 3.77Å
460	D	82	Confident	82.9	Confident	31 Å²	31	37.2 Å²	37.2	17%	0.166	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	95.4	171.9	-175.1	-15.2	0	0	0	108.6	F458 S462 K463 G464 R465	F458-D460 HydrophobicContact CE1-CB 3.57Å; F458-D460 HydrophobicContact CZ-CB 3.79Å; D460-S462 PolarHBondContact O-N 3.21Å; D460-S462 WeakPolarHBondContact OD1-CA 3.43Å; D460-S462 WeakPolarHBondContact OD1-CB 3.41Å; D460-S462 PolarHBondContact OD1-N 3.14Å; D460-S462 PolarHBondContact OD1-OG 3.27Å; D460-K463 HydrophobicContact CB-CB 4.37Å; D460-K463 PolarHBondContact O-N 3.15Å; D460-K463 PolarHBondContact OD1-N 3.01Å; D460-K463 VanDerWaalsContact OD1-N 3.17Å; D460-K463 WeakPolarHBondContact OD2-CD 3.34Å; D460-K463 WeakPolarHBondContact OD2-CE 3.49Å; D460-K463 VanDerWaalsContact OD2-CG 3.31Å; D460-K463 WeakPolarHBondContact OD2-CG 3.2Å; D460-K463 IonicContact OD2-NZ 3.9Å; D460-G464 PolarHBondContact O-N 2.9Å; D460-R465 HydrophobicContact CB-CB 4.37Å; D460-R465 PolarHBondContact N-O 2.68Å; D460-R465 PolarHBondContact O-N 2.81Å
461	A	75.4	Confident	82.3	Confident	8 Å²	8	35.4 Å²	35.4	7%	0.066	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.7	179.3	0	0	0	0	0	113	E342 K433 L436	E342-A461 VanDerWaalsContact OE1-CB 3.24Å; E342-A461 WeakPolarHBondContact OE1-CB 3.39Å; K433-A461 HydrophobicContact CG-CB 3.95Å; L436-A461 HydrophobicContact CD2-CB 3.83Å
462	S	71.2	Confident	81.3	Confident	86 Å²	86	41.6 Å²	41.6	60%	0.601	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-35.6	177.4	77	0	0	0	0	111.9	D460	D460-S462 PolarHBondContact O-N 3.21Å; D460-S462 WeakPolarHBondContact OD1-CA 3.43Å; D460-S462 WeakPolarHBondContact OD1-CB 3.41Å; D460-S462 PolarHBondContact OD1-N 3.14Å; D460-S462 PolarHBondContact OD1-OG 3.27Å
463	K	76.9	Confident	80.6	Confident	110 Å²	110	41.3 Å²	41.3	48%	0.478	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-4.7	176.3	-61.9	-176.9	-170.4	170.7	0	113.6	D460 R465	D460-K463 HydrophobicContact CB-CB 4.37Å; D460-K463 PolarHBondContact O-N 3.15Å; D460-K463 PolarHBondContact OD1-N 3.01Å; D460-K463 VanDerWaalsContact OD1-N 3.17Å; D460-K463 WeakPolarHBondContact OD2-CD 3.34Å; D460-K463 WeakPolarHBondContact OD2-CE 3.49Å; D460-K463 VanDerWaalsContact OD2-CG 3.31Å; D460-K463 WeakPolarHBondContact OD2-CG 3.2Å; D460-K463 IonicContact OD2-NZ 3.9Å; K463-R465 VanDerWaalsContact C-N 3.25Å; K463-R465 HydrophobicContact CB-CB 4.42Å; K463-R465 HydrophobicContact CB-CG 3.86Å; K463-R465 PolarHBondContact O-N 3.35Å
464	G	78.9	Confident	80.1	Confident	4 Å²	4	41.7 Å²	41.7	4%	0.041	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	32.4	-173.4	0	0	0	0	0	112.8	E416 R417 D460	E416-G464 WeakPolarHBondContact CA-O 3.42Å; R417-G464 PolarHBondContact N-O 3.38Å; D460-G464 PolarHBondContact O-N 2.9Å
465	R	84.9	Confident	79.7	Confident	45 Å²	45	43.7 Å²	43.7	17%	0.17	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.5	-175.2	-67.3	-179.9	-176.4	-167.1	-4.2	111.9	V414 K415 E416 A459 D460 K463	V414-R465 HydrophobicContact CG1-CB 4.42Å; V414-R465 HydrophobicContact CG1-CG 4.44Å; K415-R465 CarbonylContact O-C 3.56Å; K415-R465 WeakPolarHBondContact O-CA 3.31Å; E416-R465 HydrophobicContact CB-CG 4.04Å; E416-R465 VanDerWaalsContact CD-NE 3.35Å; E416-R465 HydrophobicContact CG-CG 3.95Å; E416-R465 IonicContact OE1-CZ 3.3Å; E416-R465 IonicContact OE1-NE 3.22Å; E416-R465 PolarHBondContact OE1-NE 3.18Å; E416-R465 IonicContact OE1-NH2 2.78Å; E416-R465 PolarHBondContact OE1-NH2 3.01Å; E416-R465 IonicContact OE2-CZ 2.69Å; E416-R465 IonicContact OE2-NE 3.45Å; E416-R465 IonicContact OE2-NH2 3.01Å; E416-R465 PolarHBondContact OE2-NH2 3.46Å; A459-R465 CarbonylContact C-O 3.55Å; A459-R465 WeakPolarHBondContact CA-O 3.31Å; D460-R465 HydrophobicContact CB-CB 4.37Å; D460-R465 PolarHBondContact N-O 2.68Å; D460-R465 PolarHBondContact O-N 2.81Å; K463-R465 VanDerWaalsContact C-N 3.25Å; K463-R465 HydrophobicContact CB-CB 4.42Å; K463-R465 HydrophobicContact CB-CG 3.86Å; K463-R465 PolarHBondContact O-N 3.35Å
466	L	86.6	Confident	79.5	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.6	169.2	-167.5	67.8	0	0	0	108.1	K415 L436 E439 I440 L443 V456 A459 L468	K415-L466 HydrophobicContact CB-CB 4.27Å; K415-L466 PolarHBondContact N-O 3.43Å; K415-L466 PolarHBondContact O-N 3.13Å; L436-L466 HydrophobicContact CD1-CB 4.16Å; L436-L466 HydrophobicContact CD1-CD1 4.31Å; E439-L466 HydrophobicContact CG-CD2 4.35Å; I440-L466 HydrophobicContact CD1-CD1 4.17Å; I440-L466 HydrophobicContact CG1-CD1 3.83Å; L443-L466 HydrophobicContact CD1-CD2 3.69Å; V456-L466 HydrophobicContact CG1-CD1 3.6Å; V456-L466 HydrophobicContact CG1-CG 4.33Å; A459-L466 HydrophobicContact CB-CD1 3.77Å; L466-L468 HydrophobicContact CD2-CD2 3.67Å; L466-L468 HydrophobicContact CD2-CG 4.32Å; L466-L468 HydrophobicContact CG-CD2 3.85Å; L466-L468 HydrophobicContact CG-CG 4.33Å
467	V	84.8	Confident	79.3	Confident	9 Å²	9	41.1 Å²	41.1	6%	0.055	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	113.8	176.2	-176.3	0	0	0	0	107.7	F407 V412 V414 Y457 F458	F407-V467 HydrophobicContact CB-CG1 4.08Å; F407-V467 HydrophobicContact CD1-CG1 4.18Å; F407-V467 HydrophobicContact CG-CG1 4.05Å; V412-V467 HydrophobicContact CB-CG1 3.65Å; V412-V467 HydrophobicContact CG1-CG1 3.79Å; V412-V467 HydrophobicContact CG2-CG1 3.72Å; V414-V467 HydrophobicContact CG2-CG2 4.36Å; Y457-V467 HydrophobicContact CD2-CG1 4.47Å; Y457-V467 PolarHBondContact N-O 3.03Å; F458-V467 HydrophobicContact CB-CB 3.98Å; F458-V467 HydrophobicContact CB-CG2 4.07Å; F458-V467 HydrophobicContact CD1-CG2 3.8Å; F458-V467 HydrophobicContact CG-CG2 4.45Å; F458-V467 PolarHBondContact N-O 3.05Å; F458-V467 PolarHBondContact O-N 3.15Å
468	L	85.1	Confident	79.2	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	157	-179	-59.4	175.9	0	0	0	110.3	V412 I413 L443 P454 P455 V456 L466 F470	V412-L468 WeakPolarHBondContact CB-O 3.11Å; I413-L468 HydrophobicContact CB-CB 4.4Å; I413-L468 PolarHBondContact N-O 3.16Å; I413-L468 PolarHBondContact O-N 2.82Å; L443-L468 HydrophobicContact CD1-CD2 4.36Å; P454-L468 HydrophobicContact CB-CB 4.23Å; P454-L468 HydrophobicContact CG-CB 4.2Å; P454-L468 HydrophobicContact CG-CD1 3.97Å; P454-L468 HydrophobicContact CG-CD2 4.27Å; P454-L468 HydrophobicContact CG-CG 4.38Å; P455-L468 CarbonylContact O-C 3.59Å; P455-L468 WeakPolarHBondContact O-CA 3.44Å; V456-L468 HydrophobicContact CG2-CD2 3.87Å; L466-L468 HydrophobicContact CD2-CD2 3.67Å; L466-L468 HydrophobicContact CD2-CG 4.32Å; L466-L468 HydrophobicContact CG-CD2 3.85Å; L466-L468 HydrophobicContact CG-CG 4.33Å; L468-F470 PolarHBondContact O-N 3.22Å
469	G	80.9	Confident	78.9	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	134.2	167.9	0	0	0	0	0	110.9	P455 Y457 V471	P455-G469 PolarHBondContact O-N 3.43Å; Y457-G469 VanDerWaalsContact CE2-CA 3.44Å; G469-V471 PolarHBondContact O-N 2.89Å
470	F	79.9	Confident	78.7	Confident	62 Å²	62	38.3 Å²	38.3	27%	0.272	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-66.9	134.7	169	-177	-105	0	0	0	109.6	H404 K411 I413 L468 E472	H404-F470 AromaticContact CD2-CD2 3.86Å; H404-F470 AromaticContact CD2-CE2 3.53Å; H404-F470 AromaticContact NE2-CE2 3.82Å; K411-F470 HydrophobicContact CB-CB 3.76Å; K411-F470 HydrophobicContact CB-CD1 3.75Å; K411-F470 HydrophobicContact CB-CD2 3.82Å; K411-F470 HydrophobicContact CB-CE1 4.25Å; K411-F470 HydrophobicContact CB-CE2 4.32Å; K411-F470 HydrophobicContact CB-CG 3.51Å; K411-F470 HydrophobicContact CD-CD1 4.08Å; K411-F470 HydrophobicContact CD-CE1 3.76Å; K411-F470 HydrophobicContact CD-CE2 4.42Å; K411-F470 HydrophobicContact CD-CZ 3.96Å; K411-F470 WeakPolarHBondContact O-CB 3.23Å; I413-F470 HydrophobicContact CG1-CD2 4.3Å; L468-F470 PolarHBondContact O-N 3.22Å; F470-E472 HydrophobicContact CD1-CB 4.32Å; F470-E472 HydrophobicContact CE1-CB 3.84Å; F470-E472 HydrophobicContact CE1-CG 4.07Å
471	V	75.3	Confident	78.4	Confident	17 Å²	17	37.1 Å²	37.1	10%	0.103	20%	0.204	C	C	.	.			trans	-115.6	108.4	176.1	-172.4	0	0	0	0	105.2	I413 P454 G469 G473 S474 V520 L531	I413-V471 HydrophobicContact CD1-CB 4.36Å; I413-V471 HydrophobicContact CD1-CG2 4.31Å; P454-V471 HydrophobicContact CB-CG2 4.28Å; G469-V471 PolarHBondContact O-N 2.89Å; V471-G473 PolarHBondContact O-N 3.06Å; V471-S474 PolarHBondContact O-N 3.28Å; V471-S474 PolarHBondContact O-OG 3.45Å; V471-V520 HydrophobicContact CG1-CB 4.17Å; V471-V520 HydrophobicContact CG1-CG1 3.8Å; V471-V520 HydrophobicContact CG1-CG2 3.36Å; V471-L531 HydrophobicContact CB-CD1 4.1Å; V471-L531 HydrophobicContact CG1-CD1 3.51Å; V471-L531 HydrophobicContact CG2-CD1 3.47Å; V471-L531 VanDerWaalsContact CG2-CD1 3.47Å
472	E	68.6	Low	78.4	Confident	134 Å²	134	40.2 Å²	40.2	63%	0.626	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	132.4	-175.1	-166.9	155.2	-142.1	0	0	110.2	F470 S474 N521	F470-E472 HydrophobicContact CD1-CB 4.32Å; F470-E472 HydrophobicContact CE1-CB 3.84Å; F470-E472 HydrophobicContact CE1-CG 4.07Å; E472-S474 PolarHBondContact O-N 3.45Å; E472-S474 VanDerWaalsContact O-N 3.17Å; E472-N521 PolarHBondContact O-OD1 2.88Å
473	G	72.7	Confident	78.5	Confident	38 Å²	38	40.8 Å²	40.8	39%	0.392	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	17.2	-178.3	0	0	0	0	0	114.8	V471 N521 P522	V471-G473 PolarHBondContact O-N 3.06Å; G473-N521 PolarHBondContact O-N 3.29Å; G473-P522 WeakPolarHBondContact O-CD 3.27Å
474	S	78.4	Confident	78.1	Confident	17 Å²	17	37 Å²	37	12%	0.119	21%	0.208	C	C	.	.			trans	-76.8	130.8	-178.9	70.9	0	0	0	0	112.7	V471 E472 V519	V471-S474 PolarHBondContact O-N 3.28Å; V471-S474 PolarHBondContact O-OG 3.45Å; E472-S474 PolarHBondContact O-N 3.45Å; E472-S474 VanDerWaalsContact O-N 3.17Å; S474-V519 CarbonylContact C-O 3.58Å; S474-V519 VanDerWaalsContact CA-O 3.23Å; S474-V519 WeakPolarHBondContact CA-O 3.36Å
475	V	77.4	Confident	77.5	Confident	48 Å²	48	40.7 Å²	40.7	29%	0.291	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.7	176.4	-177.4	0	0	0	0	108.9	L477 D479 V480 V519 P522	V475-L477 PolarHBondContact O-N 3.38Å; V475-D479 HydrophobicContact CG1-CB 3.77Å; V475-V480 HydrophobicContact CB-CG2 3.83Å; V475-V480 HydrophobicContact CG1-CG2 3.7Å; V475-V519 PolarHBondContact N-O 2.79Å; V475-V519 PolarHBondContact O-N 3.32Å; V475-P522 HydrophobicContact CB-CG 4.41Å; V475-P522 HydrophobicContact CG2-CG 3.85Å
476	P	78.6	Confident	76.3	Confident	31 Å²	31	42.9 Å²	42.9	20%	0.201	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	135.8	170.9	-24.6	34.8	0	0	0	111	K478 D479 I517 L518	P476-K478 HydrophobicContact CB-CG 3.81Å; P476-K478 PolarHBondContact O-N 2.92Å; P476-D479 WeakPolarHBondContact CD-OD2 3.29Å; P476-D479 WeakPolarHBondContact CG-OD2 3.24Å; P476-D479 PolarHBondContact O-N 3.41Å; P476-I517 CarbonylContact C-O 3.54Å; P476-I517 WeakPolarHBondContact CA-O 3.08Å; P476-L518 HydrophobicContact CG-CD2 4.26Å
477	L	82.4	Confident	74.9	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-54.1	-42.1	-177	177.4	63.9	0	0	0	110.7	V475 D479 V480 M481 L484 I517 V519 F558 F568	V475-L477 PolarHBondContact O-N 3.38Å; L477-D479 PolarHBondContact O-N 3.29Å; L477-V480 CarbonylContact O-C 3.53Å; L477-V480 PolarHBondContact O-N 2.92Å; L477-M481 HydrophobicContact CD1-CG 4.43Å; L477-M481 HydrophobicContact CD1-SD 3.53Å; L477-M481 VanDerWaalsContact CD1-SD 3.53Å; L477-M481 HydrophobicContact CD2-SD 3.94Å; L477-M481 HydrophobicContact CG-CG 4.07Å; L477-M481 HydrophobicContact CG-SD 3.47Å; L477-M481 WeakPolarHBondContact CG-SD 3.45Å; L477-M481 VanDerWaalsContact O-CG 3.28Å; L477-M481 WeakPolarHBondContact O-CG 3.46Å; L477-M481 PolarHBondContact O-N 3.36Å; L477-L484 HydrophobicContact CD1-CD1 4.14Å; L477-I517 HydrophobicContact CB-CB 3.85Å; L477-I517 HydrophobicContact CB-CG2 3.97Å; L477-I517 HydrophobicContact CD2-CB 4.04Å; L477-I517 HydrophobicContact CD2-CD1 3.78Å; L477-I517 HydrophobicContact CD2-CG2 3.9Å; L477-I517 PolarHBondContact N-O 3.46Å; L477-V519 HydrophobicContact CB-CG2 4.07Å; L477-V519 HydrophobicContact CD1-CG2 3.48Å; L477-V519 VanDerWaalsContact CD1-CG2 3.48Å; L477-V519 HydrophobicContact CG-CG2 4.37Å; L477-F558 HydrophobicContact CD2-CE1 3.8Å; L477-F558 HydrophobicContact CD2-CZ 3.85Å; L477-F568 HydrophobicContact CD2-CE1 4.2Å
478	K	77.5	Confident	73.9	Confident	56 Å²	56	48.9 Å²	48.9	24%	0.243	29%	0.286	C	S	.	.	H	α-helix	trans	-49.9	-30.9	175.1	62.6	158.8	-169	172.3	0	115.4	P476 S514	P476-K478 HydrophobicContact CB-CG 3.81Å; P476-K478 PolarHBondContact O-N 2.92Å; K478-S514 PolarHBondContact N-O 2.96Å
479	D	76.8	Confident	73.2	Confident	86 Å²	86	53.1 Å²	53.1	46%	0.46	31%	0.309	S	S	.	.	H	α-helix	trans	-88.7	-19.1	-176.3	-57.8	-31.9	0	0	0	110.7	V475 P476 L477	V475-D479 HydrophobicContact CG1-CB 3.77Å; P476-D479 WeakPolarHBondContact CD-OD2 3.29Å; P476-D479 WeakPolarHBondContact CG-OD2 3.24Å; P476-D479 PolarHBondContact O-N 3.41Å; L477-D479 PolarHBondContact O-N 3.29Å
480	V	77.6	Confident	73.3	Confident	14 Å²	14	58.8 Å²	58.8	9%	0.085	33%	0.334	C	S	.	.	H	α-helix	trans	-94.6	-28.3	175.5	-163.3	0	0	0	0	111.3	V475 L477 P482 T483 L484 P522	V475-V480 HydrophobicContact CB-CG2 3.83Å; V475-V480 HydrophobicContact CG1-CG2 3.7Å; L477-V480 CarbonylContact O-C 3.53Å; L477-V480 PolarHBondContact O-N 2.92Å; V480-P482 VanDerWaalsContact C-N 3.29Å; V480-P482 VanDerWaalsContact O-N 3.09Å; V480-T483 WeakPolarHBondContact O-CA 3.46Å; V480-T483 PolarHBondContact O-N 3.4Å; V480-T483 PolarHBondContact O-OG1 3.33Å; V480-L484 HydrophobicContact CB-CD2 4.24Å; V480-L484 HydrophobicContact CG1-CD2 3.56Å; V480-L484 HydrophobicContact CG1-CG 4.47Å; V480-L484 PolarHBondContact O-N 2.64Å; V480-P522 HydrophobicContact CG1-CB 4.28Å; V480-P522 HydrophobicContact CG2-CB 4.41Å
481	M	76.5	Confident	73.6	Confident	7 Å²	7	56 Å²	56	3%	0.034	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-44.8	-44	-178.7	-69.3	-54.3	-71.1	0	0	114	L477 T483 L484 F558 E565 F568	L477-M481 HydrophobicContact CD1-CG 4.43Å; L477-M481 HydrophobicContact CD1-SD 3.53Å; L477-M481 VanDerWaalsContact CD1-SD 3.53Å; L477-M481 HydrophobicContact CD2-SD 3.94Å; L477-M481 HydrophobicContact CG-CG 4.07Å; L477-M481 HydrophobicContact CG-SD 3.47Å; L477-M481 WeakPolarHBondContact CG-SD 3.45Å; L477-M481 VanDerWaalsContact O-CG 3.28Å; L477-M481 WeakPolarHBondContact O-CG 3.46Å; L477-M481 PolarHBondContact O-N 3.36Å; M481-T483 PolarHBondContact O-N 3.21Å; M481-T483 VanDerWaalsContact O-N 3.09Å; M481-L484 HydrophobicContact CE-CD1 4.04Å; M481-L484 HydrophobicContact CG-CD1 4.48Å; M481-L484 PolarHBondContact O-N 2.91Å; M481-L484 HydrophobicContact SD-CD1 3.38Å; M481-L484 WeakPolarHBondContact SD-CD1 3.19Å; M481-F558 HydrophobicContact CE-CD1 4.19Å; M481-F558 HydrophobicContact CE-CE1 4.22Å; M481-F558 HydrophobicContact SD-CE1 4.21Å; M481-E565 WeakPolarHBondContact CB-OE1 3.45Å; M481-E565 HydrophobicContact CE-CB 3.82Å; M481-E565 HydrophobicContact CE-CG 3.39Å; M481-E565 WeakPolarHBondContact CE-OE2 3.43Å; M481-E565 WeakPolarHBondContact CG-OE1 3.44Å; M481-F568 HydrophobicContact CE-CB 4.12Å; M481-F568 HydrophobicContact CE-CD1 3.75Å; M481-F568 HydrophobicContact CE-CE1 4.36Å; M481-F568 HydrophobicContact CE-CG 3.95Å; M481-F568 HydrophobicContact SD-CD1 4.35Å; M481-F568 HydrophobicContact SD-CE1 4.38Å
482	P	74.5	Confident	74.3	Confident	72 Å²	72	55.1 Å²	55.1	47%	0.468	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-65.9	-13.4	-179.7	-21.5	34.8	0	0	0	114.7	V480	V480-P482 VanDerWaalsContact C-N 3.29Å; V480-P482 VanDerWaalsContact O-N 3.09Å
483	T	73.5	Confident	75.3	Confident	99 Å²	99	53.1 Å²	53.1	61%	0.607	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-106.7	-11.1	-179	61.9	0	0	0	0	113.6	V480 M481 T485	V480-T483 WeakPolarHBondContact O-CA 3.46Å; V480-T483 PolarHBondContact O-N 3.4Å; V480-T483 PolarHBondContact O-OG1 3.33Å; M481-T483 PolarHBondContact O-N 3.21Å; M481-T483 VanDerWaalsContact O-N 3.09Å; T483-T485 PolarHBondContact O-N 2.8Å
484	L	69.8	Low	76.1	Confident	31 Å²	31	53.7 Å²	53.7	16%	0.162	30%	0.3	C	S	.	.			trans	-69	121.1	179.4	-54.2	177.4	0	0	0	108.8	L477 V480 M481 E488 L491 F568	L477-L484 HydrophobicContact CD1-CD1 4.14Å; V480-L484 HydrophobicContact CB-CD2 4.24Å; V480-L484 HydrophobicContact CG1-CD2 3.56Å; V480-L484 HydrophobicContact CG1-CG 4.47Å; V480-L484 PolarHBondContact O-N 2.64Å; M481-L484 HydrophobicContact CE-CD1 4.04Å; M481-L484 HydrophobicContact CG-CD1 4.48Å; M481-L484 PolarHBondContact O-N 2.91Å; M481-L484 HydrophobicContact SD-CD1 3.38Å; M481-L484 WeakPolarHBondContact SD-CD1 3.19Å; L484-E488 WeakPolarHBondContact CB-OE2 3.41Å; L484-E488 WeakPolarHBondContact CD2-OE2 3.25Å; L484-E488 VanDerWaalsContact CG-OE2 3.31Å; L484-E488 WeakPolarHBondContact CG-OE2 3.41Å; L484-L491 HydrophobicContact CD2-CD1 3.8Å; L484-F568 HydrophobicContact CD1-CD2 4.33Å; L484-F568 HydrophobicContact CD1-CE2 4.2Å
485	T	65.2	Low	76.7	Confident	81 Å²	81	53 Å²	53	50%	0.497	29%	0.294	S	S	.	.			trans	-82.5	158.5	172.4	54.4	0	0	0	0	110.5	T483 T487 E488	T483-T485 PolarHBondContact O-N 2.8Å; T485-T487 PolarHBondContact O-N 3.29Å; T485-T487 PolarHBondContact OG1-OG1 3.36Å; T485-E488 PolarHBondContact O-N 3.47Å; T485-E488 VanDerWaalsContact O-N 3.12Å
486	S	59.7	Low	77.5	Confident	90 Å²	90	50.7 Å²	50.7	63%	0.629	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	5.3	177.8	67.8	0	0	0	0	115.3	W567	S486-W567 WeakPolarHBondContact O-CH2 3.49Å; S486-W567 WeakPolarHBondContact O-CZ2 3.26Å
487	T	58	Low	78.2	Confident	101 Å²	101	51.8 Å²	51.8	62%	0.62	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-0.1	179.8	53.2	0	0	0	0	112.5	T485 D489	T485-T487 PolarHBondContact O-N 3.29Å; T485-T487 PolarHBondContact OG1-OG1 3.36Å; T487-D489 PolarHBondContact O-N 2.88Å
488	E	63.8	Low	78.7	Confident	36 Å²	36	51.9 Å²	51.9	17%	0.168	29%	0.288	C	S	.	.			trans	-85.6	58.1	-175.5	-67.4	-172	173.4	0	0	113.4	L484 T485 K490 L491	L484-E488 WeakPolarHBondContact CB-OE2 3.41Å; L484-E488 WeakPolarHBondContact CD2-OE2 3.25Å; L484-E488 VanDerWaalsContact CG-OE2 3.31Å; L484-E488 WeakPolarHBondContact CG-OE2 3.41Å; T485-E488 PolarHBondContact O-N 3.47Å; T485-E488 VanDerWaalsContact O-N 3.12Å; E488-K490 PolarHBondContact O-N 2.68Å; E488-K490 VanDerWaalsContact O-N 3.14Å; E488-L491 PolarHBondContact O-N 3.47Å
489	D	70.6	Confident	79.5	Confident	94 Å²	94	49.4 Å²	49.4	50%	0.503	28%	0.277	S	S	.	.	H	α-helix	trans	-58.1	-28.9	-178.8	-68.4	-29.2	0	0	0	113.2	T487 S492 E493 W567	T487-D489 PolarHBondContact O-N 2.88Å; D489-S492 PolarHBondContact O-OG 2.84Å; D489-E493 VanDerWaalsContact O-CB 3.24Å; D489-E493 WeakPolarHBondContact O-CB 3.33Å; D489-E493 PolarHBondContact O-N 2.83Å; D489-W567 WeakPolarHBondContact OD1-CH2 3.32Å; D489-W567 WeakPolarHBondContact OD1-CZ2 3.31Å
490	K	83.3	Confident	80.4	Confident	118 Å²	118	45.4 Å²	45.4	51%	0.513	26%	0.256	S	S	.	.	H	α-helix	trans	-71.3	-36.5	-174.2	-168.8	179.3	-179.4	-173.7	0	113.3	E488 Q494	E488-K490 PolarHBondContact O-N 2.68Å; E488-K490 VanDerWaalsContact O-N 3.14Å; K490-Q494 WeakPolarHBondContact O-CB 3.46Å; K490-Q494 VanDerWaalsContact O-CG 3.28Å; K490-Q494 WeakPolarHBondContact O-CG 3.18Å; K490-Q494 PolarHBondContact O-N 3.11Å
491	L	86.1	Confident	81.1	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-74	-43.1	-178.1	-85.4	178.6	0	0	0	111.5	L484 E488 E493 Q494 L495 V519 A527 I530 F568	L484-L491 HydrophobicContact CD2-CD1 3.8Å; E488-L491 PolarHBondContact O-N 3.47Å; L491-E493 VanDerWaalsContact C-N 3.31Å; L491-Q494 PolarHBondContact O-N 2.9Å; L491-L495 WeakPolarHBondContact O-CB 3.18Å; L491-L495 PolarHBondContact O-N 3.34Å; L491-V519 HydrophobicContact CD2-CG1 4.25Å; L491-V519 HydrophobicContact CD2-CG2 4.48Å; L491-A527 HydrophobicContact CD1-CB 3.43Å; L491-A527 VanDerWaalsContact CD1-CB 3.43Å; L491-A527 HydrophobicContact CD2-CB 3.69Å; L491-A527 HydrophobicContact CG-CB 3.57Å; L491-I530 HydrophobicContact CD2-CG2 3.68Å; L491-F568 HydrophobicContact CB-CE2 3.73Å; L491-F568 HydrophobicContact CB-CZ 3.95Å
492	S	88.7	Confident	82	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-39.1	175.1	62.4	0	0	0	0	110.8	D489 L495 G496 S571 A572	D489-S492 PolarHBondContact O-OG 2.84Å; S492-L495 PolarHBondContact O-N 2.92Å; S492-G496 PolarHBondContact O-N 3.28Å; S492-S571 WeakPolarHBondContact CB-OG 3.42Å; S492-S571 PolarHBondContact OG-OG 3.08Å; S492-A572 VanDerWaalsContact O-CA 3.31Å; S492-A572 WeakPolarHBondContact O-CA 3.39Å; S492-A572 WeakPolarHBondContact O-CB 3.42Å
493	E	89.8	Confident	82.9	Confident	92 Å²	92	43.9 Å²	43.9	43%	0.43	24%	0.243	S	C	.	.	H	α-helix	trans	-57.5	-54.9	171.3	178	-178.2	-173.9	0	0	111.7	D489 L491 L495 G496 V497	D489-E493 VanDerWaalsContact O-CB 3.24Å; D489-E493 WeakPolarHBondContact O-CB 3.33Å; D489-E493 PolarHBondContact O-N 2.83Å; L491-E493 VanDerWaalsContact C-N 3.31Å; E493-L495 VanDerWaalsContact C-N 3.27Å; E493-L495 PolarHBondContact O-N 2.83Å; E493-G496 PolarHBondContact O-N 3.16Å; E493-V497 HydrophobicContact CG-CG2 4.38Å; E493-V497 VanDerWaalsContact O-CG2 3.29Å; E493-V497 WeakPolarHBondContact O-CG2 3.44Å; E493-V497 PolarHBondContact O-N 2.88Å
494	Q	89.5	Confident	83.9	Confident	50 Å²	50	41.9 Å²	41.9	23%	0.234	23%	0.231	C	C	.	.	H	α-helix	trans	-58.7	-40.4	-179.5	-76.9	-178.7	-14.9	0	0	112.1	K490 L491 A498 S528 S529 I530	K490-Q494 WeakPolarHBondContact O-CB 3.46Å; K490-Q494 VanDerWaalsContact O-CG 3.28Å; K490-Q494 WeakPolarHBondContact O-CG 3.18Å; K490-Q494 PolarHBondContact O-N 3.11Å; L491-Q494 PolarHBondContact O-N 2.9Å; Q494-A498 WeakPolarHBondContact O-CB 3.3Å; Q494-A498 PolarHBondContact O-N 2.81Å; Q494-S528 PolarHBondContact NE2-O 2.91Å; Q494-S528 VanDerWaalsContact NE2-O 3.1Å; Q494-S529 VanDerWaalsContact OE1-CA 3.27Å; Q494-I530 HydrophobicContact CB-CD1 4.31Å; Q494-I530 HydrophobicContact CB-CG1 4.14Å; Q494-I530 HydrophobicContact CB-CG2 4.43Å; Q494-I530 WeakPolarHBondContact O-CD1 3.47Å
495	L	92.1	Very high	84.9	Confident	1 Å²	1	42 Å²	42	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-49.7	175.8	-176.3	60.2	0	0	0	111.6	L491 S492 E493 V497 A498 L499 I517 I530 L554 F558 F568 A572	L491-L495 WeakPolarHBondContact O-CB 3.18Å; L491-L495 PolarHBondContact O-N 3.34Å; S492-L495 PolarHBondContact O-N 2.92Å; E493-L495 VanDerWaalsContact C-N 3.27Å; E493-L495 PolarHBondContact O-N 2.83Å; L495-V497 VanDerWaalsContact C-N 3.31Å; L495-V497 PolarHBondContact O-N 2.92Å; L495-A498 PolarHBondContact O-N 3.3Å; L495-L499 HydrophobicContact CD1-CD1 4.07Å; L495-L499 HydrophobicContact CD1-CG 4.13Å; L495-L499 HydrophobicContact CG-CD1 3.96Å; L495-L499 HydrophobicContact CG-CG 4.42Å; L495-L499 WeakPolarHBondContact O-CB 3.42Å; L495-L499 VanDerWaalsContact O-CG 3.23Å; L495-L499 WeakPolarHBondContact O-CG 3.37Å; L495-L499 PolarHBondContact O-N 3.49Å; L495-I517 HydrophobicContact CD1-CD1 3.85Å; L495-I517 HydrophobicContact CD2-CD1 4.32Å; L495-I530 HydrophobicContact CB-CD1 3.99Å; L495-I530 HydrophobicContact CD1-CD1 3.93Å; L495-L554 HydrophobicContact CD2-CD2 4.46Å; L495-F558 HydrophobicContact CD2-CE2 4.09Å; L495-F558 HydrophobicContact CD2-CZ 3.88Å; L495-F568 HydrophobicContact CD2-CE1 3.75Å; L495-F568 HydrophobicContact CD2-CZ 4.41Å; L495-A572 HydrophobicContact CB-CB 4.32Å; L495-A572 HydrophobicContact CD2-CB 4.14Å; L495-A572 HydrophobicContact CG-CB 4.31Å
496	G	93.3	Very high	86.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.7	-44.8	177.2	0	0	0	0	0	112.6	S492 E493 L499 A500 A572 Y576	S492-G496 PolarHBondContact O-N 3.28Å; E493-G496 PolarHBondContact O-N 3.16Å; G496-L499 PolarHBondContact O-N 2.84Å; G496-A500 WeakPolarHBondContact O-CB 3.06Å; G496-A500 PolarHBondContact O-N 2.97Å; G496-A572 WeakPolarHBondContact CA-O 3.49Å; G496-Y576 WeakPolarHBondContact O-CA 3.34Å
497	V	93.3	Very high	87.7	Confident	54 Å²	54	35.7 Å²	35.7	33%	0.327	19%	0.192	S	C	.	.	H	α-helix	trans	-64	-45.5	177.1	173.5	0	0	0	0	111.6	E493 L495 L499 A500 L501	E493-V497 HydrophobicContact CG-CG2 4.38Å; E493-V497 VanDerWaalsContact O-CG2 3.29Å; E493-V497 WeakPolarHBondContact O-CG2 3.44Å; E493-V497 PolarHBondContact O-N 2.88Å; L495-V497 VanDerWaalsContact C-N 3.31Å; L495-V497 PolarHBondContact O-N 2.92Å; V497-L499 PolarHBondContact O-N 3.44Å; V497-A500 PolarHBondContact O-N 2.88Å; V497-L501 WeakPolarHBondContact O-CB 3.4Å; V497-L501 PolarHBondContact O-N 3.46Å
498	A	92.9	Very high	89.4	Confident	5 Å²	5	31 Å²	31	4%	0.041	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-42	178.9	0	0	0	0	0	112	P452 Q494 L495 L501 M502 I530	P452-A498 HydrophobicContact CG-CB 4.29Å; Q494-A498 WeakPolarHBondContact O-CB 3.3Å; Q494-A498 PolarHBondContact O-N 2.81Å; L495-A498 PolarHBondContact O-N 3.3Å; A498-L501 PolarHBondContact O-N 3.39Å; A498-M502 WeakPolarHBondContact O-CB 3.34Å; A498-M502 PolarHBondContact O-N 3.49Å; A498-I530 HydrophobicContact CB-CD1 3.83Å
499	L	94.8	Very high	90.7	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-66.2	-40.5	176.1	-64.9	174.3	0	0	0	111.8	L495 G496 V497 L501 M502 H503 L512 L551 L554 Y576	L495-L499 HydrophobicContact CD1-CD1 4.07Å; L495-L499 HydrophobicContact CD1-CG 4.13Å; L495-L499 HydrophobicContact CG-CD1 3.96Å; L495-L499 HydrophobicContact CG-CG 4.42Å; L495-L499 WeakPolarHBondContact O-CB 3.42Å; L495-L499 VanDerWaalsContact O-CG 3.23Å; L495-L499 WeakPolarHBondContact O-CG 3.37Å; L495-L499 PolarHBondContact O-N 3.49Å; G496-L499 PolarHBondContact O-N 2.84Å; V497-L499 PolarHBondContact O-N 3.44Å; L499-L501 VanDerWaalsContact C-N 3.33Å; L499-L501 PolarHBondContact O-N 2.8Å; L499-M502 HydrophobicContact CD2-CE 4.02Å; L499-M502 WeakPolarHBondContact O-CB 3.46Å; L499-M502 PolarHBondContact O-N 3.26Å; L499-H503 PolarHBondContact O-N 3.22Å; L499-L512 HydrophobicContact CD2-CD2 3.42Å; L499-L512 VanDerWaalsContact CD2-CD2 3.42Å; L499-L551 HydrophobicContact CD1-CD2 4.02Å; L499-L554 HydrophobicContact CD1-CD2 3.77Å; L499-Y576 HydrophobicContact CB-CD2 3.74Å; L499-Y576 HydrophobicContact CB-CE2 4.28Å
500	A	94.8	Very high	91.4	Very high	2 Å²	2	25.8 Å²	25.8	2%	0.017	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-42.1	177.1	0	0	0	0	0	111.5	G496 V497 T504 Y576 N579 A580	G496-A500 WeakPolarHBondContact O-CB 3.06Å; G496-A500 PolarHBondContact O-N 2.97Å; V497-A500 PolarHBondContact O-N 2.88Å; A500-T504 WeakPolarHBondContact O-CB 3.46Å; A500-T504 PolarHBondContact O-N 3.16Å; A500-T504 PolarHBondContact O-OG1 2.78Å; A500-Y576 HydrophobicContact CB-CD2 3.95Å; A500-Y576 HydrophobicContact CB-CE2 4.36Å; A500-N579 HydrophobicContact CB-CB 3.57Å; A500-A580 HydrophobicContact CB-CB 3.9Å
501	L	93.9	Very high	91.4	Very high	58 Å²	58	22.7 Å²	22.7	30%	0.304	13%	0.13	S	C	.	.	H	α-helix	trans	-64.9	-43.6	175.8	-176.1	60.4	0	0	0	111.6	V449 I451 V497 A498 L499 T504 T505	V449-L501 WeakPolarHBondContact O-CD2 3.29Å; I451-L501 HydrophobicContact CG1-CB 4.32Å; I451-L501 HydrophobicContact CG1-CD2 3.8Å; I451-L501 HydrophobicContact CG1-CG 3.85Å; V497-L501 WeakPolarHBondContact O-CB 3.4Å; V497-L501 PolarHBondContact O-N 3.46Å; A498-L501 PolarHBondContact O-N 3.39Å; L499-L501 VanDerWaalsContact C-N 3.33Å; L499-L501 PolarHBondContact O-N 2.8Å; L501-T504 PolarHBondContact O-N 3.37Å; L501-T505 HydrophobicContact CD1-CG2 4.34Å; L501-T505 WeakPolarHBondContact O-CB 3.3Å; L501-T505 VanDerWaalsContact O-CG2 3.3Å; L501-T505 WeakPolarHBondContact O-CG2 3.49Å; L501-T505 PolarHBondContact O-N 3.28Å; L501-T505 PolarHBondContact O-OG1 3.01Å
502	M	93.9	Very high	91.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.2	-53.6	175.3	-164.9	-179.1	69.1	0	0	111.5	I451 A498 L499 T504 T505 S506 I507 H509 L532 F535 D550	I451-M502 HydrophobicContact CD1-CB 3.81Å; I451-M502 HydrophobicContact CD1-CG 4Å; A498-M502 WeakPolarHBondContact O-CB 3.34Å; A498-M502 PolarHBondContact O-N 3.49Å; L499-M502 HydrophobicContact CD2-CE 4.02Å; L499-M502 WeakPolarHBondContact O-CB 3.46Å; L499-M502 PolarHBondContact O-N 3.26Å; M502-T504 PolarHBondContact O-N 3.44Å; M502-T505 CarbonylContact O-C 3.5Å; M502-T505 PolarHBondContact O-N 3.29Å; M502-T505 PolarHBondContact O-OG1 2.57Å; M502-S506 PolarHBondContact O-N 3.19Å; M502-I507 CarbonylContact C-O 3.57Å; M502-I507 HydrophobicContact CG-CB 3.62Å; M502-I507 HydrophobicContact CG-CG2 3.61Å; M502-I507 WeakPolarHBondContact CG-O 3.46Å; M502-I507 PolarHBondContact O-N 3.3Å; M502-I507 HydrophobicContact SD-CG2 4.27Å; M502-H509 HydrophobicContact CE-CB 3.96Å; M502-H509 HydrophobicContact SD-CB 4Å; M502-L532 HydrophobicContact SD-CD1 4.45Å; M502-F535 HydrophobicContact SD-CE1 4.18Å; M502-D550 WeakPolarHBondContact CE-OD2 3.37Å
503	H	94.9	Very high	91.3	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-70.7	-34.2	-178.5	-69.2	177.5	0	0	0	113.4	L499 T505 S506 I507 K547 D550 Y576	L499-H503 PolarHBondContact O-N 3.22Å; H503-T505 PolarHBondContact O-N 3.27Å; H503-S506 PolarHBondContact O-N 2.88Å; H503-S506 VanDerWaalsContact O-N 3.11Å; H503-I507 PolarHBondContact CD2-O 2.91Å; H503-K547 HydrophobicContact CB-CD 4Å; H503-K547 HydrophobicContact CB-CG 3.97Å; H503-K547 PolarHBondContact CE1-O 3.14Å; H503-K547 VanDerWaalsContact CE1-O 3.31Å; H503-K547 VanDerWaalsContact O-CE 3.32Å; H503-K547 WeakPolarHBondContact O-CE 3.49Å; H503-D550 IonicContact NE2-OD2 3.42Å; H503-D550 PolarHBondContact NE2-OD2 2.99Å; H503-Y576 HydrophobicContact CB-CE2 4.09Å; H503-Y576 AromaticContact CG-CE2 3.94Å; H503-Y576 AromaticContact ND1-CE2 3.28Å; H503-Y576 VanDerWaalsContact ND1-CE2 3.28Å; H503-Y576 WeakPolarHBondContact ND1-CE2 3.11Å; H503-Y576 AromaticContact ND1-CZ 3.43Å; H503-Y576 PolarHBondContact ND1-OH 3.35Å
504	T	93	Very high	90.8	Very high	57 Å²	57	19.7 Å²	19.7	35%	0.35	12%	0.119	S	C	.	.	H	α-helix	trans	-66.7	-29.2	175.4	-59.5	0	0	0	0	111.5	A500 L501 M502 S506 K581	A500-T504 WeakPolarHBondContact O-CB 3.46Å; A500-T504 PolarHBondContact O-N 3.16Å; A500-T504 PolarHBondContact O-OG1 2.78Å; L501-T504 PolarHBondContact O-N 3.37Å; M502-T504 PolarHBondContact O-N 3.44Å; T504-S506 VanDerWaalsContact C-N 3.27Å; T504-S506 PolarHBondContact O-N 2.95Å; T504-K581 HydrophobicContact CG2-CD 4.2Å; T504-K581 HydrophobicContact CG2-CG 4.27Å
505	T	91.8	Very high	90.2	Very high	35 Å²	35	19.6 Å²	19.6	22%	0.215	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	11.5	175.3	59	0	0	0	0	113.4	R445 V449 L501 M502 H503 I507	R445-T505 PolarHBondContact NH2-O 3.46Å; V449-T505 HydrophobicContact CB-CG2 3.9Å; V449-T505 HydrophobicContact CG1-CG2 3.9Å; V449-T505 HydrophobicContact CG2-CG2 4.18Å; L501-T505 HydrophobicContact CD1-CG2 4.34Å; L501-T505 WeakPolarHBondContact O-CB 3.3Å; L501-T505 VanDerWaalsContact O-CG2 3.3Å; L501-T505 WeakPolarHBondContact O-CG2 3.49Å; L501-T505 PolarHBondContact O-N 3.28Å; L501-T505 PolarHBondContact O-OG1 3.01Å; M502-T505 CarbonylContact O-C 3.5Å; M502-T505 PolarHBondContact O-N 3.29Å; M502-T505 PolarHBondContact O-OG1 2.57Å; H503-T505 PolarHBondContact O-N 3.27Å; T505-I507 PolarHBondContact O-N 3.18Å
506	S	91.8	Very high	89.9	Confident	33 Å²	33	19.9 Å²	19.9	23%	0.231	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	21.4	-179.2	-53	0	0	0	0	114	M502 H503 T504 V540 S541	M502-S506 PolarHBondContact O-N 3.19Å; H503-S506 PolarHBondContact O-N 2.88Å; H503-S506 VanDerWaalsContact O-N 3.11Å; T504-S506 VanDerWaalsContact C-N 3.27Å; T504-S506 PolarHBondContact O-N 2.95Å; S506-V540 CarbonylContact O-C 3.46Å; S506-V540 WeakPolarHBondContact O-CA 3.48Å; S506-V540 WeakPolarHBondContact O-CG1 3.42Å; S506-S541 WeakPolarHBondContact CA-O 3.49Å; S506-S541 WeakPolarHBondContact CB-O 3.49Å; S506-S541 PolarHBondContact O-N 3.29Å
507	I	92.1	Very high	89.6	Confident	4 Å²	4	19.9 Å²	19.9	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	130	173.6	-59	172.4	0	0	0	106.9	R445 V449 I451 M502 H503 T505	R445-I507 HydrophobicContact CG-CD1 3.93Å; R445-I507 HydrophobicContact CG-CG1 4.49Å; V449-I507 HydrophobicContact CG2-CD1 3.99Å; I451-I507 HydrophobicContact CD1-CD1 3.79Å; M502-I507 CarbonylContact C-O 3.57Å; M502-I507 HydrophobicContact CG-CB 3.62Å; M502-I507 HydrophobicContact CG-CG2 3.61Å; M502-I507 WeakPolarHBondContact CG-O 3.46Å; M502-I507 PolarHBondContact O-N 3.3Å; M502-I507 HydrophobicContact SD-CG2 4.27Å; H503-I507 PolarHBondContact CD2-O 2.91Å; T505-I507 PolarHBondContact O-N 3.18Å
508	I	92.6	Very high	89.2	Confident	2 Å²	2	17.8 Å²	17.8	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.3	171.9	-53	-60.4	0	0	0	106.6	S538 F539 D546 K547 D550	I508-S538 CarbonylContact O-C 3.56Å; I508-S538 WeakPolarHBondContact O-CA 3.47Å; I508-S538 WeakPolarHBondContact O-CB 3.31Å; I508-F539 HydrophobicContact CB-CD1 4.3Å; I508-F539 HydrophobicContact CB-CD2 4.17Å; I508-F539 HydrophobicContact CB-CE1 4.04Å; I508-F539 HydrophobicContact CB-CE2 3.91Å; I508-F539 HydrophobicContact CB-CG 4.37Å; I508-F539 HydrophobicContact CB-CZ 3.84Å; I508-F539 HydrophobicContact CG1-CD2 4.27Å; I508-F539 HydrophobicContact CG1-CE2 3.89Å; I508-F539 HydrophobicContact CG1-CZ 4.21Å; I508-F539 HydrophobicContact CG2-CD1 4.37Å; I508-F539 HydrophobicContact CG2-CE1 3.67Å; I508-F539 HydrophobicContact CG2-CE2 4.06Å; I508-F539 HydrophobicContact CG2-CZ 3.49Å; I508-F539 VanDerWaalsContact CG2-CZ 3.49Å; I508-F539 PolarHBondContact N-O 2.9Å; I508-F539 PolarHBondContact O-N 3.21Å; I508-D546 HydrophobicContact CD1-CB 4.26Å; I508-D546 HydrophobicContact CG1-CB 4.16Å; I508-K547 HydrophobicContact CD1-CB 4.3Å; I508-K547 HydrophobicContact CD1-CG 3.56Å; I508-D550 HydrophobicContact CG2-CB 3.99Å
509	H	91	Very high	88.7	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.11	C	C	.	.			trans	-71.7	-39.3	-178.3	-173.7	-63.9	0	0	0	111.1	M502 D511 L512 N516 I533 D534 F535 L537 S538 D550	M502-H509 HydrophobicContact CE-CB 3.96Å; M502-H509 HydrophobicContact SD-CB 4Å; H509-D511 PolarHBondContact CE1-O 3.2Å; H509-D511 VanDerWaalsContact CE1-O 3.22Å; H509-D511 VanDerWaalsContact ND1-C 3.33Å; H509-D511 PolarHBondContact ND1-O 2.92Å; H509-D511 PolarHBondContact O-N 3.28Å; H509-L512 HydrophobicContact CB-CB 3.96Å; H509-L512 HydrophobicContact CB-CD1 4.39Å; H509-L512 PolarHBondContact ND1-N 3.45Å; H509-N516 PolarHBondContact CE1-ND2 3.39Å; H509-I533 PolarHBondContact NE2-O 2.91Å; H509-D534 PolarHBondContact CE1-O 3.33Å; H509-D534 PolarHBondContact NE2-O 3.11Å; H509-F535 AromaticContact CD2-CD1 3.95Å; H509-F535 AromaticContact CD2-CE1 3.71Å; H509-L537 CarbonylContact O-C 3.51Å; H509-L537 VanDerWaalsContact O-C 3.3Å; H509-S538 WeakPolarHBondContact O-CA 3.35Å; H509-S538 PolarHBondContact O-N 2.76Å; H509-S538 VanDerWaalsContact O-N 3.09Å; H509-D550 WeakPolarHBondContact CB-OD2 3.25Å; H509-D550 PolarHBondContact N-OD2 3.46Å
510	G	84.8	Confident	87.9	Confident	22 Å²	22	18 Å²	18	23%	0.227	11%	0.113	C	C	.	.	S	Bend	trans	81.3	-4.7	170.3	0	0	0	0	0	115.2	D550	G510-D550 PolarHBondContact N-OD1 3.46Å
511	D	84.7	Confident	86.8	Confident	53 Å²	53	21.7 Å²	21.7	28%	0.283	13%	0.133	S	C	.	.	S	Bend	trans	-166.8	55.8	176.2	-166.8	21	0	0	0	109.5	H509 T513 N516 L537	H509-D511 PolarHBondContact CE1-O 3.2Å; H509-D511 VanDerWaalsContact CE1-O 3.22Å; H509-D511 VanDerWaalsContact ND1-C 3.33Å; H509-D511 PolarHBondContact ND1-O 2.92Å; H509-D511 PolarHBondContact O-N 3.28Å; D511-T513 PolarHBondContact O-N 3.46Å; D511-N516 PolarHBondContact O-ND2 2.96Å; D511-N516 PolarHBondContact O-OD1 2.95Å; D511-L537 HydrophobicContact CB-CB 4.28Å; D511-L537 HydrophobicContact CB-CD1 3.79Å
512	L	87.2	Confident	85.3	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.13	C	C	.	.			trans	-84.6	98.6	-172.8	-178.1	61.2	0	0	0	110.7	L499 H509 L532 L554	L499-L512 HydrophobicContact CD2-CD2 3.42Å; L499-L512 VanDerWaalsContact CD2-CD2 3.42Å; H509-L512 HydrophobicContact CB-CB 3.96Å; H509-L512 HydrophobicContact CB-CD1 4.39Å; H509-L512 PolarHBondContact ND1-N 3.45Å; L512-L532 HydrophobicContact CD1-CD2 4.02Å; L512-L554 HydrophobicContact CD2-CB 4.18Å; L512-L554 HydrophobicContact CD2-CD2 3.96Å; L512-L554 HydrophobicContact CD2-CG 4.47Å; L512-L554 HydrophobicContact CG-CB 4.28Å; L512-L554 HydrophobicContact CG-CD1 4.23Å; L512-L554 HydrophobicContact CG-CD2 4.46Å; L512-L554 WeakPolarHBondContact O-CA 3.41Å; L512-L554 PolarHBondContact O-N 2.92Å
513	T	84.2	Confident	83.6	Confident	25 Å²	25	28.7 Å²	28.7	15%	0.153	17%	0.167	C	C	.	.			trans	-111.3	164.3	176.8	83.2	0	0	0	0	111.9	D511 S515 N516 T557	D511-T513 PolarHBondContact O-N 3.46Å; T513-S515 PolarHBondContact O-N 3.41Å; T513-S515 PolarHBondContact OG1-N 3.44Å; T513-S515 PolarHBondContact OG1-OG 3.33Å; T513-N516 WeakPolarHBondContact CB-OD1 3.3Å; T513-N516 PolarHBondContact N-OD1 3.46Å; T513-N516 VanDerWaalsContact N-OD1 3.17Å; T513-N516 WeakPolarHBondContact O-CB 3.23Å; T513-N516 PolarHBondContact O-N 2.63Å; T513-N516 PolarHBondContact O-OD1 3.49Å; T513-N516 PolarHBondContact OG1-OD1 3.03Å; T513-T557 HydrophobicContact CG2-CG2 3.69Å
514	S	80.2	Confident	81.4	Confident	7 Å²	7	36.8 Å²	36.8	5%	0.049	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-56.9	-19.7	172.1	56.9	0	0	0	0	113.9	K478 S561	K478-S514 PolarHBondContact N-O 2.96Å; S514-S561 PolarHBondContact OG-OG 2.91Å
515	S	77.5	Confident	79.4	Confident	48 Å²	48	37 Å²	37	34%	0.336	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-82	-16.4	174.7	74.9	0	0	0	0	114.3	T513 I517	T513-S515 PolarHBondContact O-N 3.41Å; T513-S515 PolarHBondContact OG1-N 3.44Å; T513-S515 PolarHBondContact OG1-OG 3.33Å; S515-I517 VanDerWaalsContact C-N 3.27Å
516	N	84.8	Confident	77.4	Confident	6 Å²	6	42.9 Å²	42.9	3%	0.032	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-84.4	-1.6	176.5	-61	72.8	0	0	0	112.5	H509 D511 T513 I533 D534	H509-N516 PolarHBondContact CE1-ND2 3.39Å; D511-N516 PolarHBondContact O-ND2 2.96Å; D511-N516 PolarHBondContact O-OD1 2.95Å; T513-N516 WeakPolarHBondContact CB-OD1 3.3Å; T513-N516 PolarHBondContact N-OD1 3.46Å; T513-N516 VanDerWaalsContact N-OD1 3.17Å; T513-N516 WeakPolarHBondContact O-CB 3.23Å; T513-N516 PolarHBondContact O-N 2.63Å; T513-N516 PolarHBondContact O-OD1 3.49Å; T513-N516 PolarHBondContact OG1-OD1 3.03Å; N516-I533 WeakPolarHBondContact CB-O 3.31Å; N516-I533 PolarHBondContact ND2-O 3.48Å; N516-I533 VanDerWaalsContact O-CG1 3.22Å; N516-I533 WeakPolarHBondContact O-CG1 3.44Å; N516-I533 PolarHBondContact O-N 2.9Å; N516-D534 WeakPolarHBondContact ND2-CB 3.25Å
517	I	87.1	Confident	75.7	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.2	-177.2	-55.4	164.3	0	0	0	107.7	P476 L477 L495 S515 I530 L531 L532 L554 F558	P476-I517 CarbonylContact C-O 3.54Å; P476-I517 WeakPolarHBondContact CA-O 3.08Å; L477-I517 HydrophobicContact CB-CB 3.85Å; L477-I517 HydrophobicContact CB-CG2 3.97Å; L477-I517 HydrophobicContact CD2-CB 4.04Å; L477-I517 HydrophobicContact CD2-CD1 3.78Å; L477-I517 HydrophobicContact CD2-CG2 3.9Å; L477-I517 PolarHBondContact N-O 3.46Å; L495-I517 HydrophobicContact CD1-CD1 3.85Å; L495-I517 HydrophobicContact CD2-CD1 4.32Å; S515-I517 VanDerWaalsContact C-N 3.27Å; I517-I530 HydrophobicContact CG2-CB 4.23Å; I517-I530 HydrophobicContact CG2-CG2 4.44Å; I517-L531 WeakPolarHBondContact CA-O 3.3Å; I517-L532 HydrophobicContact CG1-CD2 3.76Å; I517-L554 HydrophobicContact CD1-CD1 4.17Å; I517-F558 HydrophobicContact CD1-CZ 4.47Å
518	L	84.3	Confident	74.4	Confident	10 Å²	10	43.9 Å²	43.9	5%	0.052	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	134.9	172.1	-63.1	177.2	0	0	0	109.6	P476 I530 L531 I533	P476-L518 HydrophobicContact CG-CD2 4.26Å; L518-I530 CarbonylContact O-C 3.47Å; L518-I530 VanDerWaalsContact O-CA 3.3Å; L518-I530 WeakPolarHBondContact O-CA 3.38Å; L518-L531 HydrophobicContact CB-CB 4.29Å; L518-L531 PolarHBondContact N-O 2.89Å; L518-L531 PolarHBondContact O-N 3.35Å; L518-I533 HydrophobicContact CD1-CD1 4.18Å; L518-I533 HydrophobicContact CD1-CG2 3.78Å; L518-I533 HydrophobicContact CD2-CD1 4.1Å; L518-I533 HydrophobicContact CG-CD1 3.96Å; L518-I533 HydrophobicContact CG-CG1 4.33Å; L518-I533 HydrophobicContact CG-CG2 4.2Å
519	V	84.1	Confident	73.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.8	170.7	179.7	0	0	0	0	108.9	S474 V475 L477 L491 A527	S474-V519 CarbonylContact C-O 3.58Å; S474-V519 VanDerWaalsContact CA-O 3.23Å; S474-V519 WeakPolarHBondContact CA-O 3.36Å; V475-V519 PolarHBondContact N-O 2.79Å; V475-V519 PolarHBondContact O-N 3.32Å; L477-V519 HydrophobicContact CB-CG2 4.07Å; L477-V519 HydrophobicContact CD1-CG2 3.48Å; L477-V519 VanDerWaalsContact CD1-CG2 3.48Å; L477-V519 HydrophobicContact CG-CG2 4.37Å; L491-V519 HydrophobicContact CD2-CG1 4.25Å; L491-V519 HydrophobicContact CD2-CG2 4.48Å; V519-A527 HydrophobicContact CG1-CB 3.69Å
520	V	77.6	Confident	73.5	Confident	14 Å²	14	46.1 Å²	46.1	9%	0.085	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.5	-179.1	-172	0	0	0	0	110.5	V471 S528 S529 L531	V471-V520 HydrophobicContact CG1-CB 4.17Å; V471-V520 HydrophobicContact CG1-CG1 3.8Å; V471-V520 HydrophobicContact CG1-CG2 3.36Å; V520-S528 PolarHBondContact O-N 3.13Å; V520-S528 PolarHBondContact O-OG 3.08Å; V520-S529 WeakPolarHBondContact CB-OG 3.4Å; V520-S529 WeakPolarHBondContact CG2-OG 3.47Å; V520-S529 PolarHBondContact N-O 3.25Å; V520-L531 HydrophobicContact CG2-CD1 3.76Å; V520-L531 HydrophobicContact CG2-CG 4.16Å
521	N	70.5	Confident	73.7	Confident	80 Å²	80	46.3 Å²	46.3	43%	0.428	27%	0.267	S	S	.	.			trans	54.7	71.2	-179.4	-62.2	-32.2	0	0	0	113.3	E472 G473 E523	E472-N521 PolarHBondContact O-OD1 2.88Å; G473-N521 PolarHBondContact O-N 3.29Å; N521-E523 PolarHBondContact O-N 2.76Å
522	P	64.2	Low	73.9	Confident	38 Å²	38	43.8 Å²	43.8	25%	0.247	25%	0.254	C	S	.	.			trans	-74.2	-10.7	174.3	30.4	-33.8	0	0	0	113.4	G473 V475 V480	G473-P522 WeakPolarHBondContact O-CD 3.27Å; V475-P522 HydrophobicContact CB-CG 4.41Å; V475-P522 HydrophobicContact CG2-CG 3.85Å; V480-P522 HydrophobicContact CG1-CB 4.28Å; V480-P522 HydrophobicContact CG2-CB 4.41Å
523	E	58.1	Low	73.8	Confident	167 Å²	167	44.1 Å²	44.1	78%	0.78	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	132.1	-176.4	-62.2	-172.3	179	0	0	112.1	N521	N521-E523 PolarHBondContact O-N 2.76Å
524	L	48	Very low	73.7	Confident	172 Å²	172	44.1 Å²	44.1	90%	0.901	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	25.2	-179.4	-63.3	157.1	0	0	0	117.5	Q526	L524-Q526 PolarHBondContact O-N 2.86Å
525	G	50.7	Low	73.9	Confident	62 Å²	62	43.8 Å²	43.8	64%	0.639	25%	0.252	S	S	*	.	S	Bend	trans	66.6	21.8	172	0	0	0	0	0	113.6
526	Q	50.8	Low	73.8	Confident	158 Å²	158	41.7 Å²	41.7	74%	0.738	24%	0.238	S	C	*	.			trans	-129.4	76.6	174.7	-70.8	-170.5	-6.5	0	0	109.5	L524 S528	L524-Q526 PolarHBondContact O-N 2.86Å; Q526-S528 PolarHBondContact O-N 3.15Å
527	A	55.5	Low	73.6	Confident	15 Å²	15	45.3 Å²	45.3	12%	0.124	26%	0.257	C	S	.	.			trans	-59.3	123.7	170	0	0	0	0	0	110.5	L491 V519	L491-A527 HydrophobicContact CD1-CB 3.43Å; L491-A527 VanDerWaalsContact CD1-CB 3.43Å; L491-A527 HydrophobicContact CD2-CB 3.69Å; L491-A527 HydrophobicContact CG-CB 3.57Å; V519-A527 HydrophobicContact CG1-CB 3.69Å
528	S	64.9	Low	73.7	Confident	43 Å²	43	45.9 Å²	45.9	30%	0.301	26%	0.261	S	S	.	.			trans	-89.4	-41.5	-165.7	67.6	0	0	0	0	113.4	Q494 V520 Q526	Q494-S528 PolarHBondContact NE2-O 2.91Å; Q494-S528 VanDerWaalsContact NE2-O 3.1Å; V520-S528 PolarHBondContact O-N 3.13Å; V520-S528 PolarHBondContact O-OG 3.08Å; Q526-S528 PolarHBondContact O-N 3.15Å
529	S	78.3	Confident	73.9	Confident	42 Å²	42	49.5 Å²	49.5	29%	0.294	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	153.1	-176.8	54.2	0	0	0	0	112.5	Q494 V520	Q494-S529 VanDerWaalsContact OE1-CA 3.27Å; V520-S529 WeakPolarHBondContact CB-OG 3.4Å; V520-S529 WeakPolarHBondContact CG2-OG 3.47Å; V520-S529 PolarHBondContact N-O 3.25Å
530	I	86.9	Confident	74.2	Confident	7 Å²	7	53.4 Å²	53.4	4%	0.036	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	149.3	168.2	67.5	166.7	0	0	0	110.8	P452 L491 Q494 L495 A498 I517 L518	P452-I530 VanDerWaalsContact CB-O 3.32Å; P452-I530 WeakPolarHBondContact CB-O 3.15Å; P452-I530 HydrophobicContact CG-CG1 4.29Å; L491-I530 HydrophobicContact CD2-CG2 3.68Å; Q494-I530 HydrophobicContact CB-CD1 4.31Å; Q494-I530 HydrophobicContact CB-CG1 4.14Å; Q494-I530 HydrophobicContact CB-CG2 4.43Å; Q494-I530 WeakPolarHBondContact O-CD1 3.47Å; L495-I530 HydrophobicContact CB-CD1 3.99Å; L495-I530 HydrophobicContact CD1-CD1 3.93Å; A498-I530 HydrophobicContact CB-CD1 3.83Å; I517-I530 HydrophobicContact CG2-CB 4.23Å; I517-I530 HydrophobicContact CG2-CG2 4.44Å; L518-I530 CarbonylContact O-C 3.47Å; L518-I530 VanDerWaalsContact O-CA 3.3Å; L518-I530 WeakPolarHBondContact O-CA 3.38Å
531	L	87.5	Confident	74.9	Confident	25 Å²	25	53.7 Å²	53.7	13%	0.131	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.1	168.2	-65.1	165.8	0	0	0	109.6	P452 V471 I517 L518 V520	P452-L531 HydrophobicContact CB-CD2 3.96Å; P452-L531 WeakPolarHBondContact O-CA 3.3Å; V471-L531 HydrophobicContact CB-CD1 4.1Å; V471-L531 HydrophobicContact CG1-CD1 3.51Å; V471-L531 HydrophobicContact CG2-CD1 3.47Å; V471-L531 VanDerWaalsContact CG2-CD1 3.47Å; I517-L531 WeakPolarHBondContact CA-O 3.3Å; L518-L531 HydrophobicContact CB-CB 4.29Å; L518-L531 PolarHBondContact N-O 2.89Å; L518-L531 PolarHBondContact O-N 3.35Å; V520-L531 HydrophobicContact CG2-CD1 3.76Å; V520-L531 HydrophobicContact CG2-CG 4.16Å
532	L	89.5	Confident	75.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.1	173.8	-65.5	172.2	0	0	0	110.5	I451 P452 V453 M502 L512 I517 F535	I451-L532 HydrophobicContact CG2-CD1 3.87Å; P452-L532 PolarHBondContact O-N 3.18Å; V453-L532 HydrophobicContact CG1-CB 4.38Å; V453-L532 WeakPolarHBondContact CG1-O 3.41Å; M502-L532 HydrophobicContact SD-CD1 4.45Å; L512-L532 HydrophobicContact CD1-CD2 4.02Å; I517-L532 HydrophobicContact CG1-CD2 3.76Å; L532-F535 HydrophobicContact CB-CE2 3.7Å; L532-F535 HydrophobicContact CB-CZ 3.59Å; L532-F535 HydrophobicContact CD1-CZ 4.1Å; L532-F535 HydrophobicContact CG-CZ 4.48Å
533	I	84.7	Confident	77.2	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.036	32%	0.315	C	S	.	.			trans	-133	163.9	178	61.3	164.2	0	0	0	111	L402 P454 H509 N516 L518	L402-I533 HydrophobicContact CD1-CD1 3.65Å; P454-I533 HydrophobicContact CG-CG2 3.9Å; H509-I533 PolarHBondContact NE2-O 2.91Å; N516-I533 WeakPolarHBondContact CB-O 3.31Å; N516-I533 PolarHBondContact ND2-O 3.48Å; N516-I533 VanDerWaalsContact O-CG1 3.22Å; N516-I533 WeakPolarHBondContact O-CG1 3.44Å; N516-I533 PolarHBondContact O-N 2.9Å; L518-I533 HydrophobicContact CD1-CD1 4.18Å; L518-I533 HydrophobicContact CD1-CG2 3.78Å; L518-I533 HydrophobicContact CD2-CD1 4.1Å; L518-I533 HydrophobicContact CG-CD1 3.96Å; L518-I533 HydrophobicContact CG-CG1 4.33Å; L518-I533 HydrophobicContact CG-CG2 4.2Å
534	D	82	Confident	78.9	Confident	26 Å²	26	47.2 Å²	47.2	14%	0.139	28%	0.284	C	S	.	.			trans	62	61.7	177.3	-164.3	1.2	0	0	0	116	K415 R417 H509 N516 G536	K415-D534 WeakPolarHBondContact CE-OD2 3.16Å; K415-D534 IonicContact NZ-OD1 2.98Å; K415-D534 PolarHBondContact NZ-OD1 2.74Å; K415-D534 IonicContact NZ-OD2 3.96Å; K415-D534 PolarHBondContact NZ-OD2 3.15Å; R417-D534 IonicContact CZ-OD1 3.91Å; R417-D534 IonicContact NH1-OD1 3.23Å; R417-D534 IonicContact NH2-OD1 2.78Å; R417-D534 PolarHBondContact NH2-OD1 3.4Å; H509-D534 PolarHBondContact CE1-O 3.33Å; H509-D534 PolarHBondContact NE2-O 3.11Å; N516-D534 WeakPolarHBondContact ND2-CB 3.25Å; D534-G536 PolarHBondContact O-N 2.87Å; D534-G536 PolarHBondContact OD1-N 2.86Å
535	F	84	Confident	81	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.251	C	S	.	.			trans	-77.3	28.1	171.5	-72.6	-92.2	0	0	0	113.4	E439 L443 C446 V453 M502 H509 L532 L537 S538	E439-F535 HydrophobicContact CG-CB 4.41Å; L443-F535 HydrophobicContact CD2-CD2 3.55Å; L443-F535 HydrophobicContact CD2-CE2 3.96Å; L443-F535 HydrophobicContact CG-CD2 4.05Å; C446-F535 HydrophobicContact CB-CZ 4.49Å; C446-F535 WeakPolarHBondContact SG-CE1 3.49Å; C446-F535 VanDerWaalsContact SG-CZ 3.59Å; V453-F535 HydrophobicContact CG1-CE2 3.68Å; V453-F535 HydrophobicContact CG1-CZ 4.11Å; M502-F535 HydrophobicContact SD-CE1 4.18Å; H509-F535 AromaticContact CD2-CD1 3.95Å; H509-F535 AromaticContact CD2-CE1 3.71Å; L532-F535 HydrophobicContact CB-CE2 3.7Å; L532-F535 HydrophobicContact CB-CZ 3.59Å; L532-F535 HydrophobicContact CD1-CZ 4.1Å; L532-F535 HydrophobicContact CG-CZ 4.48Å; F535-L537 VanDerWaalsContact C-N 3.25Å; F535-L537 PolarHBondContact O-N 2.87Å; F535-S538 WeakPolarHBondContact CB-OG 3.32Å; F535-S538 WeakPolarHBondContact O-CB 3.23Å; F535-S538 PolarHBondContact O-N 2.86Å; F535-S538 VanDerWaalsContact O-N 3.16Å; F535-S538 PolarHBondContact O-OG 3.32Å
536	G	76.5	Confident	83	Confident	4 Å²	4	40.6 Å²	40.6	4%	0.041	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.4	-173.4	0	0	0	0	0	115.6	R435 D534	R435-G536 VanDerWaalsContact CG-O 3.25Å; R435-G536 WeakPolarHBondContact CG-O 3.34Å; R435-G536 PolarHBondContact NE-O 2.82Å; D534-G536 PolarHBondContact O-N 2.87Å; D534-G536 PolarHBondContact OD1-N 2.86Å
537	L	81.2	Confident	85.1	Confident	81 Å²	81	33.5 Å²	33.5	42%	0.424	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	11.4	176.3	-67.1	171.7	0	0	0	112.5	H509 D511 F535 F539	H509-L537 CarbonylContact O-C 3.51Å; H509-L537 VanDerWaalsContact O-C 3.3Å; D511-L537 HydrophobicContact CB-CB 4.28Å; D511-L537 HydrophobicContact CB-CD1 3.79Å; F535-L537 VanDerWaalsContact C-N 3.25Å; F535-L537 PolarHBondContact O-N 2.87Å; L537-F539 WeakPolarHBondContact O-CD1 3.41Å
538	S	87.7	Confident	87	Confident	12 Å²	12	32.8 Å²	32.8	8%	0.084	19%	0.194	C	C	.	.			trans	-69.6	145.8	-178.1	62.9	0	0	0	0	111.6	S442 I508 H509 F535	S442-S538 WeakPolarHBondContact CB-OG 3.18Å; S442-S538 PolarHBondContact OG-OG 2.78Å; I508-S538 CarbonylContact O-C 3.56Å; I508-S538 WeakPolarHBondContact O-CA 3.47Å; I508-S538 WeakPolarHBondContact O-CB 3.31Å; H509-S538 WeakPolarHBondContact O-CA 3.35Å; H509-S538 PolarHBondContact O-N 2.76Å; H509-S538 VanDerWaalsContact O-N 3.09Å; F535-S538 WeakPolarHBondContact CB-OG 3.32Å; F535-S538 WeakPolarHBondContact O-CB 3.23Å; F535-S538 PolarHBondContact O-N 2.86Å; F535-S538 VanDerWaalsContact O-N 3.16Å; F535-S538 PolarHBondContact O-OG 3.32Å
539	F	89.5	Confident	88.3	Confident	87 Å²	87	33.4 Å²	33.4	38%	0.382	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	173.8	178.3	60.1	-85.9	0	0	0	109.8	I508 L537 D546	I508-F539 HydrophobicContact CB-CD1 4.3Å; I508-F539 HydrophobicContact CB-CD2 4.17Å; I508-F539 HydrophobicContact CB-CE1 4.04Å; I508-F539 HydrophobicContact CB-CE2 3.91Å; I508-F539 HydrophobicContact CB-CG 4.37Å; I508-F539 HydrophobicContact CB-CZ 3.84Å; I508-F539 HydrophobicContact CG1-CD2 4.27Å; I508-F539 HydrophobicContact CG1-CE2 3.89Å; I508-F539 HydrophobicContact CG1-CZ 4.21Å; I508-F539 HydrophobicContact CG2-CD1 4.37Å; I508-F539 HydrophobicContact CG2-CE1 3.67Å; I508-F539 HydrophobicContact CG2-CE2 4.06Å; I508-F539 HydrophobicContact CG2-CZ 3.49Å; I508-F539 VanDerWaalsContact CG2-CZ 3.49Å; I508-F539 PolarHBondContact N-O 2.9Å; I508-F539 PolarHBondContact O-N 3.21Å; L537-F539 WeakPolarHBondContact O-CD1 3.41Å; F539-D546 HydrophobicContact CE2-CB 3.99Å; F539-D546 HydrophobicContact CZ-CB 4.12Å
540	V	90.2	Very high	89	Confident	81 Å²	81	31.4 Å²	31.4	49%	0.491	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.8	-178.2	-178.4	0	0	0	0	108.2	S506	S506-V540 CarbonylContact O-C 3.46Å; S506-V540 WeakPolarHBondContact O-CA 3.48Å; S506-V540 WeakPolarHBondContact O-CG1 3.42Å
541	S	91.3	Very high	89.3	Confident	20 Å²	20	31.1 Å²	31.1	14%	0.14	18%	0.181	C	C	.	.			trans	-149.5	138.8	176.7	-174.6	0	0	0	0	111.1	S506 S543 D546	S506-S541 WeakPolarHBondContact CA-O 3.49Å; S506-S541 WeakPolarHBondContact CB-O 3.49Å; S506-S541 PolarHBondContact O-N 3.29Å; S541-S543 VanDerWaalsContact C-N 3.35Å; S541-S543 VanDerWaalsContact OG-CB 3.24Å; S541-S543 WeakPolarHBondContact OG-CB 3.36Å; S541-S543 PolarHBondContact OG-N 3.35Å; S541-S543 VanDerWaalsContact OG-N 3.09Å; S541-D546 WeakPolarHBondContact CB-OD2 3.39Å; S541-D546 PolarHBondContact OG-OD2 2.75Å
542	S	90.8	Very high	89.5	Confident	89 Å²	89	31.8 Å²	31.8	62%	0.622	18%	0.183	S	C	*	.			trans	-87.5	-9	169.7	53.5	0	0	0	0	112.4	A544 K547	S542-A544 PolarHBondContact O-N 3.45Å; S542-K547 PolarHBondContact O-NZ 3.06Å; S542-K547 VanDerWaalsContact O-NZ 3.13Å
543	S	93.2	Very high	89.5	Confident	45 Å²	45	34 Å²	34	32%	0.315	19%	0.194	S	C	.	.			trans	-60.2	128	-175.9	-179.2	0	0	0	0	111.8	S541 E545 D546 K547	S541-S543 VanDerWaalsContact C-N 3.35Å; S541-S543 VanDerWaalsContact OG-CB 3.24Å; S541-S543 WeakPolarHBondContact OG-CB 3.36Å; S541-S543 PolarHBondContact OG-N 3.35Å; S541-S543 VanDerWaalsContact OG-N 3.09Å; S543-E545 PolarHBondContact O-N 2.78Å; S543-E545 PolarHBondContact OG-N 2.76Å; S543-D546 VanDerWaalsContact CB-OD2 3.31Å; S543-D546 WeakPolarHBondContact CB-OD2 3.34Å; S543-D546 PolarHBondContact O-N 2.93Å; S543-K547 WeakPolarHBondContact O-CG 3.26Å; S543-K547 PolarHBondContact O-N 2.85Å
544	A	93	Very high	89.7	Confident	15 Å²	15	33.7 Å²	33.7	12%	0.124	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-28.7	171.6	0	0	0	0	0	112.4	S542 A548 M585 V586	S542-A544 PolarHBondContact O-N 3.45Å; A544-A548 VanDerWaalsContact O-CB 3.3Å; A544-A548 WeakPolarHBondContact O-CB 3.23Å; A544-A548 PolarHBondContact O-N 2.97Å; A544-M585 HydrophobicContact CB-CE 3.94Å; A544-M585 HydrophobicContact CB-CG 4.16Å; A544-M585 HydrophobicContact CB-SD 4.33Å; A544-V586 HydrophobicContact CB-CG2 4.41Å
545	E	93.1	Very high	90.1	Very high	46 Å²	46	34.6 Å²	34.6	22%	0.215	20%	0.196	C	C	.	.	H	α-helix	trans	-67.8	-45.3	176.2	-178.1	87.5	-154.6	0	0	110.7	S543 K547 A548 V549 K589 V593 R596	S543-E545 PolarHBondContact O-N 2.78Å; S543-E545 PolarHBondContact OG-N 2.76Å; E545-K547 VanDerWaalsContact C-N 3.34Å; E545-K547 PolarHBondContact O-N 3Å; E545-A548 CarbonylContact O-C 3.57Å; E545-A548 WeakPolarHBondContact O-CB 3.28Å; E545-A548 PolarHBondContact O-N 3.25Å; E545-A548 VanDerWaalsContact O-N 3.1Å; E545-V549 WeakPolarHBondContact O-CG2 3.46Å; E545-V549 PolarHBondContact O-N 3.15Å; E545-K589 HydrophobicContact CB-CG 4.23Å; E545-K589 WeakPolarHBondContact OE2-CE 3.44Å; E545-K589 IonicContact OE2-NZ 3.73Å; E545-V593 WeakPolarHBondContact OE1-CG2 3.45Å; E545-R596 VanDerWaalsContact CD-NH1 3.26Å; E545-R596 IonicContact OE1-CZ 2.67Å; E545-R596 IonicContact OE1-NH1 3.51Å; E545-R596 PolarHBondContact OE1-NH1 2.96Å; E545-R596 IonicContact OE2-CZ 3Å; E545-R596 IonicContact OE2-NH1 2.84Å; E545-R596 PolarHBondContact OE2-NH1 2.77Å; E545-R596 IonicContact OE2-NH2 2.73Å
546	D	92.7	Very high	90.2	Very high	49 Å²	49	38.8 Å²	38.8	26%	0.262	21%	0.214	S	C	.	.	H	α-helix	trans	-65.2	-40.6	-178.8	-62.5	-22.9	0	0	0	111.3	I508 F539 S541 S543 A548 V549 D550	I508-D546 HydrophobicContact CD1-CB 4.26Å; I508-D546 HydrophobicContact CG1-CB 4.16Å; F539-D546 HydrophobicContact CE2-CB 3.99Å; F539-D546 HydrophobicContact CZ-CB 4.12Å; S541-D546 WeakPolarHBondContact CB-OD2 3.39Å; S541-D546 PolarHBondContact OG-OD2 2.75Å; S543-D546 VanDerWaalsContact CB-OD2 3.31Å; S543-D546 WeakPolarHBondContact CB-OD2 3.34Å; S543-D546 PolarHBondContact O-N 2.93Å; D546-A548 VanDerWaalsContact C-N 3.31Å; D546-A548 PolarHBondContact O-N 3.26Å; D546-V549 PolarHBondContact O-N 3.01Å; D546-D550 PolarHBondContact O-N 2.83Å
547	K	94.7	Very high	90.5	Very high	9 Å²	9	39.7 Å²	39.7	4%	0.039	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-41.4	172.4	-64.4	167.5	-174.8	166.4	0	111.5	H503 I508 S542 S543 E545 D550 L551 E582 V586	H503-K547 HydrophobicContact CB-CD 4Å; H503-K547 HydrophobicContact CB-CG 3.97Å; H503-K547 PolarHBondContact CE1-O 3.14Å; H503-K547 VanDerWaalsContact CE1-O 3.31Å; H503-K547 VanDerWaalsContact O-CE 3.32Å; H503-K547 WeakPolarHBondContact O-CE 3.49Å; I508-K547 HydrophobicContact CD1-CB 4.3Å; I508-K547 HydrophobicContact CD1-CG 3.56Å; S542-K547 PolarHBondContact O-NZ 3.06Å; S542-K547 VanDerWaalsContact O-NZ 3.13Å; S543-K547 WeakPolarHBondContact O-CG 3.26Å; S543-K547 PolarHBondContact O-N 2.85Å; E545-K547 VanDerWaalsContact C-N 3.34Å; E545-K547 PolarHBondContact O-N 3Å; K547-D550 PolarHBondContact O-N 3.14Å; K547-L551 WeakPolarHBondContact O-CG 3.14Å; K547-L551 PolarHBondContact O-N 3.13Å; K547-E582 IonicContact NZ-OE2 3.76Å; K547-E582 PolarHBondContact NZ-OE2 2.77Å; K547-V586 HydrophobicContact CB-CG1 3.83Å; K547-V586 HydrophobicContact CB-CG2 4Å; K547-V586 HydrophobicContact CD-CG2 3.75Å
548	A	94.5	Very high	90.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-70.3	-36.7	178.3	0	0	0	0	0	112.7	A544 E545 D546 L551 F552 V586 K589 L590 V593	A544-A548 VanDerWaalsContact O-CB 3.3Å; A544-A548 WeakPolarHBondContact O-CB 3.23Å; A544-A548 PolarHBondContact O-N 2.97Å; E545-A548 CarbonylContact O-C 3.57Å; E545-A548 WeakPolarHBondContact O-CB 3.28Å; E545-A548 PolarHBondContact O-N 3.25Å; E545-A548 VanDerWaalsContact O-N 3.1Å; D546-A548 VanDerWaalsContact C-N 3.31Å; D546-A548 PolarHBondContact O-N 3.26Å; A548-L551 PolarHBondContact O-N 2.84Å; A548-F552 VanDerWaalsContact O-CB 3.31Å; A548-F552 WeakPolarHBondContact O-CB 3.36Å; A548-F552 PolarHBondContact O-N 3.49Å; A548-V586 HydrophobicContact CB-CG1 4.31Å; A548-K589 HydrophobicContact CB-CB 3.87Å; A548-K589 HydrophobicContact CB-CG 4.21Å; A548-L590 HydrophobicContact CB-CB 4.15Å; A548-L590 WeakPolarHBondContact O-CD1 3.43Å; A548-V593 HydrophobicContact CB-CG2 4.12Å
549	V	92.9	Very high	90.3	Very high	56 Å²	56	39 Å²	39	34%	0.339	23%	0.225	S	C	.	.	H	α-helix	trans	-64.2	-41.6	174.1	171.7	0	0	0	0	110.7	E545 D546 L551 F552 I553 V593	E545-V549 WeakPolarHBondContact O-CG2 3.46Å; E545-V549 PolarHBondContact O-N 3.15Å; D546-V549 PolarHBondContact O-N 3.01Å; V549-L551 PolarHBondContact O-N 3.24Å; V549-F552 PolarHBondContact O-N 3.38Å; V549-I553 HydrophobicContact CG1-CD1 4.04Å; V549-I553 HydrophobicContact CG1-CG1 4.48Å; V549-I553 VanDerWaalsContact O-CG1 3.32Å; V549-I553 WeakPolarHBondContact O-CG1 3.24Å; V549-I553 PolarHBondContact O-N 3.27Å; V549-V593 HydrophobicContact CG2-CG1 4.49Å; V549-V593 HydrophobicContact CG2-CG2 4.27Å
550	D	92.4	Very high	89.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-44.8	176.6	-145.9	26.6	0	0	0	111.5	M502 H503 I508 H509 G510 D546 K547 I553 L554	M502-D550 WeakPolarHBondContact CE-OD2 3.37Å; H503-D550 IonicContact NE2-OD2 3.42Å; H503-D550 PolarHBondContact NE2-OD2 2.99Å; I508-D550 HydrophobicContact CG2-CB 3.99Å; H509-D550 WeakPolarHBondContact CB-OD2 3.25Å; H509-D550 PolarHBondContact N-OD2 3.46Å; G510-D550 PolarHBondContact N-OD1 3.46Å; D546-D550 PolarHBondContact O-N 2.83Å; K547-D550 PolarHBondContact O-N 3.14Å; D550-I553 PolarHBondContact O-N 3.03Å; D550-L554 PolarHBondContact O-N 3.36Å
551	L	94.2	Very high	88.6	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-35.8	174.3	-66.2	177.2	0	0	0	112.9	L499 K547 A548 V549 L554 E555 L573 Y576 V586 L590	L499-L551 HydrophobicContact CD1-CD2 4.02Å; K547-L551 WeakPolarHBondContact O-CG 3.14Å; K547-L551 PolarHBondContact O-N 3.13Å; A548-L551 PolarHBondContact O-N 2.84Å; V549-L551 PolarHBondContact O-N 3.24Å; L551-L554 PolarHBondContact O-N 2.9Å; L551-E555 WeakPolarHBondContact O-CB 3.19Å; L551-E555 PolarHBondContact O-N 3.49Å; L551-L573 HydrophobicContact CD1-CD1 3.99Å; L551-Y576 HydrophobicContact CD1-CD1 4.19Å; L551-Y576 HydrophobicContact CD1-CE1 3.83Å; L551-V586 HydrophobicContact CD1-CG1 3.85Å; L551-L590 HydrophobicContact CB-CD1 4.19Å; L551-L590 HydrophobicContact CB-CD2 4.26Å; L551-L590 HydrophobicContact CD1-CD2 4.44Å
552	F	92.1	Very high	87.4	Confident	39 Å²	39	41.7 Å²	41.7	17%	0.171	24%	0.238	C	C	.	.	H	α-helix	trans	-68.5	-37.9	178.2	179.7	-105.5	0	0	0	112.1	A548 V549 L554 E555 K556 L590 V593 R594	A548-F552 VanDerWaalsContact O-CB 3.31Å; A548-F552 WeakPolarHBondContact O-CB 3.36Å; A548-F552 PolarHBondContact O-N 3.49Å; V549-F552 PolarHBondContact O-N 3.38Å; F552-L554 VanDerWaalsContact C-N 3.33Å; F552-E555 PolarHBondContact O-N 2.83Å; F552-K556 HydrophobicContact CD1-CG 4.47Å; F552-K556 HydrophobicContact CE1-CG 4.09Å; F552-K556 HydrophobicContact CE2-CD 4.47Å; F552-K556 HydrophobicContact CE2-CG 4.21Å; F552-K556 HydrophobicContact CZ-CD 4.28Å; F552-K556 HydrophobicContact CZ-CG 3.97Å; F552-K556 WeakPolarHBondContact O-CG 3.3Å; F552-K556 PolarHBondContact O-N 3.25Å; F552-L590 HydrophobicContact CB-CD1 3.78Å; F552-L590 HydrophobicContact CD2-CD1 4.44Å; F552-V593 HydrophobicContact CB-CG1 3.79Å; F552-V593 HydrophobicContact CD1-CG1 3.86Å; F552-V593 HydrophobicContact CD2-CG1 4.05Å; F552-V593 HydrophobicContact CE1-CG1 4.44Å; F552-V593 HydrophobicContact CG-CG1 3.62Å; F552-R594 HydrophobicContact CD2-CG 3.92Å; F552-R594 HydrophobicContact CE2-CG 4.02Å
553	I	88.9	Confident	86	Confident	46 Å²	46	42.8 Å²	42.8	24%	0.236	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-47.2	173	-66.5	164.9	0	0	0	109.3	V549 D550 E555 K556 T557	V549-I553 HydrophobicContact CG1-CD1 4.04Å; V549-I553 HydrophobicContact CG1-CG1 4.48Å; V549-I553 VanDerWaalsContact O-CG1 3.32Å; V549-I553 WeakPolarHBondContact O-CG1 3.24Å; V549-I553 PolarHBondContact O-N 3.27Å; D550-I553 PolarHBondContact O-N 3.03Å; I553-E555 PolarHBondContact O-N 2.93Å; I553-K556 PolarHBondContact O-N 3.37Å; I553-T557 HydrophobicContact CG2-CG2 4.36Å; I553-T557 WeakPolarHBondContact O-CG2 3.25Å; I553-T557 PolarHBondContact O-N 2.68Å; I553-T557 PolarHBondContact O-OG1 2.67Å
554	L	90.1	Very high	84.8	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-48.3	177.3	-178	61.5	0	0	0	111.8	L495 L499 L512 I517 D550 L551 F552 K556 T557 F558 F569	L495-L554 HydrophobicContact CD2-CD2 4.46Å; L499-L554 HydrophobicContact CD1-CD2 3.77Å; L512-L554 HydrophobicContact CD2-CB 4.18Å; L512-L554 HydrophobicContact CD2-CD2 3.96Å; L512-L554 HydrophobicContact CD2-CG 4.47Å; L512-L554 HydrophobicContact CG-CB 4.28Å; L512-L554 HydrophobicContact CG-CD1 4.23Å; L512-L554 HydrophobicContact CG-CD2 4.46Å; L512-L554 WeakPolarHBondContact O-CA 3.41Å; L512-L554 PolarHBondContact O-N 2.92Å; I517-L554 HydrophobicContact CD1-CD1 4.17Å; D550-L554 PolarHBondContact O-N 3.36Å; L551-L554 PolarHBondContact O-N 2.9Å; F552-L554 VanDerWaalsContact C-N 3.33Å; L554-K556 VanDerWaalsContact C-N 3.32Å; L554-K556 PolarHBondContact O-N 3.43Å; L554-T557 WeakPolarHBondContact CA-OG1 3.05Å; L554-T557 PolarHBondContact O-N 2.75Å; L554-T557 VanDerWaalsContact O-N 3.1Å; L554-T557 PolarHBondContact O-OG1 2.69Å; L554-F558 HydrophobicContact CD1-CD1 4.46Å; L554-F558 HydrophobicContact CD1-CD2 4.14Å; L554-F558 HydrophobicContact CD1-CE1 4.02Å; L554-F558 HydrophobicContact CD1-CE2 3.7Å; L554-F558 HydrophobicContact CD1-CZ 3.63Å; L554-F558 HydrophobicContact CD2-CE2 4.06Å; L554-F558 HydrophobicContact CG-CD2 4.04Å; L554-F558 HydrophobicContact CG-CE2 3.74Å; L554-F558 HydrophobicContact CG-CZ 4.19Å; L554-F558 PolarHBondContact O-N 2.79Å; L554-F569 HydrophobicContact CB-CE2 4.36Å; L554-F569 HydrophobicContact CD2-CD2 4.43Å; L554-F569 HydrophobicContact CD2-CE2 4.21Å; L554-F569 HydrophobicContact CG-CD2 4.34Å; L554-F569 HydrophobicContact CG-CE2 4.19Å
555	E	90.4	Very high	83.9	Confident	44 Å²	44	46 Å²	46	21%	0.206	26%	0.255	C	S	.	.	H	α-helix	trans	-52.6	-48.6	175.9	-177.5	177.5	-154.4	0	0	111.9	L551 F552 I553 T557 F558 A559 F569 R594	L551-E555 WeakPolarHBondContact O-CB 3.19Å; L551-E555 PolarHBondContact O-N 3.49Å; F552-E555 PolarHBondContact O-N 2.83Å; I553-E555 PolarHBondContact O-N 2.93Å; E555-T557 VanDerWaalsContact C-N 3.33Å; E555-T557 PolarHBondContact O-N 2.95Å; E555-F558 PolarHBondContact O-N 2.94Å; E555-A559 PolarHBondContact O-N 3.16Å; E555-F569 HydrophobicContact CB-CD1 4.15Å; E555-F569 HydrophobicContact CB-CD2 4.4Å; E555-F569 HydrophobicContact CB-CE1 3.65Å; E555-F569 HydrophobicContact CB-CE2 3.92Å; E555-F569 HydrophobicContact CB-CZ 3.54Å; E555-F569 HydrophobicContact CG-CD1 3.94Å; E555-F569 HydrophobicContact CG-CE1 3.69Å; E555-F569 HydrophobicContact CG-CZ 4.13Å; E555-R594 VanDerWaalsContact CD-NE 3.32Å; E555-R594 VanDerWaalsContact CD-NH2 3.3Å; E555-R594 IonicContact OE1-CZ 3.47Å; E555-R594 IonicContact OE1-NE 3.51Å; E555-R594 PolarHBondContact OE1-NE 3.36Å; E555-R594 IonicContact OE1-NH2 2.74Å; E555-R594 PolarHBondContact OE1-NH2 2.85Å; E555-R594 IonicContact OE2-CZ 3.4Å; E555-R594 IonicContact OE2-NE 4Å; E555-R594 PolarHBondContact OE2-NE 2.81Å; E555-R594 IonicContact OE2-NH2 3.98Å
556	K	85.9	Confident	83.4	Confident	88 Å²	88	50 Å²	50	38%	0.383	27%	0.274	S	S	.	.	H	α-helix	trans	-66.5	-35.2	179.9	-70.8	-64.2	-175.1	175.6	0	112.3	F552 I553 L554 I560	F552-K556 HydrophobicContact CD1-CG 4.47Å; F552-K556 HydrophobicContact CE1-CG 4.09Å; F552-K556 HydrophobicContact CE2-CD 4.47Å; F552-K556 HydrophobicContact CE2-CG 4.21Å; F552-K556 HydrophobicContact CZ-CD 4.28Å; F552-K556 HydrophobicContact CZ-CG 3.97Å; F552-K556 WeakPolarHBondContact O-CG 3.3Å; F552-K556 PolarHBondContact O-N 3.25Å; I553-K556 PolarHBondContact O-N 3.37Å; L554-K556 VanDerWaalsContact C-N 3.32Å; L554-K556 PolarHBondContact O-N 3.43Å; K556-I560 WeakPolarHBondContact O-CD1 3.39Å; K556-I560 VanDerWaalsContact O-CG1 3.32Å; K556-I560 WeakPolarHBondContact O-CG1 3.41Å; K556-I560 PolarHBondContact O-N 2.94Å
557	T	82.5	Confident	83.1	Confident	24 Å²	24	52.2 Å²	52.2	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-70.8	-34.7	177.3	64.4	0	0	0	0	112.3	T513 I553 L554 E555 I560 S561	T513-T557 HydrophobicContact CG2-CG2 3.69Å; I553-T557 HydrophobicContact CG2-CG2 4.36Å; I553-T557 WeakPolarHBondContact O-CG2 3.25Å; I553-T557 PolarHBondContact O-N 2.68Å; I553-T557 PolarHBondContact O-OG1 2.67Å; L554-T557 WeakPolarHBondContact CA-OG1 3.05Å; L554-T557 PolarHBondContact O-N 2.75Å; L554-T557 VanDerWaalsContact O-N 3.1Å; L554-T557 PolarHBondContact O-OG1 2.69Å; E555-T557 VanDerWaalsContact C-N 3.33Å; E555-T557 PolarHBondContact O-N 2.95Å; T557-I560 PolarHBondContact O-N 3.46Å; T557-S561 PolarHBondContact O-N 2.94Å; T557-S561 PolarHBondContact O-OG 2.89Å
558	F	84.6	Confident	82.8	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.009	28%	0.278	C	S	.	.	H	α-helix	trans	-70.1	-41.2	174.1	-75.2	-26.7	0	0	0	112.3	L477 M481 L495 I517 L554 E555 I560 S561 H562 E565 F568 F569	L477-F558 HydrophobicContact CD2-CE1 3.8Å; L477-F558 HydrophobicContact CD2-CZ 3.85Å; M481-F558 HydrophobicContact CE-CD1 4.19Å; M481-F558 HydrophobicContact CE-CE1 4.22Å; M481-F558 HydrophobicContact SD-CE1 4.21Å; L495-F558 HydrophobicContact CD2-CE2 4.09Å; L495-F558 HydrophobicContact CD2-CZ 3.88Å; I517-F558 HydrophobicContact CD1-CZ 4.47Å; L554-F558 HydrophobicContact CD1-CD1 4.46Å; L554-F558 HydrophobicContact CD1-CD2 4.14Å; L554-F558 HydrophobicContact CD1-CE1 4.02Å; L554-F558 HydrophobicContact CD1-CE2 3.7Å; L554-F558 HydrophobicContact CD1-CZ 3.63Å; L554-F558 HydrophobicContact CD2-CE2 4.06Å; L554-F558 HydrophobicContact CG-CD2 4.04Å; L554-F558 HydrophobicContact CG-CE2 3.74Å; L554-F558 HydrophobicContact CG-CZ 4.19Å; L554-F558 PolarHBondContact O-N 2.79Å; E555-F558 PolarHBondContact O-N 2.94Å; F558-I560 PolarHBondContact O-N 3.29Å; F558-S561 PolarHBondContact O-N 2.91Å; F558-H562 PolarHBondContact O-N 2.82Å; F558-E565 VanDerWaalsContact C-OE2 3.27Å; F558-E565 WeakPolarHBondContact CA-OE2 3.08Å; F558-E565 HydrophobicContact CB-CB 4.02Å; F558-E565 VanDerWaalsContact CB-OE2 3.28Å; F558-E565 WeakPolarHBondContact CB-OE2 3.21Å; F558-E565 VanDerWaalsContact CD1-OE2 3.29Å; F558-E565 WeakPolarHBondContact CD1-OE2 2.98Å; F558-E565 VanDerWaalsContact O-CD 3.3Å; F558-F568 AromaticContact CE2-CD1 3.95Å; F558-F568 HydrophobicContact CE2-CD1 3.95Å; F558-F568 HydrophobicContact CE2-CE1 4.21Å; F558-F568 AromaticContact CZ-CD1 3.98Å; F558-F568 HydrophobicContact CZ-CD1 3.98Å; F558-F568 AromaticContact CZ-CE1 3.9Å; F558-F568 HydrophobicContact CZ-CE1 3.9Å; F558-F569 HydrophobicContact CD2-CB 3.83Å; F558-F569 AromaticContact CD2-CD2 3.72Å; F558-F569 HydrophobicContact CD2-CD2 3.72Å; F558-F569 HydrophobicContact CD2-CG 4.17Å; F558-F569 HydrophobicContact CE2-CB 4.46Å; F558-F569 HydrophobicContact CE2-CD2 4.06Å
559	A	80.3	Confident	82.6	Confident	75 Å²	75	52.6 Å²	52.6	62%	0.62	28%	0.28	S	S	*	.	H	α-helix	trans	-58.2	-22.2	174.7	0	0	0	0	0	114	E555	E555-A559 PolarHBondContact O-N 3.16Å
560	I	74.6	Confident	82.5	Confident	144 Å²	144	53.9 Å²	53.9	74%	0.738	28%	0.282	S	S	*	.	H	α-helix	trans	-90.5	-24.4	177.3	-62.6	164.1	0	0	0	111.9	K556 T557 F558	K556-I560 WeakPolarHBondContact O-CD1 3.39Å; K556-I560 VanDerWaalsContact O-CG1 3.32Å; K556-I560 WeakPolarHBondContact O-CG1 3.41Å; K556-I560 PolarHBondContact O-N 2.94Å; T557-I560 PolarHBondContact O-N 3.46Å; F558-I560 PolarHBondContact O-N 3.29Å
561	S	68.9	Low	82.4	Confident	40 Å²	40	54.2 Å²	54.2	28%	0.28	29%	0.285	S	S	.	.	H	α-helix	trans	-83	-38.1	-170.9	-57.7	0	0	0	0	112.2	S514 T557 F558 E565	S514-S561 PolarHBondContact OG-OG 2.91Å; T557-S561 PolarHBondContact O-N 2.94Å; T557-S561 PolarHBondContact O-OG 2.89Å; F558-S561 PolarHBondContact O-N 2.91Å; S561-E565 WeakPolarHBondContact CA-OE1 3.45Å; S561-E565 VanDerWaalsContact CB-CD 3.48Å; S561-E565 WeakPolarHBondContact CB-OE1 3.11Å; S561-E565 WeakPolarHBondContact CB-OE2 3.19Å
562	H	65.2	Low	82.3	Confident	62 Å²	62	54.3 Å²	54.3	29%	0.287	29%	0.286	S	S	.	.			trans	-165.4	151.1	174.1	-175.7	-90.5	0	0	0	112	F558 D564 E565	F558-H562 PolarHBondContact O-N 2.82Å; H562-D564 IonicContact CE1-OD2 3.46Å; H562-D564 PolarHBondContact CE1-OD2 2.71Å; H562-D564 PolarHBondContact ND1-N 2.9Å; H562-D564 PolarHBondContact O-N 2.78Å; H562-E565 HydrophobicContact CB-CG 3.58Å; H562-E565 WeakPolarHBondContact CB-OE1 3.09Å; H562-E565 PolarHBondContact N-OE1 2.81Å; H562-E565 WeakPolarHBondContact O-CB 3.44Å; H562-E565 VanDerWaalsContact O-CG 3.25Å; H562-E565 WeakPolarHBondContact O-CG 3.49Å; H562-E565 PolarHBondContact O-N 2.88Å
563	P	62.9	Low	82.4	Confident	112 Å²	112	53.3 Å²	53.3	73%	0.727	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-34.9	-177.4	-24.1	34.7	0	0	0	115.2	E565	P563-E565 VanDerWaalsContact C-N 3.26Å; P563-E565 PolarHBondContact O-N 2.75Å
564	D	66.7	Low	82.6	Confident	124 Å²	124	57.5 Å²	57.5	66%	0.663	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-0.6	-179.2	-66.2	-35.5	0	0	0	113.8	H562 Q566 W567	H562-D564 IonicContact CE1-OD2 3.46Å; H562-D564 PolarHBondContact CE1-OD2 2.71Å; H562-D564 PolarHBondContact ND1-N 2.9Å; H562-D564 PolarHBondContact O-N 2.78Å; D564-Q566 PolarHBondContact O-N 3.01Å; D564-W567 PolarHBondContact O-N 2.7Å
565	E	75.1	Confident	82.8	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.019	31%	0.311	C	S	.	.	H	α-helix	trans	-71.4	-11.8	-177.4	-56.5	-169.5	-173.8	0	0	113.7	M481 F558 S561 H562 P563 W567 F568 F569	M481-E565 WeakPolarHBondContact CB-OE1 3.45Å; M481-E565 HydrophobicContact CE-CB 3.82Å; M481-E565 HydrophobicContact CE-CG 3.39Å; M481-E565 WeakPolarHBondContact CE-OE2 3.43Å; M481-E565 WeakPolarHBondContact CG-OE1 3.44Å; F558-E565 VanDerWaalsContact C-OE2 3.27Å; F558-E565 WeakPolarHBondContact CA-OE2 3.08Å; F558-E565 HydrophobicContact CB-CB 4.02Å; F558-E565 VanDerWaalsContact CB-OE2 3.28Å; F558-E565 WeakPolarHBondContact CB-OE2 3.21Å; F558-E565 VanDerWaalsContact CD1-OE2 3.29Å; F558-E565 WeakPolarHBondContact CD1-OE2 2.98Å; F558-E565 VanDerWaalsContact O-CD 3.3Å; S561-E565 WeakPolarHBondContact CA-OE1 3.45Å; S561-E565 VanDerWaalsContact CB-CD 3.48Å; S561-E565 WeakPolarHBondContact CB-OE1 3.11Å; S561-E565 WeakPolarHBondContact CB-OE2 3.19Å; H562-E565 HydrophobicContact CB-CG 3.58Å; H562-E565 WeakPolarHBondContact CB-OE1 3.09Å; H562-E565 PolarHBondContact N-OE1 2.81Å; H562-E565 WeakPolarHBondContact O-CB 3.44Å; H562-E565 VanDerWaalsContact O-CG 3.25Å; H562-E565 WeakPolarHBondContact O-CG 3.49Å; H562-E565 PolarHBondContact O-N 2.88Å; P563-E565 VanDerWaalsContact C-N 3.26Å; P563-E565 PolarHBondContact O-N 2.75Å; E565-W567 VanDerWaalsContact C-N 3.26Å; E565-W567 PolarHBondContact O-N 2.8Å; E565-F568 PolarHBondContact O-N 3.47Å; E565-F568 VanDerWaalsContact O-N 3.15Å; E565-F569 PolarHBondContact O-N 3.06Å
566	Q	81.9	Confident	83	Confident	130 Å²	130	57.8 Å²	57.8	61%	0.607	30%	0.302	S	S	*	.	H	α-helix	trans	-58.5	-41.7	173.9	-174.5	174.3	-12.1	0	0	110.9	D564 F568 F569 E570	D564-Q566 PolarHBondContact O-N 3.01Å; Q566-F568 PolarHBondContact O-N 3.42Å; Q566-F569 PolarHBondContact O-N 2.89Å; Q566-E570 HydrophobicContact CG-CG 4.42Å; Q566-E570 WeakPolarHBondContact CG-OE1 3.42Å; Q566-E570 PolarHBondContact NE2-OE1 3.14Å; Q566-E570 WeakPolarHBondContact O-CB 3.46Å; Q566-E570 VanDerWaalsContact O-CG 3.26Å; Q566-E570 WeakPolarHBondContact O-CG 3.29Å; Q566-E570 PolarHBondContact O-N 3.31Å
567	W	86.9	Confident	83.5	Confident	95 Å²	95	55.2 Å²	55.2	36%	0.36	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-43.8	175.3	175.8	88.9	0	0	0	111.4	S486 D489 D564 E565 F569 E570 S571	S486-W567 WeakPolarHBondContact O-CH2 3.49Å; S486-W567 WeakPolarHBondContact O-CZ2 3.26Å; D489-W567 WeakPolarHBondContact OD1-CH2 3.32Å; D489-W567 WeakPolarHBondContact OD1-CZ2 3.31Å; D564-W567 PolarHBondContact O-N 2.7Å; E565-W567 VanDerWaalsContact C-N 3.26Å; E565-W567 PolarHBondContact O-N 2.8Å; W567-F569 PolarHBondContact O-N 2.89Å; W567-E570 PolarHBondContact O-N 2.83Å; W567-S571 VanDerWaalsContact O-CB 3.25Å; W567-S571 WeakPolarHBondContact O-CB 3.27Å; W567-S571 PolarHBondContact O-N 3.4Å
568	F	87.3	Confident	84	Confident	7 Å²	7	58 Å²	58	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-63.3	-44.5	-178.5	-173.9	-95.8	0	0	0	111.5	L477 M481 L484 L491 L495 F558 E565 Q566 S571 A572	L477-F568 HydrophobicContact CD2-CE1 4.2Å; M481-F568 HydrophobicContact CE-CB 4.12Å; M481-F568 HydrophobicContact CE-CD1 3.75Å; M481-F568 HydrophobicContact CE-CE1 4.36Å; M481-F568 HydrophobicContact CE-CG 3.95Å; M481-F568 HydrophobicContact SD-CD1 4.35Å; M481-F568 HydrophobicContact SD-CE1 4.38Å; L484-F568 HydrophobicContact CD1-CD2 4.33Å; L484-F568 HydrophobicContact CD1-CE2 4.2Å; L491-F568 HydrophobicContact CB-CE2 3.73Å; L491-F568 HydrophobicContact CB-CZ 3.95Å; L495-F568 HydrophobicContact CD2-CE1 3.75Å; L495-F568 HydrophobicContact CD2-CZ 4.41Å; F558-F568 AromaticContact CE2-CD1 3.95Å; F558-F568 HydrophobicContact CE2-CD1 3.95Å; F558-F568 HydrophobicContact CE2-CE1 4.21Å; F558-F568 AromaticContact CZ-CD1 3.98Å; F558-F568 HydrophobicContact CZ-CD1 3.98Å; F558-F568 AromaticContact CZ-CE1 3.9Å; F558-F568 HydrophobicContact CZ-CE1 3.9Å; E565-F568 PolarHBondContact O-N 3.47Å; E565-F568 VanDerWaalsContact O-N 3.15Å; Q566-F568 PolarHBondContact O-N 3.42Å; F568-S571 PolarHBondContact O-N 3.1Å; F568-A572 WeakPolarHBondContact O-CB 3.33Å; F568-A572 PolarHBondContact O-N 3.24Å
569	F	90.3	Very high	84.4	Confident	9 Å²	9	62 Å²	62	4%	0.039	34%	0.34	C	S	.	.	H	α-helix	trans	-61.9	-47	174.2	-176	-109.3	0	0	0	111.8	L554 E555 F558 E565 Q566 W567 S571 A572 L573	L554-F569 HydrophobicContact CB-CE2 4.36Å; L554-F569 HydrophobicContact CD2-CD2 4.43Å; L554-F569 HydrophobicContact CD2-CE2 4.21Å; L554-F569 HydrophobicContact CG-CD2 4.34Å; L554-F569 HydrophobicContact CG-CE2 4.19Å; E555-F569 HydrophobicContact CB-CD1 4.15Å; E555-F569 HydrophobicContact CB-CD2 4.4Å; E555-F569 HydrophobicContact CB-CE1 3.65Å; E555-F569 HydrophobicContact CB-CE2 3.92Å; E555-F569 HydrophobicContact CB-CZ 3.54Å; E555-F569 HydrophobicContact CG-CD1 3.94Å; E555-F569 HydrophobicContact CG-CE1 3.69Å; E555-F569 HydrophobicContact CG-CZ 4.13Å; F558-F569 HydrophobicContact CD2-CB 3.83Å; F558-F569 AromaticContact CD2-CD2 3.72Å; F558-F569 HydrophobicContact CD2-CD2 3.72Å; F558-F569 HydrophobicContact CD2-CG 4.17Å; F558-F569 HydrophobicContact CE2-CB 4.46Å; F558-F569 HydrophobicContact CE2-CD2 4.06Å; E565-F569 PolarHBondContact O-N 3.06Å; Q566-F569 PolarHBondContact O-N 2.89Å; W567-F569 PolarHBondContact O-N 2.89Å; F569-S571 PolarHBondContact O-N 2.8Å; F569-A572 PolarHBondContact O-N 3.17Å; F569-L573 HydrophobicContact CE1-CD2 4.18Å; F569-L573 VanDerWaalsContact O-CB 3.22Å; F569-L573 WeakPolarHBondContact O-CB 3.11Å; F569-L573 PolarHBondContact O-N 3.24Å
570	E	91.2	Very high	84.9	Confident	83 Å²	83	58.9 Å²	58.9	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-63.3	-40.9	179.5	-75.1	177.4	-171.6	0	0	111.8	Q566 W567 L573 Q574	Q566-E570 HydrophobicContact CG-CG 4.42Å; Q566-E570 WeakPolarHBondContact CG-OE1 3.42Å; Q566-E570 PolarHBondContact NE2-OE1 3.14Å; Q566-E570 WeakPolarHBondContact O-CB 3.46Å; Q566-E570 VanDerWaalsContact O-CG 3.26Å; Q566-E570 WeakPolarHBondContact O-CG 3.29Å; Q566-E570 PolarHBondContact O-N 3.31Å; W567-E570 PolarHBondContact O-N 2.83Å; E570-L573 WeakPolarHBondContact O-CB 3.26Å; E570-L573 PolarHBondContact O-N 2.9Å; E570-Q574 WeakPolarHBondContact O-CG 3.5Å; E570-Q574 PolarHBondContact O-N 3.1Å
571	S	90.2	Very high	85.5	Confident	8 Å²	8	61.1 Å²	61.1	6%	0.056	32%	0.319	C	S	.	.	H	α-helix	trans	-63.5	-45.2	174.3	-176.2	0	0	0	0	111.3	S492 W567 F568 F569 L573 Q574 H575	S492-S571 WeakPolarHBondContact CB-OG 3.42Å; S492-S571 PolarHBondContact OG-OG 3.08Å; W567-S571 VanDerWaalsContact O-CB 3.25Å; W567-S571 WeakPolarHBondContact O-CB 3.27Å; W567-S571 PolarHBondContact O-N 3.4Å; F568-S571 PolarHBondContact O-N 3.1Å; F569-S571 PolarHBondContact O-N 2.8Å; S571-L573 VanDerWaalsContact C-N 3.29Å; S571-L573 PolarHBondContact O-N 3Å; S571-Q574 PolarHBondContact O-N 3.12Å; S571-H575 PolarHBondContact O-N 3.19Å; S571-H575 PolarHBondContact O-ND1 3.36Å
572	A	92.1	Very high	86.3	Confident	3 Å²	3	63.4 Å²	63.4	3%	0.025	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-35.7	175.3	0	0	0	0	0	111.9	S492 L495 G496 F568 F569 H575 Y576	S492-A572 VanDerWaalsContact O-CA 3.31Å; S492-A572 WeakPolarHBondContact O-CA 3.39Å; S492-A572 WeakPolarHBondContact O-CB 3.42Å; L495-A572 HydrophobicContact CB-CB 4.32Å; L495-A572 HydrophobicContact CD2-CB 4.14Å; L495-A572 HydrophobicContact CG-CB 4.31Å; G496-A572 WeakPolarHBondContact CA-O 3.49Å; F568-A572 WeakPolarHBondContact O-CB 3.33Å; F568-A572 PolarHBondContact O-N 3.24Å; F569-A572 PolarHBondContact O-N 3.17Å; A572-H575 PolarHBondContact O-N 2.76Å; A572-Y576 WeakPolarHBondContact O-CB 3.43Å; A572-Y576 PolarHBondContact O-N 3.03Å
573	L	94.5	Very high	87.5	Confident	19 Å²	19	60.5 Å²	60.5	10%	0.099	31%	0.313	C	S	.	.	H	α-helix	trans	-67.9	-37.9	177.3	-169.9	65	0	0	0	111.9	L551 F569 E570 S571 Y576 V577 L587 L590	L551-L573 HydrophobicContact CD1-CD1 3.99Å; F569-L573 HydrophobicContact CE1-CD2 4.18Å; F569-L573 VanDerWaalsContact O-CB 3.22Å; F569-L573 WeakPolarHBondContact O-CB 3.11Å; F569-L573 PolarHBondContact O-N 3.24Å; E570-L573 WeakPolarHBondContact O-CB 3.26Å; E570-L573 PolarHBondContact O-N 2.9Å; S571-L573 VanDerWaalsContact C-N 3.29Å; S571-L573 PolarHBondContact O-N 3Å; L573-Y576 HydrophobicContact CD1-CD1 4.18Å; L573-Y576 WeakPolarHBondContact O-CB 3.39Å; L573-Y576 PolarHBondContact O-N 3.24Å; L573-V577 WeakPolarHBondContact O-CG2 3.33Å; L573-V577 PolarHBondContact O-N 2.7Å; L573-L587 HydrophobicContact CD1-CD2 3.66Å; L573-L587 HydrophobicContact CD2-CD2 3.6Å; L573-L587 HydrophobicContact CG-CD2 3.63Å; L573-L590 HydrophobicContact CD1-CD2 4.19Å; L573-L590 HydrophobicContact CD2-CD2 4.15Å
574	Q	93.3	Very high	88.9	Confident	134 Å²	134	60.3 Å²	60.3	63%	0.626	31%	0.305	S	S	*	.	H	α-helix	trans	-61.3	-47.1	173.1	-72.8	173.3	11.6	0	0	111.4	E570 S571 Y576 V577 A578	E570-Q574 WeakPolarHBondContact O-CG 3.5Å; E570-Q574 PolarHBondContact O-N 3.1Å; S571-Q574 PolarHBondContact O-N 3.12Å; Q574-Y576 VanDerWaalsContact C-N 3.33Å; Q574-Y576 PolarHBondContact O-N 2.91Å; Q574-V577 PolarHBondContact O-N 3.09Å; Q574-A578 PolarHBondContact O-N 2.95Å
575	H	93.8	Very high	90.1	Very high	49 Å²	49	58.8 Å²	58.8	23%	0.227	30%	0.295	C	S	.	.	H	α-helix	trans	-65.6	-36.1	176	-68.5	97.3	0	0	0	112.4	S571 A572 A578 N579	S571-H575 PolarHBondContact O-N 3.19Å; S571-H575 PolarHBondContact O-ND1 3.36Å; A572-H575 PolarHBondContact O-N 2.76Å; H575-A578 PolarHBondContact O-N 3.16Å; H575-N579 PolarHBondContact O-N 2.94Å; H575-N579 PolarHBondContact O-ND2 3.34Å
576	Y	95.8	Very high	91	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-58.3	-47.8	172.2	169.3	-94.2	0	0	0	111.5	G496 L499 A500 H503 L551 A572 L573 Q574 A578 N579 A580 V586	G496-Y576 WeakPolarHBondContact O-CA 3.34Å; L499-Y576 HydrophobicContact CB-CD2 3.74Å; L499-Y576 HydrophobicContact CB-CE2 4.28Å; A500-Y576 HydrophobicContact CB-CD2 3.95Å; A500-Y576 HydrophobicContact CB-CE2 4.36Å; H503-Y576 HydrophobicContact CB-CE2 4.09Å; H503-Y576 AromaticContact CG-CE2 3.94Å; H503-Y576 AromaticContact ND1-CE2 3.28Å; H503-Y576 VanDerWaalsContact ND1-CE2 3.28Å; H503-Y576 WeakPolarHBondContact ND1-CE2 3.11Å; H503-Y576 AromaticContact ND1-CZ 3.43Å; H503-Y576 PolarHBondContact ND1-OH 3.35Å; L551-Y576 HydrophobicContact CD1-CD1 4.19Å; L551-Y576 HydrophobicContact CD1-CE1 3.83Å; A572-Y576 WeakPolarHBondContact O-CB 3.43Å; A572-Y576 PolarHBondContact O-N 3.03Å; L573-Y576 HydrophobicContact CD1-CD1 4.18Å; L573-Y576 WeakPolarHBondContact O-CB 3.39Å; L573-Y576 PolarHBondContact O-N 3.24Å; Q574-Y576 VanDerWaalsContact C-N 3.33Å; Q574-Y576 PolarHBondContact O-N 2.91Å; Y576-A578 VanDerWaalsContact C-N 3.34Å; Y576-A578 PolarHBondContact O-N 3.4Å; Y576-N579 PolarHBondContact O-N 3.43Å; Y576-A580 HydrophobicContact CD2-CB 4.48Å; Y576-A580 HydrophobicContact CE1-CB 4.2Å; Y576-A580 HydrophobicContact CE2-CB 4.11Å; Y576-A580 WeakPolarHBondContact O-CB 3.41Å; Y576-A580 PolarHBondContact O-N 2.96Å; Y576-V586 HydrophobicContact CE1-CB 4.25Å; Y576-V586 HydrophobicContact CE1-CG1 4.15Å; Y576-V586 WeakPolarHBondContact OH-CG1 3.25Å
577	V	95.1	Very high	91.6	Very high	33 Å²	33	54.3 Å²	54.3	20%	0.2	28%	0.276	C	S	.	.	H	α-helix	trans	-66.2	-38.6	-178.9	175.3	0	0	0	0	111.7	L573 Q574 N579 N584 L587	L573-V577 WeakPolarHBondContact O-CG2 3.33Å; L573-V577 PolarHBondContact O-N 2.7Å; Q574-V577 PolarHBondContact O-N 3.09Å; V577-N579 PolarHBondContact O-N 3Å; V577-N584 WeakPolarHBondContact CG1-OD1 3.33Å; V577-L587 HydrophobicContact CB-CD1 4.33Å; V577-L587 HydrophobicContact CG1-CD1 4.13Å; V577-L587 HydrophobicContact CG2-CD1 3.25Å; V577-L587 HydrophobicContact CG2-CD2 3.86Å; V577-L587 HydrophobicContact CG2-CG 3.48Å; V577-L587 VanDerWaalsContact CG2-CG 3.48Å
578	A	93.4	Very high	91.9	Very high	83 Å²	83	58.2 Å²	58.2	69%	0.686	29%	0.29	S	S	*	.	H	α-helix	trans	-63.5	-29.6	177.2	0	0	0	0	0	112.9	Q574 H575 Y576	Q574-A578 PolarHBondContact O-N 2.95Å; H575-A578 PolarHBondContact O-N 3.16Å; Y576-A578 VanDerWaalsContact C-N 3.34Å; Y576-A578 PolarHBondContact O-N 3.4Å
579	N	93.3	Very high	92.2	Very high	85 Å²	85	60.3 Å²	60.3	46%	0.455	30%	0.299	S	S	.	.	H	α-helix	trans	-105.4	-21.1	-173.9	-72.8	-83.1	0	0	0	114.3	A500 H575 Y576 V577	A500-N579 HydrophobicContact CB-CB 3.57Å; H575-N579 PolarHBondContact O-N 2.94Å; H575-N579 PolarHBondContact O-ND2 3.34Å; Y576-N579 PolarHBondContact O-N 3.43Å; V577-N579 PolarHBondContact O-N 3Å
580	A	90.6	Very high	92.4	Very high	11 Å²	11	59.9 Å²	59.9	9%	0.091	30%	0.297	C	S	.	.			trans	-87.4	125.8	-178.7	0	0	0	0	0	111.5	A500 Y576 E582 G583	A500-A580 HydrophobicContact CB-CB 3.9Å; Y576-A580 HydrophobicContact CD2-CB 4.48Å; Y576-A580 HydrophobicContact CE1-CB 4.2Å; Y576-A580 HydrophobicContact CE2-CB 4.11Å; Y576-A580 WeakPolarHBondContact O-CB 3.41Å; Y576-A580 PolarHBondContact O-N 2.96Å; A580-E582 PolarHBondContact O-N 3.22Å; A580-G583 PolarHBondContact O-N 2.83Å
581	K	87	Confident	92.5	Very high	191 Å²	191	61.4 Å²	61.4	83%	0.83	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-32.7	178.2	-69.3	-174.2	178.7	-178.5	0	113.7	T504	T504-K581 HydrophobicContact CG2-CD 4.2Å; T504-K581 HydrophobicContact CG2-CG 4.27Å
582	E	86.9	Confident	92.6	Very high	87 Å²	87	64.9 Å²	64.9	41%	0.407	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	19.9	-178.9	-66.3	175.2	173.2	0	0	112.3	K547 A580 N584 M585 V586	K547-E582 IonicContact NZ-OE2 3.76Å; K547-E582 PolarHBondContact NZ-OE2 2.77Å; A580-E582 PolarHBondContact O-N 3.22Å; E582-N584 VanDerWaalsContact C-N 3.33Å; E582-N584 PolarHBondContact O-N 2.72Å; E582-M585 HydrophobicContact CB-CE 3.86Å; E582-M585 HydrophobicContact CG-CE 3.88Å; E582-M585 WeakPolarHBondContact O-CB 3.21Å; E582-M585 PolarHBondContact O-N 3.29Å; E582-M585 WeakPolarHBondContact OE2-CE 3.33Å; E582-V586 PolarHBondContact O-N 2.79Å
583	G	89.8	Confident	92.5	Very high	2 Å²	2	65.3 Å²	65.3	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-51.2	-47.8	-171.8	0	0	0	0	0	113.4	A580 M585 V586 L587	A580-G583 PolarHBondContact O-N 2.83Å; G583-M585 VanDerWaalsContact C-N 3.34Å; G583-M585 PolarHBondContact O-N 3.27Å; G583-V586 PolarHBondContact O-N 2.82Å; G583-L587 WeakPolarHBondContact O-CG 3.37Å; G583-L587 PolarHBondContact O-N 3.5Å
584	N	91.8	Very high	92.3	Very high	107 Å²	107	66.9 Å²	66.9	57%	0.572	33%	0.327	S	S	*	.	H	α-helix	trans	-63.1	-35	178.4	-71.4	-41.6	0	0	0	113.8	V577 E582 R588	V577-N584 WeakPolarHBondContact CG1-OD1 3.33Å; E582-N584 VanDerWaalsContact C-N 3.33Å; E582-N584 PolarHBondContact O-N 2.72Å; N584-R588 WeakPolarHBondContact O-CG 3.47Å; N584-R588 PolarHBondContact O-N 3.07Å
585	M	92.6	Very high	91.9	Very high	93 Å²	93	65.5 Å²	65.5	46%	0.458	32%	0.321	S	S	.	.	H	α-helix	trans	-70.6	-42.6	176.7	-179.4	176.3	59.6	0	0	110.5	A544 E582 G583 L587 R588 K589	A544-M585 HydrophobicContact CB-CE 3.94Å; A544-M585 HydrophobicContact CB-CG 4.16Å; A544-M585 HydrophobicContact CB-SD 4.33Å; E582-M585 HydrophobicContact CB-CE 3.86Å; E582-M585 HydrophobicContact CG-CE 3.88Å; E582-M585 WeakPolarHBondContact O-CB 3.21Å; E582-M585 PolarHBondContact O-N 3.29Å; E582-M585 WeakPolarHBondContact OE2-CE 3.33Å; G583-M585 VanDerWaalsContact C-N 3.34Å; G583-M585 PolarHBondContact O-N 3.27Å; M585-L587 VanDerWaalsContact C-N 3.32Å; M585-L587 PolarHBondContact O-N 2.82Å; M585-R588 PolarHBondContact O-N 2.84Å; M585-K589 PolarHBondContact O-N 2.9Å; M585-K589 VanDerWaalsContact O-N 3.12Å
586	V	94.2	Very high	91.3	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-38.4	176.4	179	0	0	0	0	111	A544 K547 A548 L551 Y576 E582 G583 K589 L590	A544-V586 HydrophobicContact CB-CG2 4.41Å; K547-V586 HydrophobicContact CB-CG1 3.83Å; K547-V586 HydrophobicContact CB-CG2 4Å; K547-V586 HydrophobicContact CD-CG2 3.75Å; A548-V586 HydrophobicContact CB-CG1 4.31Å; L551-V586 HydrophobicContact CD1-CG1 3.85Å; Y576-V586 HydrophobicContact CE1-CB 4.25Å; Y576-V586 HydrophobicContact CE1-CG1 4.15Å; Y576-V586 WeakPolarHBondContact OH-CG1 3.25Å; E582-V586 PolarHBondContact O-N 2.79Å; G583-V586 PolarHBondContact O-N 2.82Å; V586-K589 CarbonylContact O-C 3.54Å; V586-K589 WeakPolarHBondContact O-CB 3.43Å; V586-K589 PolarHBondContact O-N 3.28Å; V586-L590 WeakPolarHBondContact O-CB 3.29Å; V586-L590 PolarHBondContact O-N 2.92Å
587	L	93.6	Very high	90	Very high	40 Å²	40	69.5 Å²	69.5	21%	0.209	34%	0.339	C	S	.	.	H	α-helix	trans	-59.1	-48.8	174.1	-79.6	-177	0	0	0	113.3	L573 V577 G583 M585 K589 L590 E591	L573-L587 HydrophobicContact CD1-CD2 3.66Å; L573-L587 HydrophobicContact CD2-CD2 3.6Å; L573-L587 HydrophobicContact CG-CD2 3.63Å; V577-L587 HydrophobicContact CB-CD1 4.33Å; V577-L587 HydrophobicContact CG1-CD1 4.13Å; V577-L587 HydrophobicContact CG2-CD1 3.25Å; V577-L587 HydrophobicContact CG2-CD2 3.86Å; V577-L587 HydrophobicContact CG2-CG 3.48Å; V577-L587 VanDerWaalsContact CG2-CG 3.48Å; G583-L587 WeakPolarHBondContact O-CG 3.37Å; G583-L587 PolarHBondContact O-N 3.5Å; M585-L587 VanDerWaalsContact C-N 3.32Å; M585-L587 PolarHBondContact O-N 2.82Å; L587-K589 PolarHBondContact O-N 3.48Å; L587-L590 WeakPolarHBondContact O-CB 3.27Å; L587-L590 PolarHBondContact O-N 3.01Å; L587-L590 VanDerWaalsContact O-N 3.1Å; L587-E591 PolarHBondContact O-N 2.75Å
588	R	93.4	Very high	88.3	Confident	177 Å²	177	74.2 Å²	74.2	67%	0.668	35%	0.353	S	S	*	.	H	α-helix	trans	-57.9	-39.1	176.3	-70.1	177.5	-171.3	170.2	2.8	110.8	N584 M585 E591 E592	N584-R588 WeakPolarHBondContact O-CG 3.47Å; N584-R588 PolarHBondContact O-N 3.07Å; M585-R588 PolarHBondContact O-N 2.84Å; R588-E591 WeakPolarHBondContact O-CB 3.37Å; R588-E591 PolarHBondContact O-N 2.84Å; R588-E592 PolarHBondContact O-N 2.61Å; R588-E592 VanDerWaalsContact O-N 3.13Å
589	K	94.2	Very high	86	Confident	51 Å²	51	77.6 Å²	77.6	22%	0.222	35%	0.352	C	S	.	.	H	α-helix	trans	-69.9	-36.6	177.1	-148.3	73.3	-167	169.4	0	112.8	E545 A548 M585 V586 L587 E591 E592 V593	E545-K589 HydrophobicContact CB-CG 4.23Å; E545-K589 WeakPolarHBondContact OE2-CE 3.44Å; E545-K589 IonicContact OE2-NZ 3.73Å; A548-K589 HydrophobicContact CB-CB 3.87Å; A548-K589 HydrophobicContact CB-CG 4.21Å; M585-K589 PolarHBondContact O-N 2.9Å; M585-K589 VanDerWaalsContact O-N 3.12Å; V586-K589 CarbonylContact O-C 3.54Å; V586-K589 WeakPolarHBondContact O-CB 3.43Å; V586-K589 PolarHBondContact O-N 3.28Å; L587-K589 PolarHBondContact O-N 3.48Å; K589-E591 VanDerWaalsContact C-N 3.31Å; K589-E591 PolarHBondContact O-N 3.42Å; K589-E592 WeakPolarHBondContact CE-OE2 3.26Å; K589-E592 VanDerWaalsContact NZ-CD 3.34Å; K589-E592 IonicContact NZ-OE1 2.81Å; K589-E592 PolarHBondContact NZ-OE1 3.3Å; K589-E592 IonicContact NZ-OE2 2.83Å; K589-E592 PolarHBondContact NZ-OE2 2.88Å; K589-E592 WeakPolarHBondContact O-CB 3.16Å; K589-E592 PolarHBondContact O-N 2.78Å; K589-V593 VanDerWaalsContact O-CG2 3.31Å; K589-V593 WeakPolarHBondContact O-CG2 3.48Å; K589-V593 PolarHBondContact O-N 3.37Å
590	L	93.9	Very high	83.7	Confident	0 Å²	0	83.3 Å²	83.3	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-61	-40	172.4	177.8	62.2	0	0	0	111.2	A548 L551 F552 L573 V586 L587 V593 R594	A548-L590 HydrophobicContact CB-CB 4.15Å; A548-L590 WeakPolarHBondContact O-CD1 3.43Å; L551-L590 HydrophobicContact CB-CD1 4.19Å; L551-L590 HydrophobicContact CB-CD2 4.26Å; L551-L590 HydrophobicContact CD1-CD2 4.44Å; F552-L590 HydrophobicContact CB-CD1 3.78Å; F552-L590 HydrophobicContact CD2-CD1 4.44Å; L573-L590 HydrophobicContact CD1-CD2 4.19Å; L573-L590 HydrophobicContact CD2-CD2 4.15Å; V586-L590 WeakPolarHBondContact O-CB 3.29Å; V586-L590 PolarHBondContact O-N 2.92Å; L587-L590 WeakPolarHBondContact O-CB 3.27Å; L587-L590 PolarHBondContact O-N 3.01Å; L587-L590 VanDerWaalsContact O-N 3.1Å; L590-V593 PolarHBondContact O-N 2.93Å; L590-R594 HydrophobicContact CD1-CG 4.49Å; L590-R594 WeakPolarHBondContact O-CB 3.33Å; L590-R594 VanDerWaalsContact O-CG 3.25Å; L590-R594 WeakPolarHBondContact O-CG 3.44Å; L590-R594 PolarHBondContact O-N 2.72Å
591	E	92.9	Very high	81.5	Confident	114 Å²	114	88 Å²	88	53%	0.533	39%	0.391	S	S	.	.	H	α-helix	trans	-62.2	-43.6	172.5	-69.5	173.4	-175.4	0	0	112.2	L587 R588 K589 V593 R594 M595	L587-E591 PolarHBondContact O-N 2.75Å; R588-E591 WeakPolarHBondContact O-CB 3.37Å; R588-E591 PolarHBondContact O-N 2.84Å; K589-E591 VanDerWaalsContact C-N 3.31Å; K589-E591 PolarHBondContact O-N 3.42Å; E591-V593 PolarHBondContact O-N 2.89Å; E591-R594 PolarHBondContact O-N 2.97Å; E591-M595 VanDerWaalsContact O-CG 3.3Å; E591-M595 WeakPolarHBondContact O-CG 3.48Å; E591-M595 PolarHBondContact O-N 3.25Å
592	E	91.8	Very high	79.2	Confident	81 Å²	81	86.3 Å²	86.3	38%	0.379	39%	0.388	S	S	.	.	H	α-helix	trans	-60	-44.7	173.3	-68.3	-179.6	-140.5	0	0	112.1	R588 K589 M595 R596	R588-E592 PolarHBondContact O-N 2.61Å; R588-E592 VanDerWaalsContact O-N 3.13Å; K589-E592 WeakPolarHBondContact CE-OE2 3.26Å; K589-E592 VanDerWaalsContact NZ-CD 3.34Å; K589-E592 IonicContact NZ-OE1 2.81Å; K589-E592 PolarHBondContact NZ-OE1 3.3Å; K589-E592 IonicContact NZ-OE2 2.83Å; K589-E592 PolarHBondContact NZ-OE2 2.88Å; K589-E592 WeakPolarHBondContact O-CB 3.16Å; K589-E592 PolarHBondContact O-N 2.78Å; E592-M595 PolarHBondContact O-N 2.91Å; E592-R596 WeakPolarHBondContact O-CG 3.38Å; E592-R596 PolarHBondContact O-N 3.28Å; E592-R596 IonicContact OE2-NH2 3.6Å; E592-R596 PolarHBondContact OE2-NH2 2.79Å
593	V	90.4	Very high	77.1	Confident	12 Å²	12	88.3 Å²	88.3	7%	0.073	41%	0.406	C	S	.	.	H	α-helix	trans	-61.8	-45.7	177.4	172.3	0	0	0	0	110.6	E545 A548 V549 F552 K589 L590 E591 M595 R596 G597	E545-V593 WeakPolarHBondContact OE1-CG2 3.45Å; A548-V593 HydrophobicContact CB-CG2 4.12Å; V549-V593 HydrophobicContact CG2-CG1 4.49Å; V549-V593 HydrophobicContact CG2-CG2 4.27Å; F552-V593 HydrophobicContact CB-CG1 3.79Å; F552-V593 HydrophobicContact CD1-CG1 3.86Å; F552-V593 HydrophobicContact CD2-CG1 4.05Å; F552-V593 HydrophobicContact CE1-CG1 4.44Å; F552-V593 HydrophobicContact CG-CG1 3.62Å; K589-V593 VanDerWaalsContact O-CG2 3.31Å; K589-V593 WeakPolarHBondContact O-CG2 3.48Å; K589-V593 PolarHBondContact O-N 3.37Å; L590-V593 PolarHBondContact O-N 2.93Å; E591-V593 PolarHBondContact O-N 2.89Å; V593-M595 VanDerWaalsContact C-N 3.29Å; V593-M595 PolarHBondContact O-N 3.03Å; V593-R596 PolarHBondContact O-N 3.49Å; V593-R596 VanDerWaalsContact O-N 3.16Å; V593-G597 PolarHBondContact O-N 2.88Å
594	R	91.2	Very high	74.3	Confident	53 Å²	53	93.9 Å²	93.9	20%	0.2	46%	0.464	C	S	.	.	H	α-helix	trans	-57.1	-40.3	174.4	-75.6	166.7	168.5	170.1	-10.8	112.1	F552 E555 L590 E591 R598	F552-R594 HydrophobicContact CD2-CG 3.92Å; F552-R594 HydrophobicContact CE2-CG 4.02Å; E555-R594 VanDerWaalsContact CD-NE 3.32Å; E555-R594 VanDerWaalsContact CD-NH2 3.3Å; E555-R594 IonicContact OE1-CZ 3.47Å; E555-R594 IonicContact OE1-NE 3.51Å; E555-R594 PolarHBondContact OE1-NE 3.36Å; E555-R594 IonicContact OE1-NH2 2.74Å; E555-R594 PolarHBondContact OE1-NH2 2.85Å; E555-R594 IonicContact OE2-CZ 3.4Å; E555-R594 IonicContact OE2-NE 4Å; E555-R594 PolarHBondContact OE2-NE 2.81Å; E555-R594 IonicContact OE2-NH2 3.98Å; L590-R594 HydrophobicContact CD1-CG 4.49Å; L590-R594 WeakPolarHBondContact O-CB 3.33Å; L590-R594 VanDerWaalsContact O-CG 3.25Å; L590-R594 WeakPolarHBondContact O-CG 3.44Å; L590-R594 PolarHBondContact O-N 2.72Å; E591-R594 PolarHBondContact O-N 2.97Å; R594-R598 WeakPolarHBondContact O-CG 3.41Å; R594-R598 PolarHBondContact O-N 3.44Å; R594-R598 VanDerWaalsContact O-N 3.1Å
595	M	85.3	Confident	73.4	Confident	104 Å²	104	93.3 Å²	93.3	51%	0.512	46%	0.458	S	S	.	.	H	α-helix	trans	-68.9	-38.5	177.4	-70.5	-61	-72.9	0	0	112.3	E591 E592 V593 R598 K599	E591-M595 VanDerWaalsContact O-CG 3.3Å; E591-M595 WeakPolarHBondContact O-CG 3.48Å; E591-M595 PolarHBondContact O-N 3.25Å; E592-M595 PolarHBondContact O-N 2.91Å; V593-M595 VanDerWaalsContact C-N 3.29Å; V593-M595 PolarHBondContact O-N 3.03Å; M595-R598 VanDerWaalsContact SD-CZ 3.59Å; M595-R598 PolarHBondContact SD-NH2 3.33Å; M595-K599 PolarHBondContact O-N 3.14Å
596	R	81.2	Confident	72.4	Confident	122 Å²	122	93.3 Å²	93.3	46%	0.46	46%	0.458	S	S	.	.	H	α-helix	trans	-67.9	-39.5	174.9	-68.2	175.2	-169.3	159.3	7.7	111.9	E545 E592 V593 K599 R600	E545-R596 VanDerWaalsContact CD-NH1 3.26Å; E545-R596 IonicContact OE1-CZ 2.67Å; E545-R596 IonicContact OE1-NH1 3.51Å; E545-R596 PolarHBondContact OE1-NH1 2.96Å; E545-R596 IonicContact OE2-CZ 3Å; E545-R596 IonicContact OE2-NH1 2.84Å; E545-R596 PolarHBondContact OE2-NH1 2.77Å; E545-R596 IonicContact OE2-NH2 2.73Å; E592-R596 WeakPolarHBondContact O-CG 3.38Å; E592-R596 PolarHBondContact O-N 3.28Å; E592-R596 IonicContact OE2-NH2 3.6Å; E592-R596 PolarHBondContact OE2-NH2 2.79Å; V593-R596 PolarHBondContact O-N 3.49Å; V593-R596 VanDerWaalsContact O-N 3.16Å; R596-K599 PolarHBondContact O-N 2.93Å; R596-R600 PolarHBondContact O-N 2.82Å
597	G	68.2	Low	71.2	Confident	14 Å²	14	98.4 Å²	98.4	14%	0.144	48%	0.484	C	S	.	.	H	α-helix	trans	-59.7	-48.4	174.6	0	0	0	0	0	112.1	V593 K599 R600 D601	V593-G597 PolarHBondContact O-N 2.88Å; G597-K599 VanDerWaalsContact C-N 3.26Å; G597-K599 PolarHBondContact O-N 3.37Å; G597-R600 WeakPolarHBondContact O-CB 3.33Å; G597-R600 PolarHBondContact O-N 2.76Å; G597-D601 PolarHBondContact O-N 3.37Å
598	R	58.7	Low	69.9	Low	132 Å²	132	101.9 Å²	101.9	50%	0.498	50%	0.5	S	S	.	.	H	α-helix	trans	-58.9	-33.4	176.7	-78.7	-174.9	-90	-175.2	-8.2	113.8	R594 M595 R600 D601 M602	R594-R598 WeakPolarHBondContact O-CG 3.41Å; R594-R598 PolarHBondContact O-N 3.44Å; R594-R598 VanDerWaalsContact O-N 3.1Å; M595-R598 VanDerWaalsContact SD-CZ 3.59Å; M595-R598 PolarHBondContact SD-NH2 3.33Å; R598-R600 VanDerWaalsContact C-N 3.31Å; R598-R600 PolarHBondContact O-N 3.24Å; R598-D601 PolarHBondContact O-N 3.24Å; R598-M602 WeakPolarHBondContact O-CG 3.22Å; R598-M602 PolarHBondContact O-N 2.88Å
599	K	45.4	Very low	68.4	Low	154 Å²	154	97.2 Å²	97.2	67%	0.67	49%	0.489	S	S	*	.	H	α-helix	trans	-67.8	-29.5	174.3	-77.8	-173.3	177.5	-176.3	0	113.1	M595 R596 G597 V603	M595-K599 PolarHBondContact O-N 3.14Å; R596-K599 PolarHBondContact O-N 2.93Å; G597-K599 VanDerWaalsContact C-N 3.26Å; G597-K599 PolarHBondContact O-N 3.37Å; K599-V603 VanDerWaalsContact O-CG2 3.26Å; K599-V603 WeakPolarHBondContact O-CG2 3.19Å; K599-V603 PolarHBondContact O-N 2.61Å
600	R	44.7	Very low	66.7	Low	204 Å²	204	100.3 Å²	100.3	77%	0.77	51%	0.507	S	S	*	.	H	α-helix	trans	-72.9	-39.4	174.5	-71.1	-178.2	174.3	168.2	-1.2	111.1	R596 G597 R598 M602 V603 G604	R596-R600 PolarHBondContact O-N 2.82Å; G597-R600 WeakPolarHBondContact O-CB 3.33Å; G597-R600 PolarHBondContact O-N 2.76Å; R598-R600 VanDerWaalsContact C-N 3.31Å; R598-R600 PolarHBondContact O-N 3.24Å; R600-M602 PolarHBondContact O-N 2.96Å; R600-V603 PolarHBondContact O-N 3.47Å; R600-G604 PolarHBondContact O-N 3.45Å
601	D	44.2	Very low	64.8	Low	110 Å²	110	107.4 Å²	107.4	59%	0.588	54%	0.543	S	S	*	.	H	α-helix	trans	-69.3	-18.4	177.8	-59.6	-23.9	0	0	0	113.5	G597 R598	G597-D601 PolarHBondContact O-N 3.37Å; R598-D601 PolarHBondContact O-N 3.24Å
602	M	38.8	Very low	62.6	Low	155 Å²	155	106.9 Å²	106.9	76%	0.764	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-9.7	175	-67.4	-174.3	-159.9	0	0	114.1	R598 R600	R598-M602 WeakPolarHBondContact O-CG 3.22Å; R598-M602 PolarHBondContact O-N 2.88Å; R600-M602 PolarHBondContact O-N 2.96Å
603	V	42.7	Very low	60.2	Low	130 Å²	130	109.1 Å²	109.1	79%	0.788	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119	-13	-174.5	-179.8	0	0	0	0	112.4	K599 R600	K599-V603 VanDerWaalsContact O-CG2 3.26Å; K599-V603 WeakPolarHBondContact O-CG2 3.19Å; K599-V603 PolarHBondContact O-N 2.61Å; R600-V603 PolarHBondContact O-N 3.47Å
604	G	31.4	Very low	57.4	Low	119 Å²	119	117.9 Å²	117.9	100%	1.227	60%	0.602	S	S	*	*			trans	-98.4	0	164.7	0	0	0	0	0	110.9	R600	R600-G604 PolarHBondContact O-N 3.45Å

Retrieved 604 of 604 residues in 1182 ms (Link to these results)

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