A0A077Z7C2_TRITR Loading...

Adenylyl cyclase-associated protein

AlphaFold DB , UniProt , Accession A0A077Z7C2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 580 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	47.9	Very low	62.8	Low	207 Å²	207	101.3 Å²	101.3	100%	1.02	62%	0.617	S	S	*	*				0	-39	0	-68.3	-147.5	-85.9	0	0	113.4	G3 T4	M1-G3 PolarHBondContact O-N 2.85Å; M1-T4 PolarHBondContact O-OG1 3.08Å
2	A	48.2	Very low	63.9	Low	86 Å²	86	105.3 Å²	105.3	71%	0.711	61%	0.613	S	S	*	*	H	α-helix	trans	-63.3	-37.6	177.9	0	0	0	0	0	114.6	T4 Q5 A6	A2-T4 PolarHBondContact O-N 2.92Å; A2-Q5 PolarHBondContact O-N 2.76Å; A2-A6 PolarHBondContact O-N 2.9Å
3	G	50	Low	65.2	Low	63 Å²	63	102.1 Å²	102.1	65%	0.649	60%	0.599	S	S	*	*	H	α-helix	trans	-67.4	-30.3	-179.3	0	0	0	0	0	115	M1 G7	M1-G3 PolarHBondContact O-N 2.85Å; G3-G7 PolarHBondContact O-N 3.26Å
4	T	61.5	Low	65.8	Low	111 Å²	111	98.7 Å²	98.7	68%	0.681	58%	0.583	S	S	*	*	H	α-helix	trans	-76.6	-32.1	178.5	39.6	0	0	0	0	112.4	M1 A2 L8	M1-T4 PolarHBondContact O-OG1 3.08Å; A2-T4 PolarHBondContact O-N 2.92Å; T4-L8 PolarHBondContact O-N 2.82Å
5	Q	62.2	Low	66.2	Low	137 Å²	137	100.3 Å²	100.3	64%	0.64	59%	0.587	S	S	*	*	H	α-helix	trans	-74.5	-38.8	178.8	-166.3	167.1	-10	0	0	111.8	A2 G7 L8 E9	A2-Q5 PolarHBondContact O-N 2.76Å; Q5-G7 VanDerWaalsContact C-N 3.35Å; Q5-G7 PolarHBondContact O-N 2.81Å; Q5-L8 PolarHBondContact O-N 3.1Å; Q5-E9 PolarHBondContact O-N 3.1Å
6	A	68.2	Low	67	Low	65 Å²	65	97.7 Å²	97.7	54%	0.537	58%	0.58	S	S	.	*	H	α-helix	trans	-62.5	-39.4	174.9	0	0	0	0	0	112.6	A2 F10	A2-A6 PolarHBondContact O-N 2.9Å; A6-F10 WeakPolarHBondContact O-CB 3.32Å; A6-F10 PolarHBondContact O-N 3.11Å
7	G	59.9	Low	67.7	Low	44 Å²	44	97.1 Å²	97.1	45%	0.454	57%	0.574	S	S	.	*	H	α-helix	trans	-65.7	-36.4	176	0	0	0	0	0	113.4	G3 Q5 A11	G3-G7 PolarHBondContact O-N 3.26Å; Q5-G7 VanDerWaalsContact C-N 3.35Å; Q5-G7 PolarHBondContact O-N 2.81Å; G7-A11 PolarHBondContact O-N 2.79Å; G7-A11 VanDerWaalsContact O-N 3.1Å
8	L	72.5	Confident	67.9	Low	99 Å²	99	96 Å²	96	52%	0.518	57%	0.568	S	S	.	*	H	α-helix	trans	-72.2	-40.2	178.8	-163.9	72.8	0	0	0	112.1	T4 Q5 A11 R12	T4-L8 PolarHBondContact O-N 2.82Å; Q5-L8 PolarHBondContact O-N 3.1Å; L8-A11 PolarHBondContact O-N 3.36Å; L8-R12 WeakPolarHBondContact O-CG 3.25Å; L8-R12 PolarHBondContact O-N 3.21Å
9	E	75.6	Confident	68.2	Low	98 Å²	98	94.5 Å²	94.5	46%	0.458	56%	0.559	S	S	.	*	H	α-helix	trans	-65.9	-38.5	175.2	-72.6	-59.6	137.2	0	0	111.7	Q5 R12 S13	Q5-E9 PolarHBondContact O-N 3.1Å; E9-R12 PolarHBondContact O-N 2.93Å; E9-R12 IonicContact OE1-NH1 3.09Å; E9-R12 PolarHBondContact OE1-NH1 3.48Å; E9-R12 VanDerWaalsContact OE1-NH1 3.1Å; E9-S13 PolarHBondContact O-N 3.34Å
10	F	76.9	Confident	69	Low	147 Å²	147	96.4 Å²	96.4	65%	0.645	56%	0.563	S	S	*	*	H	α-helix	trans	-62	-44.7	173.4	-174.3	-99.8	0	0	0	112.1	A6 R12 S13 C14	A6-F10 WeakPolarHBondContact O-CB 3.32Å; A6-F10 PolarHBondContact O-N 3.11Å; F10-R12 VanDerWaalsContact C-N 3.33Å; F10-R12 PolarHBondContact O-N 2.79Å; F10-S13 PolarHBondContact O-N 2.82Å; F10-C14 PolarHBondContact O-N 3.45Å; F10-C14 PolarHBondContact O-SG 3.1Å
11	A	68.1	Low	69.6	Low	57 Å²	57	101.1 Å²	101.1	47%	0.471	57%	0.571	S	S	.	*	H	α-helix	trans	-63.3	-38	177	0	0	0	0	0	112.6	G7 L8 C14 L15	G7-A11 PolarHBondContact O-N 2.79Å; G7-A11 VanDerWaalsContact O-N 3.1Å; L8-A11 PolarHBondContact O-N 3.36Å; A11-C14 PolarHBondContact O-N 2.94Å; A11-L15 PolarHBondContact O-N 3.31Å
12	R	75.2	Confident	70.5	Confident	150 Å²	150	96.3 Å²	96.3	57%	0.566	55%	0.549	S	S	*	.	H	α-helix	trans	-64.5	-43.3	174.4	-77.6	177.3	172.5	171.6	-5.6	112.1	L8 E9 F10 L15 A16	L8-R12 WeakPolarHBondContact O-CG 3.25Å; L8-R12 PolarHBondContact O-N 3.21Å; E9-R12 PolarHBondContact O-N 2.93Å; E9-R12 IonicContact OE1-NH1 3.09Å; E9-R12 PolarHBondContact OE1-NH1 3.48Å; E9-R12 VanDerWaalsContact OE1-NH1 3.1Å; F10-R12 VanDerWaalsContact C-N 3.33Å; F10-R12 PolarHBondContact O-N 2.79Å; R12-L15 PolarHBondContact O-N 3.05Å; R12-A16 PolarHBondContact O-N 2.9Å
13	S	81.3	Confident	72.3	Confident	63 Å²	63	98.1 Å²	98.1	44%	0.441	54%	0.543	S	S	.	.	H	α-helix	trans	-60.3	-47.3	175.7	-171.1	0	0	0	0	111.4	E9 F10 L15 A16 D17	E9-S13 PolarHBondContact O-N 3.34Å; F10-S13 PolarHBondContact O-N 2.82Å; S13-L15 VanDerWaalsContact C-N 3.3Å; S13-L15 PolarHBondContact O-N 2.97Å; S13-A16 PolarHBondContact O-N 2.84Å; S13-D17 PolarHBondContact O-N 2.84Å; S13-D17 VanDerWaalsContact O-N 3.08Å
14	C	73.6	Confident	73.6	Confident	55 Å²	55	99.6 Å²	99.6	37%	0.372	54%	0.536	S	S	.	.	H	α-helix	trans	-63.3	-35.8	178.1	-69.5	0	0	0	0	112.7	F10 A11 V18	F10-C14 PolarHBondContact O-N 3.45Å; F10-C14 PolarHBondContact O-SG 3.1Å; A11-C14 PolarHBondContact O-N 2.94Å; C14-V18 VanDerWaalsContact O-CG2 3.31Å; C14-V18 WeakPolarHBondContact O-CG2 3.35Å; C14-V18 PolarHBondContact O-N 2.85Å
15	L	71.4	Confident	74.1	Confident	123 Å²	123	96.5 Å²	96.5	64%	0.644	52%	0.521	S	S	*	.	H	α-helix	trans	-68	-40.9	177.3	-159.7	81.2	0	0	0	111.3	A11 R12 S13 V18 V19	A11-L15 PolarHBondContact O-N 3.31Å; R12-L15 PolarHBondContact O-N 3.05Å; S13-L15 VanDerWaalsContact C-N 3.3Å; S13-L15 PolarHBondContact O-N 2.97Å; L15-V18 PolarHBondContact O-N 2.9Å; L15-V19 WeakPolarHBondContact O-CG2 3.2Å; L15-V19 PolarHBondContact O-N 3.22Å
16	A	79.2	Confident	74.7	Confident	58 Å²	58	93.5 Å²	93.5	48%	0.479	51%	0.512	S	S	.	.	H	α-helix	trans	-60.9	-45.7	176.6	0	0	0	0	0	111.7	R12 S13 V18 V19 E20	R12-A16 PolarHBondContact O-N 2.9Å; S13-A16 PolarHBondContact O-N 2.84Å; A16-V18 VanDerWaalsContact C-N 3.28Å; A16-V18 PolarHBondContact O-N 2.8Å; A16-V19 PolarHBondContact O-N 2.89Å; A16-V19 VanDerWaalsContact O-N 3.16Å; A16-E20 PolarHBondContact O-N 2.86Å
17	D	79.4	Confident	74.9	Confident	87 Å²	87	93.4 Å²	93.4	47%	0.465	51%	0.507	S	S	.	.	H	α-helix	trans	-60.7	-36.5	177.4	-70.1	-7.4	0	0	0	112.4	S13 R21	S13-D17 PolarHBondContact O-N 2.84Å; S13-D17 VanDerWaalsContact O-N 3.08Å; D17-R21 WeakPolarHBondContact O-CB 3.49Å; D17-R21 VanDerWaalsContact O-CG 3.27Å; D17-R21 WeakPolarHBondContact O-CG 3.24Å; D17-R21 PolarHBondContact O-N 2.82Å
18	V	70.5	Confident	75.5	Confident	78 Å²	78	99.1 Å²	99.1	47%	0.473	52%	0.515	S	S	.	.	H	α-helix	trans	-70.4	-39.6	177.8	171.8	0	0	0	0	111.1	C14 L15 A16 L22	C14-V18 VanDerWaalsContact O-CG2 3.31Å; C14-V18 WeakPolarHBondContact O-CG2 3.35Å; C14-V18 PolarHBondContact O-N 2.85Å; L15-V18 PolarHBondContact O-N 2.9Å; A16-V18 VanDerWaalsContact C-N 3.28Å; A16-V18 PolarHBondContact O-N 2.8Å; V18-L22 HydrophobicContact CG1-CD1 4.09Å; V18-L22 PolarHBondContact O-N 2.8Å; V18-L22 VanDerWaalsContact O-N 3.1Å
19	V	75.2	Confident	75.2	Confident	67 Å²	67	100.1 Å²	100.1	41%	0.406	52%	0.52	S	S	.	.	H	α-helix	trans	-66	-46.1	177.5	172.5	0	0	0	0	110.7	L15 A16 R21 L22 E23	L15-V19 WeakPolarHBondContact O-CG2 3.2Å; L15-V19 PolarHBondContact O-N 3.22Å; A16-V19 PolarHBondContact O-N 2.89Å; A16-V19 VanDerWaalsContact O-N 3.16Å; V19-R21 VanDerWaalsContact C-N 3.32Å; V19-R21 PolarHBondContact O-N 3.02Å; V19-L22 WeakPolarHBondContact O-CB 3.4Å; V19-L22 PolarHBondContact O-N 3.05Å; V19-E23 HydrophobicContact CG1-CG 4.5Å; V19-E23 WeakPolarHBondContact O-CG 3.48Å; V19-E23 PolarHBondContact O-N 3.01Å
20	E	83.2	Confident	75.2	Confident	133 Å²	133	100.5 Å²	100.5	62%	0.621	52%	0.522	S	S	*	.	H	α-helix	trans	-60.1	-42	178.3	-173	178.1	-177.9	0	0	111.7	A16 L22 E23 D24	A16-E20 PolarHBondContact O-N 2.86Å; E20-L22 VanDerWaalsContact C-N 3.3Å; E20-L22 PolarHBondContact O-N 3.39Å; E20-E23 PolarHBondContact O-N 3.05Å; E20-D24 PolarHBondContact O-N 2.94Å
21	R	81.4	Confident	74.6	Confident	195 Å²	195	98.1 Å²	98.1	74%	0.736	52%	0.52	S	S	*	.	H	α-helix	trans	-65	-32.8	175.5	-74.4	176.5	64.6	-171.9	-0.8	113.2	D17 V19 A25	D17-R21 WeakPolarHBondContact O-CB 3.49Å; D17-R21 VanDerWaalsContact O-CG 3.27Å; D17-R21 WeakPolarHBondContact O-CG 3.24Å; D17-R21 PolarHBondContact O-N 2.82Å; V19-R21 VanDerWaalsContact C-N 3.32Å; V19-R21 PolarHBondContact O-N 3.02Å; R21-A25 WeakPolarHBondContact O-CB 3.37Å; R21-A25 PolarHBondContact O-N 2.92Å; R21-A25 VanDerWaalsContact O-N 3.16Å
22	L	67.4	Low	74	Confident	107 Å²	107	101.1 Å²	101.1	56%	0.56	53%	0.527	S	S	*	.	H	α-helix	trans	-70.2	-42.2	175.2	-84.6	160.7	0	0	0	111	V18 V19 E20 A25 V26	V18-L22 HydrophobicContact CG1-CD1 4.09Å; V18-L22 PolarHBondContact O-N 2.8Å; V18-L22 VanDerWaalsContact O-N 3.1Å; V19-L22 WeakPolarHBondContact O-CB 3.4Å; V19-L22 PolarHBondContact O-N 3.05Å; E20-L22 VanDerWaalsContact C-N 3.3Å; E20-L22 PolarHBondContact O-N 3.39Å; L22-A25 PolarHBondContact O-N 3.29Å; L22-V26 WeakPolarHBondContact O-CG2 3.37Å; L22-V26 PolarHBondContact O-N 3.21Å
23	E	85.3	Confident	73	Confident	124 Å²	124	97.6 Å²	97.6	58%	0.579	53%	0.531	S	S	*	.	H	α-helix	trans	-64.8	-39.6	177.6	-70.4	179.4	166.8	0	0	112.3	V19 E20 V26 S27	V19-E23 HydrophobicContact CG1-CG 4.5Å; V19-E23 WeakPolarHBondContact O-CG 3.48Å; V19-E23 PolarHBondContact O-N 3.01Å; E20-E23 PolarHBondContact O-N 3.05Å; E23-V26 PolarHBondContact O-N 3.25Å; E23-S27 WeakPolarHBondContact O-CB 3.43Å; E23-S27 PolarHBondContact O-N 3.14Å; E23-S27 PolarHBondContact O-OG 2.66Å
24	D	78.7	Confident	71.2	Confident	94 Å²	94	104.6 Å²	104.6	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-64.8	-42.5	173.4	-175.6	58.4	0	0	0	111.7	E20 V26 S27 R28	E20-D24 PolarHBondContact O-N 2.94Å; D24-V26 PolarHBondContact O-N 3.47Å; D24-S27 PolarHBondContact O-N 3.29Å; D24-R28 VanDerWaalsContact O-CG 3.3Å; D24-R28 WeakPolarHBondContact O-CG 3.29Å; D24-R28 PolarHBondContact O-N 3.33Å
25	A	70.5	Confident	69.9	Low	46 Å²	46	106.3 Å²	106.3	38%	0.38	56%	0.56	S	S	.	*	H	α-helix	trans	-62.6	-41.5	177.5	0	0	0	0	0	112.3	R21 L22 R28 L29	R21-A25 WeakPolarHBondContact O-CB 3.37Å; R21-A25 PolarHBondContact O-N 2.92Å; R21-A25 VanDerWaalsContact O-N 3.16Å; L22-A25 PolarHBondContact O-N 3.29Å; A25-R28 PolarHBondContact O-N 3.04Å; A25-L29 PolarHBondContact O-N 3.02Å; A25-L29 VanDerWaalsContact O-N 3.1Å
26	V	74.7	Confident	68.5	Low	74 Å²	74	103.7 Å²	103.7	45%	0.448	56%	0.563	S	S	.	*	H	α-helix	trans	-65	-45.8	175.3	172.2	0	0	0	0	110.5	L22 E23 D24 R28 L29 E30	L22-V26 WeakPolarHBondContact O-CG2 3.37Å; L22-V26 PolarHBondContact O-N 3.21Å; E23-V26 PolarHBondContact O-N 3.25Å; D24-V26 PolarHBondContact O-N 3.47Å; V26-R28 VanDerWaalsContact C-N 3.28Å; V26-R28 PolarHBondContact O-N 2.6Å; V26-L29 WeakPolarHBondContact O-CB 3.42Å; V26-L29 PolarHBondContact O-N 2.99Å; V26-L29 VanDerWaalsContact O-N 3.07Å; V26-E30 HydrophobicContact CG1-CG 4.42Å; V26-E30 PolarHBondContact O-N 3.4Å
27	S	73	Confident	66.2	Low	62 Å²	62	103.9 Å²	103.9	43%	0.434	57%	0.571	S	S	.	*	H	α-helix	trans	-59	-39.4	178.3	-61.6	0	0	0	0	112.4	E23 D24 E30 T31	E23-S27 WeakPolarHBondContact O-CB 3.43Å; E23-S27 PolarHBondContact O-N 3.14Å; E23-S27 PolarHBondContact O-OG 2.66Å; D24-S27 PolarHBondContact O-N 3.29Å; S27-E30 PolarHBondContact O-N 3.27Å; S27-T31 WeakPolarHBondContact O-CB 3.23Å; S27-T31 PolarHBondContact O-N 3.13Å; S27-T31 PolarHBondContact O-OG1 3.29Å
28	R	72.7	Confident	63.9	Low	164 Å²	164	105.3 Å²	105.3	62%	0.619	59%	0.587	S	S	*	*	H	α-helix	trans	-66.8	-39.9	175.1	-70.8	173.4	67.1	-177.9	2.3	112.4	D24 A25 V26 T31 L32	D24-R28 VanDerWaalsContact O-CG 3.3Å; D24-R28 WeakPolarHBondContact O-CG 3.29Å; D24-R28 PolarHBondContact O-N 3.33Å; A25-R28 PolarHBondContact O-N 3.04Å; V26-R28 VanDerWaalsContact C-N 3.28Å; V26-R28 PolarHBondContact O-N 2.6Å; R28-T31 PolarHBondContact O-N 2.93Å; R28-L32 WeakPolarHBondContact O-CG 3.48Å; R28-L32 PolarHBondContact O-N 3.44Å
29	L	66.4	Low	62	Low	120 Å²	120	110 Å²	110	63%	0.628	60%	0.604	S	S	*	*	H	α-helix	trans	-64.4	-42.9	175.4	-92.6	153.8	0	0	0	111.8	A25 V26 T31 L32 A33	A25-L29 PolarHBondContact O-N 3.02Å; A25-L29 VanDerWaalsContact O-N 3.1Å; V26-L29 WeakPolarHBondContact O-CB 3.42Å; V26-L29 PolarHBondContact O-N 2.99Å; V26-L29 VanDerWaalsContact O-N 3.07Å; L29-T31 VanDerWaalsContact C-N 3.31Å; L29-T31 PolarHBondContact O-N 3Å; L29-L32 PolarHBondContact O-N 3.36Å; L29-A33 PolarHBondContact O-N 3.35Å
30	E	75.1	Confident	60.3	Low	106 Å²	106	113 Å²	113	50%	0.495	63%	0.625	S	S	.	*	H	α-helix	trans	-64.7	-36.9	175.3	-69.9	-172.9	175.1	0	0	112	V26 S27 L32 A33 R34	V26-E30 HydrophobicContact CG1-CG 4.42Å; V26-E30 PolarHBondContact O-N 3.4Å; S27-E30 PolarHBondContact O-N 3.27Å; E30-L32 VanDerWaalsContact C-N 3.35Å; E30-A33 PolarHBondContact O-N 2.91Å; E30-R34 WeakPolarHBondContact O-CG 3.17Å; E30-R34 PolarHBondContact O-N 2.9Å; E30-R34 VanDerWaalsContact O-N 3.07Å
31	T	64	Low	57.9	Low	97 Å²	97	112.6 Å²	112.6	60%	0.595	63%	0.632	S	S	*	*	H	α-helix	trans	-65.5	-39.2	175.9	-52.4	0	0	0	0	111.5	S27 R28 L29 R34 S35	S27-T31 WeakPolarHBondContact O-CB 3.23Å; S27-T31 PolarHBondContact O-N 3.13Å; S27-T31 PolarHBondContact O-OG1 3.29Å; R28-T31 PolarHBondContact O-N 2.93Å; L29-T31 VanDerWaalsContact C-N 3.31Å; L29-T31 PolarHBondContact O-N 3Å; T31-R34 PolarHBondContact O-N 2.85Å; T31-S35 PolarHBondContact O-N 2.84Å
32	L	56.2	Low	55.6	Low	120 Å²	120	110.1 Å²	110.1	63%	0.628	64%	0.638	S	S	*	*	H	α-helix	trans	-68.7	-36.2	174.9	-73.4	167	0	0	0	112.3	R28 L29 E30 R34 S35	R28-L32 WeakPolarHBondContact O-CG 3.48Å; R28-L32 PolarHBondContact O-N 3.44Å; L29-L32 PolarHBondContact O-N 3.36Å; E30-L32 VanDerWaalsContact C-N 3.35Å; L32-R34 VanDerWaalsContact C-N 3.32Å; L32-R34 PolarHBondContact O-N 2.95Å; L32-S35 PolarHBondContact O-N 2.86Å; L32-S35 PolarHBondContact O-OG 2.83Å; L32-S35 VanDerWaalsContact O-OG 3.11Å
33	A	54	Low	54.1	Low	77 Å²	77	113.5 Å²	113.5	64%	0.636	65%	0.652	S	S	*	*	H	α-helix	trans	-66.1	-35.4	175.7	0	0	0	0	0	111.9	L29 E30	L29-A33 PolarHBondContact O-N 3.35Å; E30-A33 PolarHBondContact O-N 2.91Å
34	R	43.8	Very low	51.7	Low	209 Å²	209	118.6 Å²	118.6	79%	0.789	67%	0.665	S	S	*	*	H	α-helix	trans	-74.1	-22.3	178.7	-71.2	-179.7	-173.3	-165.6	5.3	114.2	E30 T31 L32	E30-R34 WeakPolarHBondContact O-CG 3.17Å; E30-R34 PolarHBondContact O-N 2.9Å; E30-R34 VanDerWaalsContact O-N 3.07Å; T31-R34 PolarHBondContact O-N 2.85Å; L32-R34 VanDerWaalsContact C-N 3.32Å; L32-R34 PolarHBondContact O-N 2.95Å
35	S	47.1	Very low	50.3	Low	91 Å²	91	119 Å²	119	64%	0.636	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-6.7	180	62.4	0	0	0	0	114.1	T31 L32 G37	T31-S35 PolarHBondContact O-N 2.84Å; L32-S35 PolarHBondContact O-N 2.86Å; L32-S35 PolarHBondContact O-OG 2.83Å; L32-S35 VanDerWaalsContact O-OG 3.11Å; S35-G37 VanDerWaalsContact C-N 3.25Å; S35-G37 PolarHBondContact O-N 2.75Å
36	G	40.7	Very low	49.2	Very low	69 Å²	69	121.6 Å²	121.6	71%	0.711	68%	0.677	S	S	*	*			trans	-77.9	67.2	171.7	0	0	0	0	0	112.6
37	G	30.3	Very low	47.9	Very low	62 Å²	62	121.7 Å²	121.7	64%	0.639	69%	0.685	S	S	*	*			trans	-77	123.6	177.9	0	0	0	0	0	114.2	S35	S35-G37 VanDerWaalsContact C-N 3.25Å; S35-G37 PolarHBondContact O-N 2.75Å
38	S	32.4	Very low	46.9	Very low	117 Å²	117	121.6 Å²	121.6	82%	0.818	69%	0.688	S	S	*	*			trans	59.1	108.4	144.4	65.1	0	0	0	0	121.3
39	E	30.7	Very low	46.6	Very low	176 Å²	176	115.7 Å²	115.7	82%	0.822	67%	0.667	S	S	*	*				-154.6	131.3	129	-115	177.1	-173.4	0	0	109.7	T41	E39-T41 PolarHBondContact O-N 2.88Å; E39-T41 VanDerWaalsContact O-N 3.08Å
40	P	39.4	Very low	47.1	Very low	131 Å²	131	112.8 Å²	112.8	85%	0.851	66%	0.656	S	S	*	*			trans	-84.5	91.6	-168.6	33.4	-31.1	0	0	0	110.1
41	T	33	Very low	47.6	Very low	124 Å²	124	111.7 Å²	111.7	76%	0.761	65%	0.65	S	S	*	*			trans	-96.7	118.9	165.7	29.2	0	0	0	0	108.8	E39 E43	E39-T41 PolarHBondContact O-N 2.88Å; E39-T41 VanDerWaalsContact O-N 3.08Å; T41-E43 PolarHBondContact O-N 2.83Å
42	T	32.3	Very low	48.8	Very low	142 Å²	142	107.7 Å²	107.7	87%	0.871	63%	0.625	S	S	*	*			trans	-28.8	99.1	180	-50.8	0	0	0	0	113.1	R44	T42-R44 PolarHBondContact O-N 2.88Å
43	E	35.4	Very low	50.4	Low	179 Å²	179	103 Å²	103	84%	0.836	60%	0.601	S	S	*	*			trans	-64.6	96.4	178.7	-69	178.6	161.4	0	0	110.3	T41	T41-E43 PolarHBondContact O-N 2.83Å
44	R	34.8	Very low	52.2	Low	231 Å²	231	103.1 Å²	103.1	87%	0.872	59%	0.589	S	S	*	*			trans	-146.9	54.2	163.5	-152.6	-176.3	-171.3	-168.7	2.3	112.2	T42	T42-R44 PolarHBondContact O-N 2.88Å
45	E	49.1	Very low	54.5	Low	103 Å²	103	94.6 Å²	94.6	48%	0.481	56%	0.559	S	S	.	*	S	Bend	trans	-156.6	-8.6	162.8	-118.8	173.4	-166.3	0	0	119.3	A47 L241	E45-A47 PolarHBondContact O-N 2.85Å; E45-L241 VanDerWaalsContact OE2-CD1 3.25Å; E45-L241 WeakPolarHBondContact OE2-CD1 3.24Å
46	P	47.4	Very low	56.7	Low	100 Å²	100	90.3 Å²	90.3	65%	0.649	53%	0.529	S	S	*	.	H	α-helix	trans	-61.2	-31.3	169.2	-20	30.3	0	0	0	112.7	A48 S50	P46-A48 PolarHBondContact O-N 3.06Å; P46-S50 PolarHBondContact O-N 2.94Å; P46-S50 VanDerWaalsContact O-N 3.14Å
47	A	48.9	Very low	59.3	Low	75 Å²	75	89.6 Å²	89.6	62%	0.62	51%	0.509	S	S	*	.	H	α-helix	trans	-66.5	-38.2	-171.4	0	0	0	0	0	114	E45 K51	E45-A47 PolarHBondContact O-N 2.85Å; A47-K51 PolarHBondContact O-N 3.17Å
48	A	52.1	Low	62.4	Low	60 Å²	60	93 Å²	93	50%	0.496	51%	0.508	S	S	.	.	H	α-helix	trans	-68.6	-41.4	-175.1	0	0	0	0	0	111.8	P46 K51 V52	P46-A48 PolarHBondContact O-N 3.06Å; A48-K51 WeakPolarHBondContact O-CB 3.32Å; A48-K51 PolarHBondContact O-N 3.16Å; A48-V52 WeakPolarHBondContact O-CG2 3.34Å; A48-V52 PolarHBondContact O-N 2.85Å; A48-V52 VanDerWaalsContact O-N 3.14Å
49	Y	65.3	Low	65.3	Low	41 Å²	41	89.7 Å²	89.7	16%	0.161	48%	0.483	C	S	.	.	H	α-helix	trans	-77.9	-31.1	178.7	-90.4	-68.8	0	0	0	113.4	K51 V52 V53 A100 S237 W238 N239	Y49-K51 PolarHBondContact O-N 3.33Å; Y49-V52 HydrophobicContact CD1-CB 4.47Å; Y49-V52 HydrophobicContact CD1-CG2 4.3Å; Y49-V52 PolarHBondContact O-N 2.92Å; Y49-V53 PolarHBondContact O-N 3.06Å; Y49-A100 HydrophobicContact CD1-CB 3.29Å; Y49-A100 HydrophobicContact CE1-CB 4.07Å; Y49-A100 HydrophobicContact CG-CB 3.9Å; Y49-S237 VanDerWaalsContact OH-C 3.31Å; Y49-S237 PolarHBondContact OH-O 3.33Å; Y49-W238 WeakPolarHBondContact OH-CA 3.42Å; Y49-W238 PolarHBondContact OH-O 3.01Å; Y49-W238 VanDerWaalsContact OH-O 3.05Å; Y49-N239 HydrophobicContact CD2-CB 4.37Å; Y49-N239 HydrophobicContact CE2-CB 3.74Å; Y49-N239 WeakPolarHBondContact OH-CA 3.13Å; Y49-N239 PolarHBondContact OH-N 3.5Å
50	S	77.9	Confident	68.5	Low	59 Å²	59	81.3 Å²	81.3	41%	0.413	44%	0.444	S	S	.	.	H	α-helix	trans	-55.2	-44.6	165.4	-161.9	0	0	0	0	110	P46 V52 V53 E54	P46-S50 PolarHBondContact O-N 2.94Å; P46-S50 VanDerWaalsContact O-N 3.14Å; S50-V52 PolarHBondContact O-N 2.92Å; S50-V53 PolarHBondContact O-N 3.46Å; S50-E54 WeakPolarHBondContact O-CB 3.41Å; S50-E54 VanDerWaalsContact O-CG 3.26Å; S50-E54 WeakPolarHBondContact O-CG 3.33Å; S50-E54 PolarHBondContact O-N 3.5Å; S50-E54 PolarHBondContact OG-OE1 3.45Å
51	K	85	Confident	71.3	Confident	82 Å²	82	75.6 Å²	75.6	36%	0.357	41%	0.406	S	S	.	.	H	α-helix	trans	-65.3	-36.1	179.4	-166.5	52.4	170.6	154.8	0	113.8	A47 A48 Y49 V53 E54 D55 E58	A47-K51 PolarHBondContact O-N 3.17Å; A48-K51 WeakPolarHBondContact O-CB 3.32Å; A48-K51 PolarHBondContact O-N 3.16Å; Y49-K51 PolarHBondContact O-N 3.33Å; K51-V53 VanDerWaalsContact C-N 3.28Å; K51-V53 PolarHBondContact O-N 3.46Å; K51-E54 HydrophobicContact CD-CB 4.39Å; K51-E54 PolarHBondContact O-N 2.83Å; K51-D55 WeakPolarHBondContact CD-OD1 3.32Å; K51-D55 WeakPolarHBondContact CE-OD1 3.46Å; K51-D55 IonicContact NZ-OD1 2.79Å; K51-D55 PolarHBondContact NZ-OD1 3.08Å; K51-D55 VanDerWaalsContact O-CB 3.27Å; K51-D55 WeakPolarHBondContact O-CB 3.43Å; K51-D55 VanDerWaalsContact O-CG 3.25Å; K51-D55 PolarHBondContact O-N 3.35Å; K51-E58 IonicContact NZ-OE2 2.8Å
52	V	88.4	Confident	74.3	Confident	13 Å²	13	72.4 Å²	72.4	8%	0.079	39%	0.387	C	S	.	.	H	α-helix	trans	-59.8	-39.5	175	173.8	0	0	0	0	111.4	A48 Y49 S50 F56 I96 Y227	A48-V52 WeakPolarHBondContact O-CG2 3.34Å; A48-V52 PolarHBondContact O-N 2.85Å; A48-V52 VanDerWaalsContact O-N 3.14Å; Y49-V52 HydrophobicContact CD1-CB 4.47Å; Y49-V52 HydrophobicContact CD1-CG2 4.3Å; Y49-V52 PolarHBondContact O-N 2.92Å; S50-V52 PolarHBondContact O-N 2.92Å; V52-F56 PolarHBondContact O-N 2.92Å; V52-I96 HydrophobicContact CG1-CG2 3.9Å; V52-Y227 WeakPolarHBondContact CG1-OH 3.28Å; V52-Y227 VanDerWaalsContact O-CE2 3.23Å; V52-Y227 WeakPolarHBondContact O-CE2 3.48Å; V52-Y227 PolarHBondContact O-OH 3.47Å
53	V	90.2	Very high	77.4	Confident	21 Å²	21	66.3 Å²	66.3	13%	0.127	35%	0.35	C	S	.	.	H	α-helix	trans	-77.7	-45.6	177.8	177.7	0	0	0	0	111	Y49 S50 K51 D55 F56 D57 I96 C97	Y49-V53 PolarHBondContact O-N 3.06Å; S50-V53 PolarHBondContact O-N 3.46Å; K51-V53 VanDerWaalsContact C-N 3.28Å; K51-V53 PolarHBondContact O-N 3.46Å; V53-D55 VanDerWaalsContact C-N 3.33Å; V53-D55 PolarHBondContact O-N 3.45Å; V53-F56 WeakPolarHBondContact O-CB 3.48Å; V53-F56 PolarHBondContact O-N 3.16Å; V53-F56 VanDerWaalsContact O-N 3.08Å; V53-D57 PolarHBondContact O-N 2.86Å; V53-I96 HydrophobicContact CG2-CG2 4.17Å; V53-C97 WeakPolarHBondContact CG1-SG 3.47Å; V53-C97 HydrophobicContact CG2-CB 4.48Å
54	E	91.4	Very high	80.4	Confident	80 Å²	80	57.8 Å²	57.8	37%	0.374	31%	0.31	S	S	.	.	H	α-helix	trans	-56.2	-46.7	177	-73.3	163.1	-153.5	0	0	111.5	S50 K51 F56 D57 E58	S50-E54 WeakPolarHBondContact O-CB 3.41Å; S50-E54 VanDerWaalsContact O-CG 3.26Å; S50-E54 WeakPolarHBondContact O-CG 3.33Å; S50-E54 PolarHBondContact O-N 3.5Å; S50-E54 PolarHBondContact OG-OE1 3.45Å; K51-E54 HydrophobicContact CD-CB 4.39Å; K51-E54 PolarHBondContact O-N 2.83Å; E54-F56 VanDerWaalsContact C-N 3.26Å; E54-F56 PolarHBondContact O-N 3.49Å; E54-D57 CarbonylContact O-C 3.54Å; E54-D57 PolarHBondContact O-N 2.93Å; E54-D57 VanDerWaalsContact O-N 3.14Å; E54-E58 WeakPolarHBondContact O-CB 3.44Å; E54-E58 WeakPolarHBondContact O-CG 3.48Å; E54-E58 PolarHBondContact O-N 2.75Å
55	D	92.4	Very high	83.4	Confident	31 Å²	31	51.3 Å²	51.3	17%	0.166	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-34.2	178.1	-75.8	-4.9	0	0	0	111.6	K51 V53 T59 Y227 H231	K51-D55 WeakPolarHBondContact CD-OD1 3.32Å; K51-D55 WeakPolarHBondContact CE-OD1 3.46Å; K51-D55 IonicContact NZ-OD1 2.79Å; K51-D55 PolarHBondContact NZ-OD1 3.08Å; K51-D55 VanDerWaalsContact O-CB 3.27Å; K51-D55 WeakPolarHBondContact O-CB 3.43Å; K51-D55 VanDerWaalsContact O-CG 3.25Å; K51-D55 PolarHBondContact O-N 3.35Å; V53-D55 VanDerWaalsContact C-N 3.33Å; V53-D55 PolarHBondContact O-N 3.45Å; D55-T59 VanDerWaalsContact O-CB 3.28Å; D55-T59 WeakPolarHBondContact O-CB 3.38Å; D55-T59 WeakPolarHBondContact O-CG2 3.27Å; D55-T59 PolarHBondContact O-N 2.7Å; D55-T59 PolarHBondContact O-OG1 2.86Å; D55-Y227 HydrophobicContact CB-CD2 4.36Å; D55-Y227 HydrophobicContact CB-CE2 4.18Å; D55-H231 IonicContact OD2-CE1 2.9Å; D55-H231 PolarHBondContact OD2-CE1 3.04Å; D55-H231 VanDerWaalsContact OD2-CE1 3.28Å; D55-H231 IonicContact OD2-NE2 2.75Å; D55-H231 PolarHBondContact OD2-NE2 3.03Å
56	F	94.4	Very high	85.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.8	-42.8	174.9	-169.8	-90.9	0	0	0	111.3	V52 V53 E54 E58 V60 M61 F89 Q92 R93 I96 L224 Y227	V52-F56 PolarHBondContact O-N 2.92Å; V53-F56 WeakPolarHBondContact O-CB 3.48Å; V53-F56 PolarHBondContact O-N 3.16Å; V53-F56 VanDerWaalsContact O-N 3.08Å; E54-F56 VanDerWaalsContact C-N 3.26Å; E54-F56 PolarHBondContact O-N 3.49Å; F56-E58 VanDerWaalsContact C-N 3.33Å; F56-V60 HydrophobicContact CD1-CB 4.45Å; F56-V60 HydrophobicContact CD2-CB 3.99Å; F56-V60 HydrophobicContact CD2-CG2 3.79Å; F56-V60 HydrophobicContact CE1-CB 4.3Å; F56-V60 HydrophobicContact CE1-CG1 4.36Å; F56-V60 HydrophobicContact CE2-CB 3.86Å; F56-V60 HydrophobicContact CE2-CG1 3.86Å; F56-V60 HydrophobicContact CE2-CG2 3.86Å; F56-V60 HydrophobicContact CG-CB 4.31Å; F56-V60 HydrophobicContact CG-CG2 4.43Å; F56-V60 HydrophobicContact CZ-CB 4.03Å; F56-V60 HydrophobicContact CZ-CG1 3.79Å; F56-V60 PolarHBondContact O-N 2.78Å; F56-M61 HydrophobicContact CD1-CG 3.87Å; F56-M61 HydrophobicContact CE1-CG 3.79Å; F56-M61 HydrophobicContact CE1-SD 3.87Å; F56-M61 PolarHBondContact O-N 3.01Å; F56-M61 VanDerWaalsContact O-N 3.13Å; F56-F89 HydrophobicContact CZ-CD1 4.16Å; F56-Q92 HydrophobicContact CZ-CG 4.41Å; F56-R93 HydrophobicContact CD1-CB 4Å; F56-R93 HydrophobicContact CD1-CG 3.94Å; F56-R93 HydrophobicContact CE1-CB 3.73Å; F56-R93 HydrophobicContact CE1-CG 4.19Å; F56-I96 HydrophobicContact CD2-CD1 3.56Å; F56-I96 HydrophobicContact CE2-CD1 3.62Å; F56-I96 HydrophobicContact CG-CD1 4.04Å; F56-I96 HydrophobicContact CZ-CD1 4.15Å; F56-L224 HydrophobicContact CE2-CD1 4.13Å; F56-Y227 HydrophobicContact CB-CD2 4.27Å; F56-Y227 HydrophobicContact CB-CE2 3.65Å; F56-Y227 AromaticContact CD2-CD1 3.88Å; F56-Y227 HydrophobicContact CD2-CD1 3.88Å; F56-Y227 HydrophobicContact CD2-CD2 4.28Å; F56-Y227 AromaticContact CD2-CE1 3.65Å; F56-Y227 HydrophobicContact CD2-CE1 3.65Å; F56-Y227 HydrophobicContact CD2-CE2 4.06Å; F56-Y227 HydrophobicContact CD2-CG 4.18Å; F56-Y227 AromaticContact CD2-CZ 3.72Å; F56-Y227 HydrophobicContact CE2-CD1 4.45Å; F56-Y227 HydrophobicContact CE2-CE1 4.38Å; F56-Y227 HydrophobicContact CG-CE2 4.38Å
57	D	94.8	Very high	88.1	Confident	55 Å²	55	47.4 Å²	47.4	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-68.8	-29.8	178	-74.2	-22.2	0	0	0	112.4	V53 E54 P62 R93	V53-D57 PolarHBondContact O-N 2.86Å; E54-D57 CarbonylContact O-C 3.54Å; E54-D57 PolarHBondContact O-N 2.93Å; E54-D57 VanDerWaalsContact O-N 3.14Å; D57-P62 WeakPolarHBondContact O-CD 3.49Å; D57-P62 WeakPolarHBondContact O-CG 3.44Å; D57-R93 WeakPolarHBondContact OD1-CD 3.38Å; D57-R93 IonicContact OD1-CZ 3.9Å; D57-R93 IonicContact OD1-NE 3.87Å; D57-R93 PolarHBondContact OD1-NE 3.19Å; D57-R93 IonicContact OD2-CZ 2.84Å; D57-R93 IonicContact OD2-NE 3.39Å; D57-R93 PolarHBondContact OD2-NE 3.28Å; D57-R93 VanDerWaalsContact OD2-NE 3.08Å; D57-R93 IonicContact OD2-NH2 3.08Å; D57-R93 PolarHBondContact OD2-NH2 3.22Å
58	E	94.8	Very high	90.4	Very high	132 Å²	132	45 Å²	45	62%	0.617	24%	0.238	S	C	*	.	H	α-helix	trans	-85.4	-29.7	177.5	-73.6	-179.2	173.9	0	0	113.6	K51 E54 F56 P62	K51-E58 IonicContact NZ-OE2 2.8Å; E54-E58 WeakPolarHBondContact O-CB 3.44Å; E54-E58 WeakPolarHBondContact O-CG 3.48Å; E54-E58 PolarHBondContact O-N 2.75Å; F56-E58 VanDerWaalsContact C-N 3.33Å; E58-P62 WeakPolarHBondContact O-CG 3.43Å
59	T	93.9	Very high	92.5	Very high	48 Å²	48	49 Å²	49	29%	0.294	24%	0.244	S	C	.	.	H	α-helix	trans	-106.2	-54.2	-173.5	63.2	0	0	0	0	113.5	D55	D55-T59 VanDerWaalsContact O-CB 3.28Å; D55-T59 WeakPolarHBondContact O-CB 3.38Å; D55-T59 WeakPolarHBondContact O-CG2 3.27Å; D55-T59 PolarHBondContact O-N 2.7Å; D55-T59 PolarHBondContact O-OG1 2.86Å
60	V	97.3	Very high	94	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-84.1	-51	-171.1	-177.1	0	0	0	0	110.8	F56 S63 V64 F89 Q223 L224 Y227	F56-V60 HydrophobicContact CD1-CB 4.45Å; F56-V60 HydrophobicContact CD2-CB 3.99Å; F56-V60 HydrophobicContact CD2-CG2 3.79Å; F56-V60 HydrophobicContact CE1-CB 4.3Å; F56-V60 HydrophobicContact CE1-CG1 4.36Å; F56-V60 HydrophobicContact CE2-CB 3.86Å; F56-V60 HydrophobicContact CE2-CG1 3.86Å; F56-V60 HydrophobicContact CE2-CG2 3.86Å; F56-V60 HydrophobicContact CG-CB 4.31Å; F56-V60 HydrophobicContact CG-CG2 4.43Å; F56-V60 HydrophobicContact CZ-CB 4.03Å; F56-V60 HydrophobicContact CZ-CG1 3.79Å; F56-V60 PolarHBondContact O-N 2.78Å; V60-S63 PolarHBondContact O-N 2.99Å; V60-V64 HydrophobicContact CG1-CG2 4.22Å; V60-V64 WeakPolarHBondContact O-CG2 3.16Å; V60-V64 PolarHBondContact O-N 3.32Å; V60-V64 VanDerWaalsContact O-N 3.14Å; V60-F89 HydrophobicContact CG1-CD1 3.69Å; V60-F89 HydrophobicContact CG1-CE1 3.67Å; V60-Q223 HydrophobicContact CG2-CB 4.42Å; V60-L224 HydrophobicContact CG1-CD1 4.45Å; V60-Y227 HydrophobicContact CG2-CG 4.17Å
61	M	97.3	Very high	94.8	Very high	12 Å²	12	45 Å²	45	6%	0.059	22%	0.221	C	C	.	.	H	α-helix	trans	-59.5	-39.4	-174.5	-74.5	-57.8	-59.2	0	0	114.6	F56 S63 V64 Q65 L86 F89 Q90	F56-M61 HydrophobicContact CD1-CG 3.87Å; F56-M61 HydrophobicContact CE1-CG 3.79Å; F56-M61 HydrophobicContact CE1-SD 3.87Å; F56-M61 PolarHBondContact O-N 3.01Å; F56-M61 VanDerWaalsContact O-N 3.13Å; M61-S63 PolarHBondContact O-N 3.1Å; M61-V64 PolarHBondContact O-N 2.9Å; M61-Q65 WeakPolarHBondContact O-CG 3.37Å; M61-Q65 PolarHBondContact O-N 3.39Å; M61-L86 HydrophobicContact CE-CD1 3.89Å; M61-F89 HydrophobicContact SD-CB 4.16Å; M61-Q90 HydrophobicContact CE-CG 3.96Å
62	P	97.5	Very high	95.3	Very high	56 Å²	56	44.2 Å²	44.2	36%	0.364	23%	0.227	S	C	.	.	H	α-helix	trans	-64.9	-38.4	179	-25.5	38.8	0	0	0	112.5	D57 E58 Q65 K66	D57-P62 WeakPolarHBondContact O-CD 3.49Å; D57-P62 WeakPolarHBondContact O-CG 3.44Å; E58-P62 WeakPolarHBondContact O-CG 3.43Å; P62-Q65 PolarHBondContact O-N 3.03Å; P62-K66 WeakPolarHBondContact O-CB 3.47Å; P62-K66 PolarHBondContact O-N 3.03Å
63	S	97.7	Very high	95.6	Very high	14 Å²	14	47.5 Å²	47.5	10%	0.098	25%	0.25	C	S	.	.	H	α-helix	trans	-64.6	-40.3	174.2	-68.9	0	0	0	0	111.7	V60 M61 K66 F67 D219 V220 Q223	V60-S63 PolarHBondContact O-N 2.99Å; M61-S63 PolarHBondContact O-N 3.1Å; S63-K66 PolarHBondContact O-N 3.05Å; S63-F67 WeakPolarHBondContact O-CB 3.37Å; S63-F67 PolarHBondContact O-N 2.75Å; S63-D219 WeakPolarHBondContact CB-OD2 3.38Å; S63-D219 PolarHBondContact OG-OD2 3.23Å; S63-V220 WeakPolarHBondContact O-CG2 3.18Å; S63-Q223 WeakPolarHBondContact OG-CG 3.38Å
64	V	97.5	Very high	95.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.5	-42.4	176.6	180	0	0	0	0	111.4	V60 M61 F67 N68 L86 F89 V220	V60-V64 HydrophobicContact CG1-CG2 4.22Å; V60-V64 WeakPolarHBondContact O-CG2 3.16Å; V60-V64 PolarHBondContact O-N 3.32Å; V60-V64 VanDerWaalsContact O-N 3.14Å; M61-V64 PolarHBondContact O-N 2.9Å; V64-F67 PolarHBondContact O-N 3.08Å; V64-N68 PolarHBondContact O-N 2.84Å; V64-L86 HydrophobicContact CG1-CB 4.28Å; V64-L86 HydrophobicContact CG1-CD1 3.76Å; V64-F89 HydrophobicContact CG1-CB 4.07Å; V64-F89 HydrophobicContact CG1-CD2 4.18Å; V64-F89 HydrophobicContact CG1-CG 4.2Å; V64-F89 HydrophobicContact CG2-CB 4.09Å; V64-F89 HydrophobicContact CG2-CD1 3.71Å; V64-F89 HydrophobicContact CG2-CD2 3.95Å; V64-F89 HydrophobicContact CG2-CE1 4.07Å; V64-F89 HydrophobicContact CG2-CE2 4.3Å; V64-F89 HydrophobicContact CG2-CG 3.64Å; V64-F89 HydrophobicContact CG2-CZ 4.35Å; V64-V220 HydrophobicContact CG2-CG1 3.75Å; V64-V220 HydrophobicContact CG2-CG2 4.08Å
65	Q	97.7	Very high	95.4	Very high	95 Å²	95	44.7 Å²	44.7	44%	0.444	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-41.2	177.1	-72.5	175.3	1.8	0	0	112.1	M61 P62 N68 K69 L86	M61-Q65 WeakPolarHBondContact O-CG 3.37Å; M61-Q65 PolarHBondContact O-N 3.39Å; P62-Q65 PolarHBondContact O-N 3.03Å; Q65-N68 PolarHBondContact O-N 2.8Å; Q65-K69 WeakPolarHBondContact O-CG 3.44Å; Q65-K69 PolarHBondContact O-N 3.44Å; Q65-K69 VanDerWaalsContact O-N 3.08Å; Q65-L86 HydrophobicContact CG-CD1 4.17Å
66	K	97.2	Very high	94.9	Very high	121 Å²	121	49.8 Å²	49.8	53%	0.526	27%	0.269	S	S	.	.	H	α-helix	trans	-61.2	-47.9	174.8	-170.2	-174.2	176.2	-177.8	0	110.7	P62 S63 N68 K69 T70 Q216	P62-K66 WeakPolarHBondContact O-CB 3.47Å; P62-K66 PolarHBondContact O-N 3.03Å; S63-K66 PolarHBondContact O-N 3.05Å; K66-N68 VanDerWaalsContact C-N 3.34Å; K66-N68 PolarHBondContact O-N 2.79Å; K66-K69 PolarHBondContact O-N 2.83Å; K66-T70 PolarHBondContact O-N 2.76Å; K66-T70 VanDerWaalsContact O-N 3.11Å; K66-Q216 HydrophobicContact CD-CG 4.39Å; K66-Q216 PolarHBondContact O-OE1 2.92Å; K66-Q216 VanDerWaalsContact O-OE1 3.08Å
67	F	98	Very high	94.5	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.1	-45.3	176	177	-104.9	0	0	0	112.4	S63 V64 K69 T70 C71 V85 I165 F213 Q216 W217 V220	S63-F67 WeakPolarHBondContact O-CB 3.37Å; S63-F67 PolarHBondContact O-N 2.75Å; V64-F67 PolarHBondContact O-N 3.08Å; F67-K69 PolarHBondContact O-N 3.28Å; F67-T70 PolarHBondContact O-N 3.03Å; F67-C71 WeakPolarHBondContact CE1-SG 3.48Å; F67-C71 WeakPolarHBondContact CZ-SG 3.42Å; F67-C71 PolarHBondContact O-N 2.85Å; F67-C71 PolarHBondContact O-SG 3.08Å; F67-V85 HydrophobicContact CD1-CG1 4.25Å; F67-V85 HydrophobicContact CE1-CB 4.42Å; F67-V85 HydrophobicContact CE1-CG1 4.17Å; F67-V85 HydrophobicContact CE1-CG2 4.46Å; F67-I165 HydrophobicContact CE1-CD1 4.44Å; F67-I165 HydrophobicContact CZ-CD1 3.91Å; F67-F213 AromaticContact CE2-CD2 3.49Å; F67-F213 HydrophobicContact CE2-CD2 3.49Å; F67-F213 VanDerWaalsContact CE2-CD2 3.49Å; F67-F213 AromaticContact CE2-CE2 3.54Å; F67-F213 HydrophobicContact CE2-CE2 3.54Å; F67-F213 HydrophobicContact CE2-CG 4.03Å; F67-F213 HydrophobicContact CE2-CZ 4.09Å; F67-F213 AromaticContact CZ-CD2 3.81Å; F67-F213 HydrophobicContact CZ-CD2 3.81Å; F67-F213 AromaticContact CZ-CE2 3.36Å; F67-F213 HydrophobicContact CZ-CE2 3.36Å; F67-F213 AromaticContact CZ-CZ 3.89Å; F67-F213 HydrophobicContact CZ-CZ 3.89Å; F67-Q216 HydrophobicContact CB-CB 4.29Å; F67-Q216 HydrophobicContact CD2-CB 3.99Å; F67-W217 HydrophobicContact CD1-CE3 4.22Å; F67-W217 HydrophobicContact CD2-CB 4.15Å; F67-W217 AromaticContact CE1-CE3 3.92Å; F67-W217 HydrophobicContact CE1-CE3 3.92Å; F67-W217 HydrophobicContact CE1-CZ3 4.38Å; F67-W217 HydrophobicContact CE2-CB 3.7Å; F67-W217 HydrophobicContact CE2-CE3 4.29Å; F67-W217 HydrophobicContact CE2-CG 4.42Å; F67-W217 HydrophobicContact CZ-CB 4.29Å; F67-W217 HydrophobicContact CZ-CD2 4.4Å; F67-W217 AromaticContact CZ-CE3 3.96Å; F67-W217 HydrophobicContact CZ-CE3 3.96Å; F67-V220 HydrophobicContact CB-CG2 3.99Å; F67-V220 HydrophobicContact CG-CG2 4.48Å
68	N	97.1	Very high	94.4	Very high	24 Å²	24	49.4 Å²	49.4	13%	0.128	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-44.1	177.4	-176	41.4	0	0	0	112	V64 Q65 K66 T70 C71 S72 G82 S83 L86	V64-N68 PolarHBondContact O-N 2.84Å; Q65-N68 PolarHBondContact O-N 2.8Å; K66-N68 VanDerWaalsContact C-N 3.34Å; K66-N68 PolarHBondContact O-N 2.79Å; N68-T70 VanDerWaalsContact C-N 3.35Å; N68-T70 PolarHBondContact O-N 2.8Å; N68-C71 WeakPolarHBondContact O-CB 3.26Å; N68-C71 PolarHBondContact O-N 2.62Å; N68-C71 VanDerWaalsContact O-N 3.16Å; N68-S72 PolarHBondContact O-N 2.91Å; N68-S72 PolarHBondContact O-OG 2.99Å; N68-G82 WeakPolarHBondContact OD1-CA 3.5Å; N68-G82 PolarHBondContact OD1-O 3.13Å; N68-S83 WeakPolarHBondContact OD1-CA 3.34Å; N68-S83 PolarHBondContact OD1-N 2.86Å; N68-L86 HydrophobicContact CB-CB 4.33Å; N68-L86 HydrophobicContact CB-CD2 4.44Å; N68-L86 WeakPolarHBondContact ND2-CD2 3.42Å
69	K	97.3	Very high	94.2	Very high	145 Å²	145	43.5 Å²	43.5	63%	0.63	24%	0.243	S	C	*	.	H	α-helix	trans	-58.8	-45.4	176.7	-71.5	174.3	-177.6	177.2	0	111.8	Q65 K66 F67 C71 S72 S73	Q65-K69 WeakPolarHBondContact O-CG 3.44Å; Q65-K69 PolarHBondContact O-N 3.44Å; Q65-K69 VanDerWaalsContact O-N 3.08Å; K66-K69 PolarHBondContact O-N 2.83Å; F67-K69 PolarHBondContact O-N 3.28Å; K69-C71 VanDerWaalsContact C-N 3.34Å; K69-S72 PolarHBondContact O-N 2.88Å; K69-S73 PolarHBondContact O-N 2.94Å; K69-S73 PolarHBondContact O-OG 3Å
70	T	97	Very high	93.9	Very high	15 Å²	15	45.2 Å²	45.2	9%	0.092	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-40.8	175.9	-69.4	0	0	0	0	111.7	K66 F67 N68 S72 S73 I74 D212 F213 Q216	K66-T70 PolarHBondContact O-N 2.76Å; K66-T70 VanDerWaalsContact O-N 3.11Å; F67-T70 PolarHBondContact O-N 3.03Å; N68-T70 VanDerWaalsContact C-N 3.35Å; N68-T70 PolarHBondContact O-N 2.8Å; T70-S72 VanDerWaalsContact C-N 3.34Å; T70-S72 PolarHBondContact O-N 2.81Å; T70-S73 PolarHBondContact O-N 2.79Å; T70-S73 VanDerWaalsContact O-N 3.15Å; T70-I74 HydrophobicContact CG2-CD1 4.15Å; T70-I74 WeakPolarHBondContact O-CG1 3.22Å; T70-I74 PolarHBondContact O-N 3.4Å; T70-D212 HydrophobicContact CG2-CB 4.08Å; T70-F213 HydrophobicContact CG2-CB 4.43Å; T70-Q216 PolarHBondContact OG1-NE2 3.34Å; T70-Q216 PolarHBondContact OG1-OE1 3.22Å
71	C	94.8	Very high	93.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.1	-44.6	175.1	-72.3	0	0	0	0	112.4	F67 N68 K69 S73 I74 V78 G79	F67-C71 WeakPolarHBondContact CE1-SG 3.48Å; F67-C71 WeakPolarHBondContact CZ-SG 3.42Å; F67-C71 PolarHBondContact O-N 2.85Å; F67-C71 PolarHBondContact O-SG 3.08Å; N68-C71 WeakPolarHBondContact O-CB 3.26Å; N68-C71 PolarHBondContact O-N 2.62Å; N68-C71 VanDerWaalsContact O-N 3.16Å; K69-C71 VanDerWaalsContact C-N 3.34Å; C71-S73 VanDerWaalsContact C-N 3.27Å; C71-S73 PolarHBondContact O-N 3.06Å; C71-I74 PolarHBondContact O-N 2.92Å; C71-V78 HydrophobicContact CB-CG1 4.03Å; C71-V78 WeakPolarHBondContact CB-O 3.43Å; C71-V78 CarbonylContact O-C 3.6Å; C71-G79 WeakPolarHBondContact O-CA 3.34Å; C71-G79 PolarHBondContact O-N 2.87Å
72	S	94.3	Very high	93.5	Very high	67 Å²	67	44.7 Å²	44.7	47%	0.469	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-31.3	176.8	-56.1	0	0	0	0	113.1	N68 K69 T70	N68-S72 PolarHBondContact O-N 2.91Å; N68-S72 PolarHBondContact O-OG 2.99Å; K69-S72 PolarHBondContact O-N 2.88Å; T70-S72 VanDerWaalsContact C-N 3.34Å; T70-S72 PolarHBondContact O-N 2.81Å
73	S	95.1	Very high	93.3	Very high	82 Å²	82	44.8 Å²	44.8	57%	0.573	25%	0.247	S	C	*	.	H	α-helix	trans	-77.4	-20.5	177.6	-58.3	0	0	0	0	114.3	K69 T70 C71	K69-S73 PolarHBondContact O-N 2.94Å; K69-S73 PolarHBondContact O-OG 3Å; T70-S73 PolarHBondContact O-N 2.79Å; T70-S73 VanDerWaalsContact O-N 3.15Å; C71-S73 VanDerWaalsContact C-N 3.27Å; C71-S73 PolarHBondContact O-N 3.06Å
74	I	91.3	Very high	93	Very high	20 Å²	20	44.9 Å²	44.9	10%	0.103	25%	0.247	C	C	.	.	H	α-helix	trans	-76.6	-39.2	-179.4	-71.5	166.6	0	0	0	111.8	T70 C71 V78 F158 L209 H210 F213	T70-I74 HydrophobicContact CG2-CD1 4.15Å; T70-I74 WeakPolarHBondContact O-CG1 3.22Å; T70-I74 PolarHBondContact O-N 3.4Å; C71-I74 PolarHBondContact O-N 2.92Å; I74-V78 HydrophobicContact CB-CB 4.23Å; I74-V78 HydrophobicContact CB-CG1 4.23Å; I74-V78 HydrophobicContact CD1-CG1 4.19Å; I74-V78 HydrophobicContact CG2-CB 4Å; I74-V78 HydrophobicContact CG2-CG1 4.22Å; I74-V78 HydrophobicContact CG2-CG2 3.84Å; I74-F158 HydrophobicContact CG2-CD1 4.34Å; I74-F158 HydrophobicContact CG2-CE1 3.82Å; I74-F158 HydrophobicContact CG2-CZ 4.3Å; I74-L209 HydrophobicContact CD1-CB 4.47Å; I74-L209 HydrophobicContact CG1-CB 3.82Å; I74-H210 WeakPolarHBondContact CG2-CE1 3.34Å; I74-F213 HydrophobicContact CD1-CB 3.76Å; I74-F213 HydrophobicContact CD1-CD2 4.07Å; I74-F213 HydrophobicContact CD1-CG 4.26Å
75	G	85.8	Confident	92.9	Very high	22 Å²	22	44.9 Å²	44.9	23%	0.227	25%	0.247	C	C	.	.			trans	153.9	165.8	178.3	0	0	0	0	0	113	V77 V78 G79	G75-V77 VanDerWaalsContact C-N 3.34Å; G75-V77 PolarHBondContact O-N 3.4Å; G75-V78 PolarHBondContact O-N 2.91Å; G75-V78 VanDerWaalsContact O-N 3.09Å; G75-G79 PolarHBondContact O-N 3.27Å
76	D	83.3	Confident	92.9	Very high	137 Å²	137	41.8 Å²	41.8	73%	0.733	23%	0.233	S	C	*	.	H	α-helix	trans	-54.6	-43.1	-166.4	-59	-22.4	0	0	0	114.6	G79 Q80	D76-G79 PolarHBondContact O-N 3.5Å; D76-Q80 WeakPolarHBondContact O-CB 3.29Å; D76-Q80 WeakPolarHBondContact O-CG 3.42Å; D76-Q80 PolarHBondContact O-N 3.28Å
77	V	86	Confident	92.7	Very high	48 Å²	48	38 Å²	38	29%	0.291	22%	0.218	S	C	.	.	H	α-helix	trans	-66.5	-44.6	-179.4	173.2	0	0	0	0	111.2	G75 L81 F127 C131 F158 L162	G75-V77 VanDerWaalsContact C-N 3.34Å; G75-V77 PolarHBondContact O-N 3.4Å; V77-L81 PolarHBondContact O-N 3.45Å; V77-L81 VanDerWaalsContact O-N 3.14Å; V77-F127 HydrophobicContact CG1-CZ 4.31Å; V77-F127 WeakPolarHBondContact O-CZ 3.39Å; V77-C131 HydrophobicContact CG1-CB 4.36Å; V77-F158 HydrophobicContact CB-CD2 4.34Å; V77-L162 HydrophobicContact CG1-CD1 4.15Å; V77-L162 HydrophobicContact CG1-CD2 4.13Å
78	V	90.9	Very high	92.5	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-72	-35.2	178.5	-175.1	0	0	0	0	110	C71 I74 G75 L81 G82 F158 H161 F213	C71-V78 HydrophobicContact CB-CG1 4.03Å; C71-V78 WeakPolarHBondContact CB-O 3.43Å; C71-V78 CarbonylContact O-C 3.6Å; I74-V78 HydrophobicContact CB-CB 4.23Å; I74-V78 HydrophobicContact CB-CG1 4.23Å; I74-V78 HydrophobicContact CD1-CG1 4.19Å; I74-V78 HydrophobicContact CG2-CB 4Å; I74-V78 HydrophobicContact CG2-CG1 4.22Å; I74-V78 HydrophobicContact CG2-CG2 3.84Å; G75-V78 PolarHBondContact O-N 2.91Å; G75-V78 VanDerWaalsContact O-N 3.09Å; V78-L81 WeakPolarHBondContact O-CB 2.95Å; V78-L81 PolarHBondContact O-N 3.08Å; V78-G82 PolarHBondContact O-N 2.88Å; V78-F158 HydrophobicContact CG2-CB 3.84Å; V78-F158 HydrophobicContact CG2-CD1 3.76Å; V78-F158 HydrophobicContact CG2-CD2 3.97Å; V78-F158 HydrophobicContact CG2-CE1 4.31Å; V78-F158 HydrophobicContact CG2-CE2 4.47Å; V78-F158 HydrophobicContact CG2-CG 3.57Å; V78-H161 HydrophobicContact CG2-CB 4.49Å; V78-F213 HydrophobicContact CG1-CD2 4.1Å; V78-F213 HydrophobicContact CG1-CE2 3.91Å
79	G	90.9	Very high	92.5	Very high	7 Å²	7	36.8 Å²	36.8	7%	0.072	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-42.3	175.1	0	0	0	0	0	113.4	C71 G75 D76 G82 S83	C71-G79 WeakPolarHBondContact O-CA 3.34Å; C71-G79 PolarHBondContact O-N 2.87Å; G75-G79 PolarHBondContact O-N 3.27Å; D76-G79 PolarHBondContact O-N 3.5Å; G79-G82 PolarHBondContact O-N 2.86Å; G79-S83 PolarHBondContact O-N 3.21Å; G79-S83 PolarHBondContact O-OG 3.12Å
80	Q	89.1	Confident	92.4	Very high	85 Å²	85	33.7 Å²	33.7	40%	0.397	20%	0.2	S	C	.	.	H	α-helix	trans	-63.8	-41.3	172.7	-75.1	177.6	57.7	0	0	111.6	D76 G82 S83 L84 F127	D76-Q80 WeakPolarHBondContact O-CB 3.29Å; D76-Q80 WeakPolarHBondContact O-CG 3.42Å; D76-Q80 PolarHBondContact O-N 3.28Å; Q80-G82 PolarHBondContact O-N 3.19Å; Q80-S83 PolarHBondContact O-N 3.15Å; Q80-L84 WeakPolarHBondContact O-CG 3.49Å; Q80-L84 PolarHBondContact O-N 3.31Å; Q80-F127 HydrophobicContact CB-CE1 4.1Å; Q80-F127 HydrophobicContact CB-CE2 3.7Å; Q80-F127 HydrophobicContact CB-CZ 3.4Å; Q80-F127 HydrophobicContact CG-CE2 4.42Å; Q80-F127 HydrophobicContact CG-CZ 4.43Å; Q80-F127 VanDerWaalsContact OE1-CE2 3.22Å
81	L	91	Very high	92.2	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58	-49	173.2	-177.1	69.3	0	0	0	111.5	V77 V78 S83 L84 V85 I124 F127 I128 L162 I165	V77-L81 PolarHBondContact O-N 3.45Å; V77-L81 VanDerWaalsContact O-N 3.14Å; V78-L81 WeakPolarHBondContact O-CB 2.95Å; V78-L81 PolarHBondContact O-N 3.08Å; L81-S83 VanDerWaalsContact C-N 3.28Å; L81-S83 PolarHBondContact O-N 2.72Å; L81-L84 PolarHBondContact O-N 3.11Å; L81-V85 WeakPolarHBondContact O-CG2 3.37Å; L81-V85 PolarHBondContact O-N 3.41Å; L81-I124 HydrophobicContact CD1-CG2 4.07Å; L81-F127 HydrophobicContact CB-CE1 3.98Å; L81-F127 HydrophobicContact CD1-CD1 4.33Å; L81-I128 HydrophobicContact CD1-CD1 3.85Å; L81-I128 HydrophobicContact CD1-CG1 3.9Å; L81-L162 HydrophobicContact CB-CD2 4.33Å; L81-L162 HydrophobicContact CD1-CD2 4.16Å; L81-L162 HydrophobicContact CD2-CD2 3.85Å; L81-L162 HydrophobicContact CG-CD2 4.34Å; L81-I165 HydrophobicContact CD1-CB 4.27Å; L81-I165 HydrophobicContact CD1-CG2 3.99Å; L81-I165 HydrophobicContact CD2-CB 4.02Å; L81-I165 HydrophobicContact CD2-CG1 3.57Å; L81-I165 HydrophobicContact CD2-CG2 4.49Å; L81-I165 HydrophobicContact CG-CB 4.44Å; L81-I165 HydrophobicContact CG-CG1 4.22Å; L81-I165 HydrophobicContact CG-CG2 4.38Å
82	G	93.3	Very high	92.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.2	-39.6	177.4	0	0	0	0	0	112.8	N68 V78 G79 Q80 V85 L86	N68-G82 WeakPolarHBondContact OD1-CA 3.5Å; N68-G82 PolarHBondContact OD1-O 3.13Å; V78-G82 PolarHBondContact O-N 2.88Å; G79-G82 PolarHBondContact O-N 2.86Å; Q80-G82 PolarHBondContact O-N 3.19Å; G82-V85 PolarHBondContact O-N 3.15Å; G82-L86 PolarHBondContact O-N 3.16Å
83	S	93.9	Very high	92.1	Very high	59 Å²	59	35.5 Å²	35.5	41%	0.413	20%	0.196	S	C	.	.	H	α-helix	trans	-67	-40.5	178.9	-60.9	0	0	0	0	111.8	N68 G79 Q80 L81 L86 L87	N68-S83 WeakPolarHBondContact OD1-CA 3.34Å; N68-S83 PolarHBondContact OD1-N 2.86Å; G79-S83 PolarHBondContact O-N 3.21Å; G79-S83 PolarHBondContact O-OG 3.12Å; Q80-S83 PolarHBondContact O-N 3.15Å; L81-S83 VanDerWaalsContact C-N 3.28Å; L81-S83 PolarHBondContact O-N 2.72Å; S83-L86 PolarHBondContact O-N 3.43Å; S83-L87 PolarHBondContact O-N 2.99Å
84	L	91.8	Very high	91.8	Very high	16 Å²	16	34.2 Å²	34.2	8%	0.084	18%	0.183	C	C	.	.	H	α-helix	trans	-67.1	-37.4	174.5	-69.8	169	0	0	0	112	Q80 L81 L87 T88 A123 I124 F127	Q80-L84 WeakPolarHBondContact O-CG 3.49Å; Q80-L84 PolarHBondContact O-N 3.31Å; L81-L84 PolarHBondContact O-N 3.11Å; L84-L87 PolarHBondContact O-N 3.42Å; L84-T88 WeakPolarHBondContact O-CB 3.35Å; L84-T88 PolarHBondContact O-N 3.42Å; L84-T88 PolarHBondContact O-OG1 3.21Å; L84-A123 HydrophobicContact CD2-CB 4.38Å; L84-I124 HydrophobicContact CB-CD1 4.28Å; L84-I124 HydrophobicContact CB-CG1 3.55Å; L84-I124 HydrophobicContact CD1-CG1 4.45Å; L84-F127 HydrophobicContact CD1-CB 3.41Å; L84-F127 VanDerWaalsContact CD1-CB 3.41Å; L84-F127 HydrophobicContact CD1-CD1 3.73Å; L84-F127 HydrophobicContact CD1-CD2 4.21Å; L84-F127 HydrophobicContact CD1-CG 3.49Å; L84-F127 VanDerWaalsContact CD1-CG 3.49Å
85	V	96	Very high	91.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-47.1	173.2	170.8	0	0	0	0	110.6	F67 L81 G82 L87 T88 F89 I124 I165 I169 W217	F67-V85 HydrophobicContact CD1-CG1 4.25Å; F67-V85 HydrophobicContact CE1-CB 4.42Å; F67-V85 HydrophobicContact CE1-CG1 4.17Å; F67-V85 HydrophobicContact CE1-CG2 4.46Å; L81-V85 WeakPolarHBondContact O-CG2 3.37Å; L81-V85 PolarHBondContact O-N 3.41Å; G82-V85 PolarHBondContact O-N 3.15Å; V85-L87 VanDerWaalsContact C-N 3.33Å; V85-L87 PolarHBondContact O-N 2.85Å; V85-T88 WeakPolarHBondContact O-CB 3.35Å; V85-T88 PolarHBondContact O-N 3.47Å; V85-T88 VanDerWaalsContact O-N 3.12Å; V85-F89 HydrophobicContact CG1-CD2 4.03Å; V85-F89 HydrophobicContact CG1-CE2 4.1Å; V85-F89 WeakPolarHBondContact O-CD2 3.02Å; V85-F89 PolarHBondContact O-N 3.1Å; V85-I124 HydrophobicContact CG2-CD1 3.99Å; V85-I165 HydrophobicContact CG2-CG2 3.82Å; V85-I169 HydrophobicContact CG2-CD1 4.29Å; V85-W217 HydrophobicContact CG1-CH2 4.34Å; V85-W217 HydrophobicContact CG1-CZ3 3.75Å
86	L	96	Very high	91.9	Very high	29 Å²	29	32.5 Å²	32.5	15%	0.152	17%	0.169	C	C	.	.	H	α-helix	trans	-57.3	-47	176.2	176.5	63	0	0	0	111.5	M61 V64 Q65 N68 G82 S83 T88 F89 Q90	M61-L86 HydrophobicContact CE-CD1 3.89Å; V64-L86 HydrophobicContact CG1-CB 4.28Å; V64-L86 HydrophobicContact CG1-CD1 3.76Å; Q65-L86 HydrophobicContact CG-CD1 4.17Å; N68-L86 HydrophobicContact CB-CB 4.33Å; N68-L86 HydrophobicContact CB-CD2 4.44Å; N68-L86 WeakPolarHBondContact ND2-CD2 3.42Å; G82-L86 PolarHBondContact O-N 3.16Å; S83-L86 PolarHBondContact O-N 3.43Å; L86-T88 VanDerWaalsContact C-N 3.29Å; L86-T88 PolarHBondContact O-N 2.93Å; L86-F89 PolarHBondContact O-N 3.49Å; L86-Q90 WeakPolarHBondContact O-CG 3.38Å; L86-Q90 PolarHBondContact O-N 3.49Å
87	L	93.7	Very high	92.1	Very high	41 Å²	41	27.7 Å²	27.7	22%	0.215	15%	0.145	C	C	.	.	H	α-helix	trans	-58.8	-42.1	176.3	-179.1	62.6	0	0	0	111.5	S83 L84 V85 F89 Q90 Q91 F257	S83-L87 PolarHBondContact O-N 2.99Å; L84-L87 PolarHBondContact O-N 3.42Å; V85-L87 VanDerWaalsContact C-N 3.33Å; V85-L87 PolarHBondContact O-N 2.85Å; L87-F89 PolarHBondContact O-N 2.99Å; L87-Q90 WeakPolarHBondContact O-CB 3.44Å; L87-Q90 PolarHBondContact O-N 3.33Å; L87-Q91 WeakPolarHBondContact O-CG 3.39Å; L87-Q91 PolarHBondContact O-N 3.02Å; L87-F257 HydrophobicContact CD2-CE1 4.13Å
88	T	94.1	Very high	92	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.7	-42.3	179.4	-58.5	0	0	0	0	112	L84 V85 L86 Q91 Q92 I121 I124 I169 V172	L84-T88 WeakPolarHBondContact O-CB 3.35Å; L84-T88 PolarHBondContact O-N 3.42Å; L84-T88 PolarHBondContact O-OG1 3.21Å; V85-T88 WeakPolarHBondContact O-CB 3.35Å; V85-T88 PolarHBondContact O-N 3.47Å; V85-T88 VanDerWaalsContact O-N 3.12Å; L86-T88 VanDerWaalsContact C-N 3.29Å; L86-T88 PolarHBondContact O-N 2.93Å; T88-Q91 PolarHBondContact O-N 3.4Å; T88-Q92 PolarHBondContact O-N 2.83Å; T88-I121 HydrophobicContact CG2-CG1 3.79Å; T88-I124 VanDerWaalsContact OG1-CD1 3.24Å; T88-I124 WeakPolarHBondContact OG1-CD1 3.25Å; T88-I169 HydrophobicContact CG2-CD1 4.36Å; T88-V172 HydrophobicContact CG2-CB 4.36Å; T88-V172 HydrophobicContact CG2-CG1 3.94Å; T88-V172 HydrophobicContact CG2-CG2 4.13Å
89	F	97	Very high	91.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-71.8	-30.6	175.2	-84.6	-94.4	0	0	0	112.9	F56 V60 M61 V64 V85 L86 L87 Q92 R93 V172 W217 V220 L224	F56-F89 HydrophobicContact CZ-CD1 4.16Å; V60-F89 HydrophobicContact CG1-CD1 3.69Å; V60-F89 HydrophobicContact CG1-CE1 3.67Å; M61-F89 HydrophobicContact SD-CB 4.16Å; V64-F89 HydrophobicContact CG1-CB 4.07Å; V64-F89 HydrophobicContact CG1-CD2 4.18Å; V64-F89 HydrophobicContact CG1-CG 4.2Å; V64-F89 HydrophobicContact CG2-CB 4.09Å; V64-F89 HydrophobicContact CG2-CD1 3.71Å; V64-F89 HydrophobicContact CG2-CD2 3.95Å; V64-F89 HydrophobicContact CG2-CE1 4.07Å; V64-F89 HydrophobicContact CG2-CE2 4.3Å; V64-F89 HydrophobicContact CG2-CG 3.64Å; V64-F89 HydrophobicContact CG2-CZ 4.35Å; V85-F89 HydrophobicContact CG1-CD2 4.03Å; V85-F89 HydrophobicContact CG1-CE2 4.1Å; V85-F89 WeakPolarHBondContact O-CD2 3.02Å; V85-F89 PolarHBondContact O-N 3.1Å; L86-F89 PolarHBondContact O-N 3.49Å; L87-F89 PolarHBondContact O-N 2.99Å; F89-Q92 PolarHBondContact O-N 3.06Å; F89-R93 PolarHBondContact O-N 3.26Å; F89-V172 HydrophobicContact CD2-CG2 4.37Å; F89-V172 HydrophobicContact CE1-CG2 4.49Å; F89-V172 HydrophobicContact CE2-CG2 3.84Å; F89-V172 HydrophobicContact CZ-CG2 3.91Å; F89-W217 HydrophobicContact CE2-CH2 4.4Å; F89-W217 HydrophobicContact CE2-CZ3 4.36Å; F89-V220 HydrophobicContact CE1-CG1 4.12Å; F89-V220 HydrophobicContact CE2-CG1 3.94Å; F89-V220 HydrophobicContact CZ-CG1 3.54Å; F89-L224 HydrophobicContact CE1-CD1 4.36Å; F89-L224 HydrophobicContact CE1-CD2 4.1Å; F89-L224 HydrophobicContact CZ-CD2 4.27Å
90	Q	94.8	Very high	90.9	Very high	80 Å²	80	31.4 Å²	31.4	37%	0.374	15%	0.154	S	C	.	.	H	α-helix	trans	-63.8	-42.5	169.5	-71.8	171.9	-24.5	0	0	111.4	M61 L86 L87 Q92 R93 D94	M61-Q90 HydrophobicContact CE-CG 3.96Å; L86-Q90 WeakPolarHBondContact O-CG 3.38Å; L86-Q90 PolarHBondContact O-N 3.49Å; L87-Q90 WeakPolarHBondContact O-CB 3.44Å; L87-Q90 PolarHBondContact O-N 3.33Å; Q90-Q92 VanDerWaalsContact C-N 3.3Å; Q90-Q92 PolarHBondContact O-N 3.05Å; Q90-R93 WeakPolarHBondContact O-CB 3.29Å; Q90-R93 PolarHBondContact O-N 2.94Å; Q90-D94 PolarHBondContact O-N 3.37Å
91	Q	92.4	Very high	90.2	Very high	43 Å²	43	31.2 Å²	31.2	20%	0.201	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-36.7	174.3	-64.3	-55.6	-27.7	0	0	111.9	L87 T88 D94 F95 P116	L87-Q91 WeakPolarHBondContact O-CG 3.39Å; L87-Q91 PolarHBondContact O-N 3.02Å; T88-Q91 PolarHBondContact O-N 3.4Å; Q91-D94 PolarHBondContact O-N 2.84Å; Q91-F95 WeakPolarHBondContact O-CB 3.12Å; Q91-F95 PolarHBondContact O-N 2.9Å; Q91-P116 HydrophobicContact CG-CB 4.41Å
92	Q	93.5	Very high	89.4	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-65.9	-42.5	173.6	-173.9	-179.7	56.4	0	0	112	F56 T88 F89 Q90 D94 F95 I96 V172 W174	F56-Q92 HydrophobicContact CZ-CG 4.41Å; T88-Q92 PolarHBondContact O-N 2.83Å; F89-Q92 PolarHBondContact O-N 3.06Å; Q90-Q92 VanDerWaalsContact C-N 3.3Å; Q90-Q92 PolarHBondContact O-N 3.05Å; Q92-D94 VanDerWaalsContact C-N 3.34Å; Q92-D94 PolarHBondContact O-N 2.78Å; Q92-F95 WeakPolarHBondContact O-CB 3.14Å; Q92-F95 PolarHBondContact O-N 2.89Å; Q92-I96 HydrophobicContact CG-CD1 4.22Å; Q92-I96 VanDerWaalsContact O-CG1 3.3Å; Q92-I96 WeakPolarHBondContact O-CG1 3.27Å; Q92-I96 PolarHBondContact O-N 3.16Å; Q92-V172 HydrophobicContact CB-CG1 3.98Å; Q92-V172 HydrophobicContact CG-CG1 4.17Å; Q92-V172 PolarHBondContact NE2-O 3.39Å; Q92-W174 VanDerWaalsContact NE2-CD1 3.32Å
93	R	93.5	Very high	88.7	Confident	76 Å²	76	35.4 Å²	35.4	29%	0.287	19%	0.194	S	C	.	.	H	α-helix	trans	-57.6	-48.1	173.2	-173.6	-145.9	177.8	-105.3	-4.7	110.9	F56 D57 F89 Q90 F95 I96 C97	F56-R93 HydrophobicContact CD1-CB 4Å; F56-R93 HydrophobicContact CD1-CG 3.94Å; F56-R93 HydrophobicContact CE1-CB 3.73Å; F56-R93 HydrophobicContact CE1-CG 4.19Å; D57-R93 WeakPolarHBondContact OD1-CD 3.38Å; D57-R93 IonicContact OD1-CZ 3.9Å; D57-R93 IonicContact OD1-NE 3.87Å; D57-R93 PolarHBondContact OD1-NE 3.19Å; D57-R93 IonicContact OD2-CZ 2.84Å; D57-R93 IonicContact OD2-NE 3.39Å; D57-R93 PolarHBondContact OD2-NE 3.28Å; D57-R93 VanDerWaalsContact OD2-NE 3.08Å; D57-R93 IonicContact OD2-NH2 3.08Å; D57-R93 PolarHBondContact OD2-NH2 3.22Å; F89-R93 PolarHBondContact O-N 3.26Å; Q90-R93 WeakPolarHBondContact O-CB 3.29Å; Q90-R93 PolarHBondContact O-N 2.94Å; R93-F95 VanDerWaalsContact C-N 3.29Å; R93-F95 PolarHBondContact O-N 2.81Å; R93-I96 WeakPolarHBondContact O-CB 3.45Å; R93-I96 PolarHBondContact O-N 2.81Å; R93-I96 VanDerWaalsContact O-N 3.07Å; R93-C97 PolarHBondContact O-N 3.36Å; R93-C97 PolarHBondContact O-SG 3.3Å
94	D	89.4	Confident	88.1	Confident	55 Å²	55	39.5 Å²	39.5	29%	0.294	20%	0.204	S	C	.	.	H	α-helix	trans	-62.5	-37.4	178.8	-75.3	-5.5	0	0	0	112	Q90 Q91 Q92 C97 R98	Q90-D94 PolarHBondContact O-N 3.37Å; Q91-D94 PolarHBondContact O-N 2.84Å; Q92-D94 VanDerWaalsContact C-N 3.34Å; Q92-D94 PolarHBondContact O-N 2.78Å; D94-C97 PolarHBondContact O-N 3.25Å; D94-R98 WeakPolarHBondContact O-CB 3.29Å; D94-R98 VanDerWaalsContact O-CG 3.25Å; D94-R98 WeakPolarHBondContact O-CG 3.45Å; D94-R98 PolarHBondContact O-N 2.81Å
95	F	90.8	Very high	87.5	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-49.5	170.3	174.8	-86.2	0	0	0	111.1	Q91 Q92 R93 C97 R98 A99 L113 L114 V175 F236 W238	Q91-F95 WeakPolarHBondContact O-CB 3.12Å; Q91-F95 PolarHBondContact O-N 2.9Å; Q92-F95 WeakPolarHBondContact O-CB 3.14Å; Q92-F95 PolarHBondContact O-N 2.89Å; R93-F95 VanDerWaalsContact C-N 3.29Å; R93-F95 PolarHBondContact O-N 2.81Å; F95-C97 VanDerWaalsContact C-N 3.34Å; F95-C97 PolarHBondContact O-N 3.03Å; F95-R98 PolarHBondContact O-N 3.3Å; F95-A99 HydrophobicContact CE1-CB 4.18Å; F95-A99 HydrophobicContact CZ-CB 4.46Å; F95-A99 WeakPolarHBondContact O-CB 3.13Å; F95-A99 PolarHBondContact O-N 2.84Å; F95-L113 HydrophobicContact CD2-CD2 4.11Å; F95-L113 HydrophobicContact CD2-CG 3.72Å; F95-L113 HydrophobicContact CE2-CB 4.35Å; F95-L113 HydrophobicContact CE2-CD2 3.64Å; F95-L113 HydrophobicContact CE2-CG 3.63Å; F95-L113 HydrophobicContact CZ-CD2 4.32Å; F95-L114 HydrophobicContact CD2-CD2 3.91Å; F95-L114 HydrophobicContact CE2-CD2 3.41Å; F95-L114 VanDerWaalsContact CE2-CD2 3.41Å; F95-L114 HydrophobicContact CE2-CG 3.97Å; F95-L114 HydrophobicContact CZ-CD2 3.9Å; F95-V175 HydrophobicContact CD1-CB 4.35Å; F95-V175 HydrophobicContact CD1-CG1 3.97Å; F95-V175 HydrophobicContact CE1-CB 3.72Å; F95-V175 HydrophobicContact CE1-CG1 3.77Å; F95-V175 HydrophobicContact CE1-CG2 4.08Å; F95-V175 HydrophobicContact CZ-CB 4.18Å; F95-V175 HydrophobicContact CZ-CG2 4.22Å; F95-F236 HydrophobicContact CD1-CE2 4.17Å; F95-F236 AromaticContact CE1-CD2 3.94Å; F95-F236 HydrophobicContact CE1-CD2 3.94Å; F95-F236 AromaticContact CE1-CE2 3.65Å; F95-F236 HydrophobicContact CE1-CE2 3.65Å; F95-F236 HydrophobicContact CE1-CZ 4.01Å; F95-W238 AromaticContact CZ-CH2 3.89Å; F95-W238 HydrophobicContact CZ-CH2 3.89Å; F95-W238 HydrophobicContact CZ-CZ2 4.19Å
96	I	89.5	Confident	86.8	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-45.5	179	-65.8	162.2	0	0	0	110.4	V52 V53 F56 Q92 R93 R98 A99 A100 Y227 F236	V52-I96 HydrophobicContact CG1-CG2 3.9Å; V53-I96 HydrophobicContact CG2-CG2 4.17Å; F56-I96 HydrophobicContact CD2-CD1 3.56Å; F56-I96 HydrophobicContact CE2-CD1 3.62Å; F56-I96 HydrophobicContact CG-CD1 4.04Å; F56-I96 HydrophobicContact CZ-CD1 4.15Å; Q92-I96 HydrophobicContact CG-CD1 4.22Å; Q92-I96 VanDerWaalsContact O-CG1 3.3Å; Q92-I96 WeakPolarHBondContact O-CG1 3.27Å; Q92-I96 PolarHBondContact O-N 3.16Å; R93-I96 WeakPolarHBondContact O-CB 3.45Å; R93-I96 PolarHBondContact O-N 2.81Å; R93-I96 VanDerWaalsContact O-N 3.07Å; I96-R98 PolarHBondContact O-N 3.39Å; I96-A99 PolarHBondContact O-N 3.09Å; I96-A100 WeakPolarHBondContact O-CB 3.5Å; I96-A100 PolarHBondContact O-N 3.38Å; I96-Y227 HydrophobicContact CD1-CE1 4.18Å; I96-F236 HydrophobicContact CG1-CE2 4.2Å
97	C	87.2	Confident	86	Confident	35 Å²	35	51.4 Å²	51.4	24%	0.236	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-46.7	176.6	-68.1	0	0	0	0	112.6	V53 R93 D94 F95 A100 A101	V53-C97 WeakPolarHBondContact CG1-SG 3.47Å; V53-C97 HydrophobicContact CG2-CB 4.48Å; R93-C97 PolarHBondContact O-N 3.36Å; R93-C97 PolarHBondContact O-SG 3.3Å; D94-C97 PolarHBondContact O-N 3.25Å; F95-C97 VanDerWaalsContact C-N 3.34Å; F95-C97 PolarHBondContact O-N 3.03Å; C97-A100 WeakPolarHBondContact O-CB 3.44Å; C97-A100 PolarHBondContact O-N 2.98Å; C97-A101 PolarHBondContact O-N 3.2Å
98	R	82.8	Confident	85.4	Confident	124 Å²	124	56.3 Å²	56.3	47%	0.468	29%	0.287	S	S	.	.	H	α-helix	trans	-68.8	-40.1	179.9	-69.1	175.4	-153.1	-152	7.9	111.7	D94 F95 I96 A100 A101 S102 L113	D94-R98 WeakPolarHBondContact O-CB 3.29Å; D94-R98 VanDerWaalsContact O-CG 3.25Å; D94-R98 WeakPolarHBondContact O-CG 3.45Å; D94-R98 PolarHBondContact O-N 2.81Å; F95-R98 PolarHBondContact O-N 3.3Å; I96-R98 PolarHBondContact O-N 3.39Å; R98-A100 VanDerWaalsContact C-N 3.34Å; R98-A101 PolarHBondContact O-N 2.83Å; R98-S102 WeakPolarHBondContact O-CB 3.39Å; R98-S102 PolarHBondContact O-N 3.22Å; R98-S102 PolarHBondContact O-OG 3.38Å; R98-L113 HydrophobicContact CB-CD1 3.93Å
99	A	83	Confident	84.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-69.9	-32.2	178.5	0	0	0	0	0	112	F95 I96 A101 S102 F236 W238	F95-A99 HydrophobicContact CE1-CB 4.18Å; F95-A99 HydrophobicContact CZ-CB 4.46Å; F95-A99 WeakPolarHBondContact O-CB 3.13Å; F95-A99 PolarHBondContact O-N 2.84Å; I96-A99 PolarHBondContact O-N 3.09Å; A99-A101 VanDerWaalsContact C-N 3.29Å; A99-A101 PolarHBondContact O-N 3.42Å; A99-S102 PolarHBondContact O-N 3.35Å; A99-F236 HydrophobicContact CB-CD1 4.47Å; A99-F236 HydrophobicContact CB-CE1 3.41Å; A99-F236 VanDerWaalsContact CB-CE1 3.41Å; A99-F236 HydrophobicContact CB-CZ 3.44Å; A99-F236 VanDerWaalsContact CB-CZ 3.44Å; A99-W238 HydrophobicContact CB-CE3 4.02Å; A99-W238 HydrophobicContact CB-CH2 3.88Å; A99-W238 HydrophobicContact CB-CZ3 3.47Å; A99-W238 VanDerWaalsContact CB-CZ3 3.47Å
100	A	76.5	Confident	84.2	Confident	10 Å²	10	58.6 Å²	58.6	8%	0.083	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-34.6	171.7	0	0	0	0	0	112.7	Y49 I96 C97 R98 S102	Y49-A100 HydrophobicContact CD1-CB 3.29Å; Y49-A100 HydrophobicContact CE1-CB 4.07Å; Y49-A100 HydrophobicContact CG-CB 3.9Å; I96-A100 WeakPolarHBondContact O-CB 3.5Å; I96-A100 PolarHBondContact O-N 3.38Å; C97-A100 WeakPolarHBondContact O-CB 3.44Å; C97-A100 PolarHBondContact O-N 2.98Å; R98-A100 VanDerWaalsContact C-N 3.34Å; A100-S102 VanDerWaalsContact C-N 3.33Å
101	A	74.7	Confident	83.7	Confident	81 Å²	81	60.9 Å²	60.9	67%	0.669	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.8	176.6	0	0	0	0	0	114	C97 R98 A99	C97-A101 PolarHBondContact O-N 3.2Å; R98-A101 PolarHBondContact O-N 2.83Å; A99-A101 VanDerWaalsContact C-N 3.29Å; A99-A101 PolarHBondContact O-N 3.42Å
102	S	73.2	Confident	83.4	Confident	32 Å²	32	63.1 Å²	63.1	22%	0.224	32%	0.32	C	S	.	.	S	Bend	trans	-128.7	150.9	-170.8	-54.2	0	0	0	0	112.5	R98 A99 A100 N239	R98-S102 WeakPolarHBondContact O-CB 3.39Å; R98-S102 PolarHBondContact O-N 3.22Å; R98-S102 PolarHBondContact O-OG 3.38Å; A99-S102 PolarHBondContact O-N 3.35Å; A100-S102 VanDerWaalsContact C-N 3.33Å; S102-N239 WeakPolarHBondContact O-CB 3.1Å; S102-N239 PolarHBondContact O-N 2.92Å
103	T	78.8	Confident	82.9	Confident	56 Å²	56	64.4 Å²	64.4	34%	0.344	33%	0.327	S	S	.	.			trans	-71.7	161.3	160.8	52.4	0	0	0	0	110.1	P105 L241	T103-P105 WeakPolarHBondContact O-CD 3.37Å; T103-L241 WeakPolarHBondContact CG2-O 3.3Å
104	K	81.3	Confident	82.7	Confident	144 Å²	144	62.2 Å²	62.2	63%	0.626	32%	0.321	S	S	*	.			trans	-54.2	114.1	176.8	-173.6	175.3	178.4	178.7	0	110.3	M110 W238	K104-M110 HydrophobicContact CG-CE 4.06Å; K104-W238 HydrophobicContact CB-CB 3.92Å; K104-W238 HydrophobicContact CB-CD2 3.76Å; K104-W238 HydrophobicContact CB-CE3 4.32Å; K104-W238 HydrophobicContact CB-CG 3.53Å; K104-W238 HydrophobicContact CD-CG 4.46Å; K104-W238 HydrophobicContact CG-CD2 4Å; K104-W238 HydrophobicContact CG-CG 3.99Å
105	P	80.1	Confident	82.7	Confident	31 Å²	31	64.6 Å²	64.6	20%	0.201	33%	0.33	C	S	.	.			trans	-69.4	161.8	179.9	25.9	-31.3	0	0	0	111.2	T103 A109 M110 L113 W238	T103-P105 WeakPolarHBondContact O-CD 3.37Å; P105-A109 HydrophobicContact CB-CB 3.62Å; P105-M110 HydrophobicContact CG-CB 4.19Å; P105-M110 HydrophobicContact CG-CE 3.68Å; P105-M110 HydrophobicContact CG-SD 3.92Å; P105-L113 HydrophobicContact CG-CD2 4.31Å; P105-W238 HydrophobicContact CG-CH2 4.09Å; P105-W238 HydrophobicContact CG-CZ3 4.14Å
106	D	81.5	Confident	82.5	Confident	107 Å²	107	66.4 Å²	66.4	57%	0.572	34%	0.342	S	S	*	.			trans	-63.4	172.8	166.8	69.3	38.2	0	0	0	111.7	Q108 A109 M110	D106-Q108 VanDerWaalsContact C-N 3.31Å; D106-Q108 PolarHBondContact O-N 3.3Å; D106-Q108 PolarHBondContact OD1-N 3.39Å; D106-A109 PolarHBondContact O-N 3.04Å; D106-A109 WeakPolarHBondContact OD1-CB 3.31Å; D106-A109 PolarHBondContact OD1-N 3.46Å; D106-M110 VanDerWaalsContact O-CB 3.25Å; D106-M110 WeakPolarHBondContact O-CB 3.48Å; D106-M110 PolarHBondContact O-N 3.09Å
107	Q	77.1	Confident	82.4	Confident	158 Å²	158	66.6 Å²	66.6	74%	0.738	34%	0.343	S	S	*	.	H	α-helix	trans	-61.7	-35.4	-174.2	-167.8	170.6	24.2	0	0	113.5	Q111	Q107-Q111 WeakPolarHBondContact O-CG 3.33Å; Q107-Q111 PolarHBondContact O-N 2.88Å; Q107-Q111 VanDerWaalsContact O-N 3.16Å
108	Q	81.4	Confident	82.5	Confident	144 Å²	144	68 Å²	68	67%	0.673	35%	0.354	S	S	*	.	H	α-helix	trans	-75.2	-43.3	-179.6	-71.2	-173.1	5	0	0	111.4	D106 M110 Q111 K112	D106-Q108 VanDerWaalsContact C-N 3.31Å; D106-Q108 PolarHBondContact O-N 3.3Å; D106-Q108 PolarHBondContact OD1-N 3.39Å; Q108-M110 VanDerWaalsContact C-N 3.31Å; Q108-Q111 PolarHBondContact O-N 2.91Å; Q108-K112 PolarHBondContact O-N 3.26Å
109	A	82.9	Confident	82.8	Confident	16 Å²	16	64.6 Å²	64.6	13%	0.132	35%	0.349	C	S	.	.	H	α-helix	trans	-66.6	-34.5	175.4	0	0	0	0	0	111.5	P105 D106 K112 L113	P105-A109 HydrophobicContact CB-CB 3.62Å; D106-A109 PolarHBondContact O-N 3.04Å; D106-A109 WeakPolarHBondContact OD1-CB 3.31Å; D106-A109 PolarHBondContact OD1-N 3.46Å; A109-K112 PolarHBondContact O-N 3.42Å; A109-L113 WeakPolarHBondContact O-CB 3.19Å; A109-L113 PolarHBondContact O-N 2.83Å
110	M	83.8	Confident	82.9	Confident	32 Å²	32	65 Å²	65	16%	0.158	35%	0.352	C	S	.	.	H	α-helix	trans	-61.4	-45.3	172.9	-170.6	69.6	74.2	0	0	112.1	K104 P105 D106 Q108 K112 L113 L114 W238	K104-M110 HydrophobicContact CG-CE 4.06Å; P105-M110 HydrophobicContact CG-CB 4.19Å; P105-M110 HydrophobicContact CG-CE 3.68Å; P105-M110 HydrophobicContact CG-SD 3.92Å; D106-M110 VanDerWaalsContact O-CB 3.25Å; D106-M110 WeakPolarHBondContact O-CB 3.48Å; D106-M110 PolarHBondContact O-N 3.09Å; Q108-M110 VanDerWaalsContact C-N 3.31Å; M110-K112 VanDerWaalsContact C-N 3.33Å; M110-K112 PolarHBondContact O-N 3.14Å; M110-L113 PolarHBondContact O-N 3.44Å; M110-L114 HydrophobicContact CG-CD1 3.85Å; M110-L114 HydrophobicContact CG-CG 4.45Å; M110-L114 WeakPolarHBondContact O-CG 3.31Å; M110-L114 PolarHBondContact O-N 2.68Å; M110-L114 HydrophobicContact SD-CD1 4.46Å; M110-W238 HydrophobicContact CE-CH2 3.7Å; M110-W238 HydrophobicContact CE-CZ2 3.3Å; M110-W238 HydrophobicContact SD-CH2 3.67Å; M110-W238 HydrophobicContact SD-CZ2 3.64Å
111	Q	84.9	Confident	83.5	Confident	127 Å²	127	66.2 Å²	66.2	59%	0.593	36%	0.357	S	S	*	.	H	α-helix	trans	-59.9	-43.7	177.8	-77.3	176.9	-15.2	0	0	111.7	Q107 Q108 L113 L114 E115	Q107-Q111 WeakPolarHBondContact O-CG 3.33Å; Q107-Q111 PolarHBondContact O-N 2.88Å; Q107-Q111 VanDerWaalsContact O-N 3.16Å; Q108-Q111 PolarHBondContact O-N 2.91Å; Q111-L113 VanDerWaalsContact C-N 3.32Å; Q111-L113 PolarHBondContact O-N 2.65Å; Q111-L114 PolarHBondContact O-N 2.97Å; Q111-E115 PolarHBondContact O-N 2.8Å; Q111-E115 VanDerWaalsContact O-N 3.11Å
112	K	85.8	Confident	84	Confident	90 Å²	90	66.9 Å²	66.9	39%	0.391	35%	0.346	S	S	.	.	H	α-helix	trans	-64.3	-36.1	175.1	-69.4	-178.8	179.3	179.4	0	112.9	Q108 A109 M110 L114 E115	Q108-K112 PolarHBondContact O-N 3.26Å; A109-K112 PolarHBondContact O-N 3.42Å; M110-K112 VanDerWaalsContact C-N 3.33Å; M110-K112 PolarHBondContact O-N 3.14Å; K112-L114 VanDerWaalsContact C-N 3.34Å; K112-E115 WeakPolarHBondContact O-CB 3.18Å
113	L	83.2	Confident	84.6	Confident	28 Å²	28	66 Å²	66	15%	0.147	34%	0.341	C	S	.	.	H	α-helix	trans	-69.9	-33.6	178.9	-172.1	63.3	0	0	0	112	F95 R98 P105 A109 M110 Q111 W238	F95-L113 HydrophobicContact CD2-CD2 4.11Å; F95-L113 HydrophobicContact CD2-CG 3.72Å; F95-L113 HydrophobicContact CE2-CB 4.35Å; F95-L113 HydrophobicContact CE2-CD2 3.64Å; F95-L113 HydrophobicContact CE2-CG 3.63Å; F95-L113 HydrophobicContact CZ-CD2 4.32Å; R98-L113 HydrophobicContact CB-CD1 3.93Å; P105-L113 HydrophobicContact CG-CD2 4.31Å; A109-L113 WeakPolarHBondContact O-CB 3.19Å; A109-L113 PolarHBondContact O-N 2.83Å; M110-L113 PolarHBondContact O-N 3.44Å; Q111-L113 VanDerWaalsContact C-N 3.32Å; Q111-L113 PolarHBondContact O-N 2.65Å; L113-W238 HydrophobicContact CD2-CH2 3.95Å; L113-W238 HydrophobicContact CD2-CZ3 4.15Å
114	L	88.6	Confident	84.9	Confident	30 Å²	30	63.4 Å²	63.4	16%	0.157	33%	0.325	C	S	.	.	H	α-helix	trans	-81.8	-18.4	178.6	-69.3	167.5	0	0	0	113.7	F95 M110 Q111 K112 P116 T117 S118 V175 T176	F95-L114 HydrophobicContact CD2-CD2 3.91Å; F95-L114 HydrophobicContact CE2-CD2 3.41Å; F95-L114 VanDerWaalsContact CE2-CD2 3.41Å; F95-L114 HydrophobicContact CE2-CG 3.97Å; F95-L114 HydrophobicContact CZ-CD2 3.9Å; M110-L114 HydrophobicContact CG-CD1 3.85Å; M110-L114 HydrophobicContact CG-CG 4.45Å; M110-L114 WeakPolarHBondContact O-CG 3.31Å; M110-L114 PolarHBondContact O-N 2.68Å; M110-L114 HydrophobicContact SD-CD1 4.46Å; Q111-L114 PolarHBondContact O-N 2.97Å; K112-L114 VanDerWaalsContact C-N 3.34Å; L114-P116 VanDerWaalsContact C-CD 3.47Å; L114-T117 PolarHBondContact O-N 3.09Å; L114-S118 PolarHBondContact O-N 3.09Å; L114-S118 PolarHBondContact O-OG 2.77Å; L114-V175 HydrophobicContact CD2-CG2 3.57Å; L114-T176 HydrophobicContact CD1-CG2 3.52Å; L114-T176 HydrophobicContact CD2-CG2 4.05Å; L114-T176 HydrophobicContact CG-CG2 4.46Å
115	E	88.9	Confident	85	Confident	105 Å²	105	57.3 Å²	57.3	49%	0.491	30%	0.3	S	S	.	.	H	α-helix	trans	-50.4	-44.1	-174.3	-174	-179	176.7	0	0	114.2	Q111 K112 T117 S118 S119	Q111-E115 PolarHBondContact O-N 2.8Å; Q111-E115 VanDerWaalsContact O-N 3.11Å; K112-E115 WeakPolarHBondContact O-CB 3.18Å; E115-T117 PolarHBondContact O-N 2.98Å; E115-S118 WeakPolarHBondContact CA-OG 3.32Å; E115-S118 PolarHBondContact O-N 3.12Å; E115-S118 PolarHBondContact O-OG 2.96Å; E115-S119 VanDerWaalsContact O-CB 3.23Å; E115-S119 WeakPolarHBondContact O-CB 3.28Å; E115-S119 PolarHBondContact O-N 2.82Å; E115-S119 PolarHBondContact O-OG 3.35Å
116	P	87.2	Confident	85	Confident	42 Å²	42	58.8 Å²	58.8	27%	0.273	31%	0.309	S	S	.	.	H	α-helix	trans	-65.8	-38.2	178	-21.1	34.6	0	0	0	113.1	Q91 L114 S120	Q91-P116 HydrophobicContact CG-CB 4.41Å; L114-P116 VanDerWaalsContact C-CD 3.47Å; P116-S120 PolarHBondContact O-N 3.44Å; P116-S120 VanDerWaalsContact O-N 3.14Å; P116-S120 PolarHBondContact O-OG 2.98Å
117	T	87.7	Confident	85	Confident	6 Å²	6	54 Å²	54	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-70.4	-44.6	177.4	-48.7	0	0	0	0	110.9	L114 E115 S119 S120 I121 V172	L114-T117 PolarHBondContact O-N 3.09Å; E115-T117 PolarHBondContact O-N 2.98Å; T117-S119 VanDerWaalsContact C-N 3.35Å; T117-S119 PolarHBondContact O-N 3.16Å; T117-S120 PolarHBondContact O-N 2.96Å; T117-S120 PolarHBondContact O-OG 3.09Å; T117-I121 HydrophobicContact CG2-CD1 4.28Å; T117-I121 WeakPolarHBondContact O-CG1 3.41Å; T117-I121 PolarHBondContact O-N 3.18Å; T117-I121 VanDerWaalsContact O-N 3.15Å; T117-V172 HydrophobicContact CG2-CG1 3.74Å
118	S	89.2	Confident	85.2	Confident	64 Å²	64	46.6 Å²	46.6	45%	0.448	25%	0.248	S	C	.	.	H	α-helix	trans	-64.3	-40.5	177.1	59.4	0	0	0	0	111.9	L114 E115 S120 I121 E122	L114-S118 PolarHBondContact O-N 3.09Å; L114-S118 PolarHBondContact O-OG 2.77Å; E115-S118 WeakPolarHBondContact CA-OG 3.32Å; E115-S118 PolarHBondContact O-N 3.12Å; E115-S118 PolarHBondContact O-OG 2.96Å; S118-S120 VanDerWaalsContact C-N 3.34Å; S118-S120 PolarHBondContact O-N 3.35Å; S118-I121 PolarHBondContact O-N 3.44Å; S118-E122 WeakPolarHBondContact O-CB 3.47Å; S118-E122 PolarHBondContact O-N 3.46Å
119	S	88.9	Confident	84.8	Confident	54 Å²	54	43.6 Å²	43.6	38%	0.378	23%	0.233	S	C	.	.	H	α-helix	trans	-64.8	-36.6	178.9	-59.2	0	0	0	0	112.5	E115 T117 E122 A123	E115-S119 VanDerWaalsContact O-CB 3.23Å; E115-S119 WeakPolarHBondContact O-CB 3.28Å; E115-S119 PolarHBondContact O-N 2.82Å; E115-S119 PolarHBondContact O-OG 3.35Å; T117-S119 VanDerWaalsContact C-N 3.35Å; T117-S119 PolarHBondContact O-N 3.16Å; S119-E122 PolarHBondContact O-N 3.39Å; S119-A123 WeakPolarHBondContact O-CB 3.46Å; S119-A123 PolarHBondContact O-N 3.33Å
120	S	85.9	Confident	84.3	Confident	9 Å²	9	45.4 Å²	45.4	6%	0.063	25%	0.245	C	C	.	.	H	α-helix	trans	-72.1	-36.6	176.9	49.1	0	0	0	0	112.7	P116 T117 S118 E122 A123 I124	P116-S120 PolarHBondContact O-N 3.44Å; P116-S120 VanDerWaalsContact O-N 3.14Å; P116-S120 PolarHBondContact O-OG 2.98Å; T117-S120 PolarHBondContact O-N 2.96Å; T117-S120 PolarHBondContact O-OG 3.09Å; S118-S120 VanDerWaalsContact C-N 3.34Å; S118-S120 PolarHBondContact O-N 3.35Å; S120-E122 VanDerWaalsContact C-N 3.34Å; S120-A123 PolarHBondContact O-N 3.24Å; S120-I124 PolarHBondContact O-N 3Å; S120-I124 VanDerWaalsContact O-N 3.14Å
121	I	87.7	Confident	83.8	Confident	35 Å²	35	45 Å²	45	18%	0.179	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-42.6	170.2	-65.6	167.1	0	0	0	110.8	T88 T117 S118 I124 S125 I169 V172	T88-I121 HydrophobicContact CG2-CG1 3.79Å; T117-I121 HydrophobicContact CG2-CD1 4.28Å; T117-I121 WeakPolarHBondContact O-CG1 3.41Å; T117-I121 PolarHBondContact O-N 3.18Å; T117-I121 VanDerWaalsContact O-N 3.15Å; S118-I121 PolarHBondContact O-N 3.44Å; I121-I124 PolarHBondContact O-N 3.17Å; I121-S125 PolarHBondContact O-N 2.96Å; I121-S125 PolarHBondContact O-OG 3.1Å; I121-I169 HydrophobicContact CG2-CG2 4.36Å; I121-V172 HydrophobicContact CD1-CB 4.22Å; I121-V172 HydrophobicContact CD1-CG1 4.34Å
122	E	86.8	Confident	82.9	Confident	94 Å²	94	39.9 Å²	39.9	44%	0.439	22%	0.221	S	C	.	.	H	α-helix	trans	-64.7	-41.1	176.2	-172.3	172.8	-171.3	0	0	111.6	S118 S119 S120 I124 S125 V126 V143	S118-E122 WeakPolarHBondContact O-CB 3.47Å; S118-E122 PolarHBondContact O-N 3.46Å; S119-E122 PolarHBondContact O-N 3.39Å; S120-E122 VanDerWaalsContact C-N 3.34Å; E122-I124 VanDerWaalsContact C-N 3.3Å; E122-I124 PolarHBondContact O-N 3.11Å; E122-S125 CarbonylContact O-C 3.55Å; E122-S125 WeakPolarHBondContact O-CA 3.26Å; E122-S125 WeakPolarHBondContact O-CB 3.49Å; E122-S125 PolarHBondContact O-N 2.86Å; E122-V126 HydrophobicContact CG-CG2 4.33Å; E122-V126 WeakPolarHBondContact O-CG2 3.38Å; E122-V126 PolarHBondContact O-N 3.3Å; E122-V143 HydrophobicContact CG-CG2 4Å; E122-V143 WeakPolarHBondContact OE1-CG2 3.22Å
123	A	84	Confident	81.1	Confident	15 Å²	15	40.9 Å²	40.9	12%	0.124	24%	0.237	C	C	.	.	H	α-helix	trans	-59.3	-38.8	176.2	0	0	0	0	0	112.6	L84 S119 S120 S125 V126 F127	L84-A123 HydrophobicContact CD2-CB 4.38Å; S119-A123 WeakPolarHBondContact O-CB 3.46Å; S119-A123 PolarHBondContact O-N 3.33Å; S120-A123 PolarHBondContact O-N 3.24Å; A123-S125 VanDerWaalsContact C-N 3.33Å; A123-V126 PolarHBondContact O-N 2.98Å; A123-F127 VanDerWaalsContact O-CB 3.27Å; A123-F127 WeakPolarHBondContact O-CB 3.32Å; A123-F127 PolarHBondContact O-N 2.93Å
124	I	86.3	Confident	79.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-45.8	171.7	-71.1	170.1	0	0	0	110.5	L81 L84 V85 T88 S120 I121 E122 V126 F127 I128 I165 I169	L81-I124 HydrophobicContact CD1-CG2 4.07Å; L84-I124 HydrophobicContact CB-CD1 4.28Å; L84-I124 HydrophobicContact CB-CG1 3.55Å; L84-I124 HydrophobicContact CD1-CG1 4.45Å; V85-I124 HydrophobicContact CG2-CD1 3.99Å; T88-I124 VanDerWaalsContact OG1-CD1 3.24Å; T88-I124 WeakPolarHBondContact OG1-CD1 3.25Å; S120-I124 PolarHBondContact O-N 3Å; S120-I124 VanDerWaalsContact O-N 3.14Å; I121-I124 PolarHBondContact O-N 3.17Å; E122-I124 VanDerWaalsContact C-N 3.3Å; E122-I124 PolarHBondContact O-N 3.11Å; I124-V126 PolarHBondContact O-N 3.26Å; I124-F127 PolarHBondContact O-N 2.75Å; I124-I128 HydrophobicContact CG2-CD1 3.61Å; I124-I128 HydrophobicContact CG2-CG1 4.35Å; I124-I128 WeakPolarHBondContact O-CB 3.44Å; I124-I128 WeakPolarHBondContact O-CG1 3.28Å; I124-I128 PolarHBondContact O-N 3.48Å; I124-I165 HydrophobicContact CG2-CG2 4.2Å; I124-I169 HydrophobicContact CD1-CD1 3.75Å; I124-I169 HydrophobicContact CD1-CG1 3.64Å
125	S	82.7	Confident	77.2	Confident	16 Å²	16	54.1 Å²	54.1	11%	0.112	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-42.9	-179.8	-58	0	0	0	0	111.7	I121 E122 A123 I128 F129	I121-S125 PolarHBondContact O-N 2.96Å; I121-S125 PolarHBondContact O-OG 3.1Å; E122-S125 CarbonylContact O-C 3.55Å; E122-S125 WeakPolarHBondContact O-CA 3.26Å; E122-S125 WeakPolarHBondContact O-CB 3.49Å; E122-S125 PolarHBondContact O-N 2.86Å; A123-S125 VanDerWaalsContact C-N 3.33Å; S125-I128 PolarHBondContact O-N 3.29Å; S125-F129 WeakPolarHBondContact O-CB 3.36Å; S125-F129 PolarHBondContact O-N 3.2Å
126	V	80.9	Confident	74.7	Confident	63 Å²	63	53.2 Å²	53.2	38%	0.382	31%	0.306	S	S	.	.	H	α-helix	trans	-66.9	-41.2	176.4	173	0	0	0	0	111.8	E122 A123 I124 F129 S130 W259	E122-V126 HydrophobicContact CG-CG2 4.33Å; E122-V126 WeakPolarHBondContact O-CG2 3.38Å; E122-V126 PolarHBondContact O-N 3.3Å; A123-V126 PolarHBondContact O-N 2.98Å; I124-V126 PolarHBondContact O-N 3.26Å; V126-F129 WeakPolarHBondContact O-CB 3.43Å; V126-F129 PolarHBondContact O-N 3.47Å; V126-S130 PolarHBondContact O-N 2.98Å; V126-W259 HydrophobicContact CG1-CE3 4.32Å; V126-W259 HydrophobicContact CG1-CZ3 3.83Å
127	F	81.1	Confident	72.6	Confident	6 Å²	6	55.1 Å²	55.1	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-64.1	-44.9	175.9	171	-103.2	0	0	0	111.9	V77 Q80 L81 L84 A123 I124 F129 S130 C131 L162 W259	V77-F127 HydrophobicContact CG1-CZ 4.31Å; V77-F127 WeakPolarHBondContact O-CZ 3.39Å; Q80-F127 HydrophobicContact CB-CE1 4.1Å; Q80-F127 HydrophobicContact CB-CE2 3.7Å; Q80-F127 HydrophobicContact CB-CZ 3.4Å; Q80-F127 HydrophobicContact CG-CE2 4.42Å; Q80-F127 HydrophobicContact CG-CZ 4.43Å; Q80-F127 VanDerWaalsContact OE1-CE2 3.22Å; L81-F127 HydrophobicContact CB-CE1 3.98Å; L81-F127 HydrophobicContact CD1-CD1 4.33Å; L84-F127 HydrophobicContact CD1-CB 3.41Å; L84-F127 VanDerWaalsContact CD1-CB 3.41Å; L84-F127 HydrophobicContact CD1-CD1 3.73Å; L84-F127 HydrophobicContact CD1-CD2 4.21Å; L84-F127 HydrophobicContact CD1-CG 3.49Å; L84-F127 VanDerWaalsContact CD1-CG 3.49Å; A123-F127 VanDerWaalsContact O-CB 3.27Å; A123-F127 WeakPolarHBondContact O-CB 3.32Å; A123-F127 PolarHBondContact O-N 2.93Å; I124-F127 PolarHBondContact O-N 2.75Å; F127-F129 VanDerWaalsContact C-N 3.25Å; F127-F129 PolarHBondContact O-N 2.74Å; F127-S130 PolarHBondContact O-N 2.89Å; F127-S130 VanDerWaalsContact O-N 3.15Å; F127-S130 PolarHBondContact O-OG 3.06Å; F127-C131 WeakPolarHBondContact CZ-SG 3.43Å; F127-C131 PolarHBondContact O-N 3.11Å; F127-C131 VanDerWaalsContact O-N 3.08Å; F127-C131 PolarHBondContact O-SG 3.37Å; F127-L162 HydrophobicContact CE1-CD2 4.21Å; F127-W259 HydrophobicContact CD2-CZ2 4.17Å
128	I	81.4	Confident	70.1	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-41.6	176.3	-71.6	171.2	0	0	0	109.9	L81 I124 S125 C131 F132 L162	L81-I128 HydrophobicContact CD1-CD1 3.85Å; L81-I128 HydrophobicContact CD1-CG1 3.9Å; I124-I128 HydrophobicContact CG2-CD1 3.61Å; I124-I128 HydrophobicContact CG2-CG1 4.35Å; I124-I128 WeakPolarHBondContact O-CB 3.44Å; I124-I128 WeakPolarHBondContact O-CG1 3.28Å; I124-I128 PolarHBondContact O-N 3.48Å; S125-I128 PolarHBondContact O-N 3.29Å; I128-C131 WeakPolarHBondContact O-CB 3.1Å; I128-C131 PolarHBondContact O-N 3.35Å; I128-F132 HydrophobicContact CG2-CD2 4.21Å; I128-F132 HydrophobicContact CG2-CE2 3.45Å; I128-F132 VanDerWaalsContact CG2-CE2 3.45Å; I128-F132 HydrophobicContact CG2-CZ 4.24Å; I128-F132 WeakPolarHBondContact O-CD2 3.49Å; I128-F132 VanDerWaalsContact O-CE2 3.3Å; I128-F132 WeakPolarHBondContact O-CE2 3.31Å; I128-L162 WeakPolarHBondContact CD1-O 3.3Å; I128-L162 HydrophobicContact CG1-CB 4.26Å; I128-L162 HydrophobicContact CG1-CD2 3.94Å; I128-L162 HydrophobicContact CG2-CB 4.12Å
129	F	72.8	Confident	67.9	Low	81 Å²	81	62.6 Å²	62.6	36%	0.355	36%	0.364	S	S	.	.	H	α-helix	trans	-60	-44.5	173.7	177.7	-84.1	0	0	0	112.5	S125 V126 F127 C131 F132 L149	S125-F129 WeakPolarHBondContact O-CB 3.36Å; S125-F129 PolarHBondContact O-N 3.2Å; V126-F129 WeakPolarHBondContact O-CB 3.43Å; V126-F129 PolarHBondContact O-N 3.47Å; F127-F129 VanDerWaalsContact C-N 3.25Å; F127-F129 PolarHBondContact O-N 2.74Å; F129-C131 PolarHBondContact O-N 3.21Å; F129-F132 PolarHBondContact O-N 3.43Å; F129-F132 VanDerWaalsContact O-N 3.08Å; F129-L149 HydrophobicContact CD2-CD1 3.67Å; F129-L149 HydrophobicContact CE2-CD1 3.11Å; F129-L149 HydrophobicContact CZ-CD1 4.01Å
130	S	73.2	Confident	65.7	Low	54 Å²	54	64 Å²	64	38%	0.378	38%	0.378	S	S	.	.	H	α-helix	trans	-66.4	-26.2	179.9	76.3	0	0	0	0	113.1	V126 F127 F132	V126-S130 PolarHBondContact O-N 2.98Å; F127-S130 PolarHBondContact O-N 2.89Å; F127-S130 VanDerWaalsContact O-N 3.15Å; F127-S130 PolarHBondContact O-OG 3.06Å; S130-F132 PolarHBondContact O-N 3.1Å
131	C	72	Confident	63.7	Low	25 Å²	25	69.3 Å²	69.3	17%	0.169	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-5.5	174.6	-65.9	0	0	0	0	113.9	V77 F127 I128 F129 P133 L162	V77-C131 HydrophobicContact CG1-CB 4.36Å; F127-C131 WeakPolarHBondContact CZ-SG 3.43Å; F127-C131 PolarHBondContact O-N 3.11Å; F127-C131 VanDerWaalsContact O-N 3.08Å; F127-C131 PolarHBondContact O-SG 3.37Å; I128-C131 WeakPolarHBondContact O-CB 3.1Å; I128-C131 PolarHBondContact O-N 3.35Å; F129-C131 PolarHBondContact O-N 3.21Å; C131-P133 WeakPolarHBondContact O-CD 3.47Å; C131-L162 HydrophobicContact CB-CD1 3.88Å
132	F	67.1	Low	61.5	Low	19 Å²	19	70.2 Å²	70.2	8%	0.083	42%	0.418	C	S	.	.	S	Bend	trans	-112.2	73.6	179	-63.2	-49.7	0	0	0	111.2	I128 F129 S130 R134 N153 F159 L162	I128-F132 HydrophobicContact CG2-CD2 4.21Å; I128-F132 HydrophobicContact CG2-CE2 3.45Å; I128-F132 VanDerWaalsContact CG2-CE2 3.45Å; I128-F132 HydrophobicContact CG2-CZ 4.24Å; I128-F132 WeakPolarHBondContact O-CD2 3.49Å; I128-F132 VanDerWaalsContact O-CE2 3.3Å; I128-F132 WeakPolarHBondContact O-CE2 3.31Å; F129-F132 PolarHBondContact O-N 3.43Å; F129-F132 VanDerWaalsContact O-N 3.08Å; S130-F132 PolarHBondContact O-N 3.1Å; F132-R134 PolarHBondContact O-N 3.02Å; F132-N153 HydrophobicContact CB-CB 3.85Å; F132-N153 WeakPolarHBondContact CB-ND2 3.34Å; F132-N153 HydrophobicContact CD1-CB 3.75Å; F132-N153 HydrophobicContact CG-CB 4.01Å; F132-N153 PolarHBondContact O-ND2 3.28Å; F132-F159 AromaticContact CE1-CD2 3.56Å; F132-F159 HydrophobicContact CE1-CD2 3.56Å; F132-F159 HydrophobicContact CE1-CE2 4.26Å; F132-F159 AromaticContact CZ-CD2 3.67Å; F132-F159 HydrophobicContact CZ-CD2 3.67Å; F132-F159 HydrophobicContact CZ-CE2 4.07Å; F132-L162 HydrophobicContact CE1-CD1 4.02Å; F132-L162 HydrophobicContact CZ-CB 4.11Å; F132-L162 HydrophobicContact CZ-CD1 3.81Å
133	P	47.6	Very low	59.6	Low	111 Å²	111	69.7 Å²	69.7	72%	0.721	42%	0.421	S	S	*	.			trans	-76.5	99.1	-176.1	30.8	-33.6	0	0	0	110.1	C131	C131-P133 WeakPolarHBondContact O-CD 3.47Å
134	R	46.7	Very low	57.7	Low	190 Å²	190	77.3 Å²	77.3	72%	0.717	45%	0.452	S	S	*	.	S	Bend	trans	-150.3	0	156.9	-132	179.1	-178.6	115.4	2.1	118.6	F132	F132-R134 PolarHBondContact O-N 3.02Å
135	F	42.3	Very low	55.9	Low	145 Å²	145	80.7 Å²	80.7	64%	0.636	47%	0.467	S	S	*	.			trans	-141.1	120.9	168.9	-95.3	-87.8	0	0	0	110.2	L137	F135-L137 HydrophobicContact CB-CD1 4.44Å; F135-L137 PolarHBondContact O-N 3.06Å
136	G	37.2	Very low	54.3	Low	87 Å²	87	82 Å²	82	90%	0.897	47%	0.472	S	S	*	.			trans	-70.5	66.6	174.8	0	0	0	0	0	111.7
137	L	42.2	Very low	53	Low	82 Å²	82	83.8 Å²	83.8	43%	0.429	48%	0.476	S	S	.	.			trans	-82.5	131.1	171.5	-82.7	158.5	0	0	0	109.3	F135	F135-L137 HydrophobicContact CB-CD1 4.44Å; F135-L137 PolarHBondContact O-N 3.06Å
138	P	36.9	Very low	51.4	Low	90 Å²	90	85.7 Å²	85.7	58%	0.584	49%	0.493	S	S	*	.			trans	-58.9	142.1	175.6	-20.8	31.3	0	0	0	111	A140	P138-A140 PolarHBondContact O-N 3.04Å
139	S	42	Very low	49.4	Very low	136 Å²	136	87 Å²	87	95%	0.951	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	7.2	-177.6	55.9	0	0	0	0	116
140	A	43.5	Very low	48.3	Very low	83 Å²	83	84 Å²	84	69%	0.686	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-6.8	-175.7	0	0	0	0	0	114.4	P138	P138-A140 PolarHBondContact O-N 3.04Å
141	F	43.9	Very low	47.1	Very low	122 Å²	122	86.6 Å²	86.6	54%	0.535	49%	0.493	S	S	.	.	S	Bend	trans	-109.1	91.2	-176.6	-79.3	-77.3	0	0	0	111.4	E561	F141-E561 VanDerWaalsContact CB-OE1 3.31Å; F141-E561 WeakPolarHBondContact CB-OE1 3.36Å; F141-E561 HydrophobicContact CD1-CG 4.15Å; F141-E561 WeakPolarHBondContact CD1-OE1 3.42Å; F141-E561 WeakPolarHBondContact CD1-OE2 3.42Å; F141-E561 HydrophobicContact CE1-CB 4.47Å; F141-E561 HydrophobicContact CE1-CG 4.02Å; F141-E561 WeakPolarHBondContact CE1-OE2 3.1Å; F141-E561 WeakPolarHBondContact CG-OE1 3.35Å
142	G	41.1	Very low	45.8	Very low	53 Å²	53	88.8 Å²	88.8	55%	0.546	51%	0.513	S	S	.	.			trans	-67.4	151.1	-175.2	0	0	0	0	0	114.7	F144	G142-F144 PolarHBondContact O-N 3.46Å
143	V	45.7	Very low	44.8	Very low	83 Å²	83	88.2 Å²	88.2	50%	0.503	51%	0.511	S	S	.	.	S	Bend	trans	43	-27.3	155.4	-166.5	0	0	0	0	120.8	E122 F145	E122-V143 HydrophobicContact CG-CG2 4Å; E122-V143 WeakPolarHBondContact OE1-CG2 3.22Å; V143-F145 VanDerWaalsContact C-N 3.33Å; V143-F145 PolarHBondContact O-N 3.05Å
144	F	45	Very low	45.2	Very low	176 Å²	176	89.5 Å²	89.5	77%	0.772	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-7	-172.1	-120.1	-91.7	0	0	0	115.4	G142	G142-F144 PolarHBondContact O-N 3.46Å
145	F	49.2	Very low	45.6	Very low	70 Å²	70	85.4 Å²	85.4	31%	0.307	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	10.7	-171.7	-93.5	-89.7	0	0	0	116.1	V143 E147 L149 E561	V143-F145 VanDerWaalsContact C-N 3.33Å; V143-F145 PolarHBondContact O-N 3.05Å; F145-E147 PolarHBondContact O-N 3.08Å; F145-L149 HydrophobicContact CB-CD1 4.42Å; F145-E561 VanDerWaalsContact CE2-CD 3.5Å; F145-E561 HydrophobicContact CE2-CG 4.06Å; F145-E561 WeakPolarHBondContact CE2-OE1 3.43Å; F145-E561 HydrophobicContact CZ-CG 4.31Å
146	L	48.8	Very low	47	Very low	44 Å²	44	80.2 Å²	80.2	23%	0.23	48%	0.484	C	S	.	.	H	α-helix	trans	-60.2	-41.2	-170.9	-72.8	169.4	0	0	0	114.6	K150	L146-K150 VanDerWaalsContact O-CG 3.32Å; L146-K150 WeakPolarHBondContact O-CG 3.41Å; L146-K150 PolarHBondContact O-N 2.77Å
147	E	52.6	Low	48.8	Very low	100 Å²	100	81.7 Å²	81.7	47%	0.467	47%	0.47	S	S	.	.	H	α-helix	trans	-76.3	-40.9	-172.1	-71	173.7	140.1	0	0	113.2	F145 L149 E151 Y521	F145-E147 PolarHBondContact O-N 3.08Å; E147-L149 VanDerWaalsContact C-N 3.26Å; E147-L149 PolarHBondContact O-N 3.39Å; E147-E151 PolarHBondContact O-N 3.08Å; E147-Y521 HydrophobicContact CB-CD1 4.18Å; E147-Y521 VanDerWaalsContact CD-CD1 3.42Å; E147-Y521 HydrophobicContact CG-CD1 4.38Å; E147-Y521 HydrophobicContact CG-CE1 4.4Å; E147-Y521 WeakPolarHBondContact OE1-CE1 3.13Å; E147-Y521 WeakPolarHBondContact OE2-CD1 3.49Å; E147-Y521 WeakPolarHBondContact OE2-CE1 3.17Å
148	A	47.4	Very low	50.9	Low	46 Å²	46	79.5 Å²	79.5	38%	0.38	46%	0.457	S	S	.	.	H	α-helix	trans	-64.2	-33	-179.1	0	0	0	0	0	112.2
149	L	39.9	Very low	53.3	Low	31 Å²	31	75.6 Å²	75.6	16%	0.162	43%	0.431	C	S	.	.	H	α-helix	trans	-87.7	-31.6	-177.4	-70.8	171.3	0	0	0	113.8	F129 F145 E147 E151 A152 N153	F129-L149 HydrophobicContact CD2-CD1 3.67Å; F129-L149 HydrophobicContact CE2-CD1 3.11Å; F129-L149 HydrophobicContact CZ-CD1 4.01Å; F145-L149 HydrophobicContact CB-CD1 4.42Å; E147-L149 VanDerWaalsContact C-N 3.26Å; E147-L149 PolarHBondContact O-N 3.39Å; L149-E151 PolarHBondContact O-N 2.81Å; L149-A152 PolarHBondContact O-N 3.38Å; L149-N153 PolarHBondContact O-N 2.83Å
150	K	49.9	Very low	55.6	Low	16 Å²	16	70.1 Å²	70.1	7%	0.07	39%	0.391	C	S	.	.	H	α-helix	trans	-54.4	-43.6	168.4	-78.8	174.8	-174.9	170.7	0	110.3	L146 A152 F159 S166 E167	L146-K150 VanDerWaalsContact O-CG 3.32Å; L146-K150 WeakPolarHBondContact O-CG 3.41Å; L146-K150 PolarHBondContact O-N 2.77Å; K150-A152 PolarHBondContact O-N 2.86Å; K150-F159 HydrophobicContact CB-CE2 4.06Å; K150-F159 HydrophobicContact CB-CZ 4.15Å; K150-F159 HydrophobicContact CG-CE2 4.49Å; K150-F159 WeakPolarHBondContact O-CE2 3.26Å; K150-F159 WeakPolarHBondContact O-CZ 3.4Å; K150-S166 VanDerWaalsContact CE-OG 3.25Å; K150-S166 WeakPolarHBondContact CE-OG 3.29Å; K150-S166 PolarHBondContact NZ-OG 3.47Å; K150-E167 IonicContact NZ-OE1 3.02Å; K150-E167 PolarHBondContact NZ-OE1 3.27Å
151	E	48.6	Very low	58	Low	110 Å²	110	66.2 Å²	66.2	51%	0.514	36%	0.359	S	S	.	.	H	α-helix	trans	-70	-31.4	-178.2	-170	61.4	-172.1	0	0	113.2	E147 L149 R154	E147-E151 PolarHBondContact O-N 3.08Å; L149-E151 PolarHBondContact O-N 2.81Å; E151-R154 VanDerWaalsContact CD-CZ 3.49Å; E151-R154 IonicContact OE1-CZ 2.82Å; E151-R154 IonicContact OE1-NE 3.85Å; E151-R154 PolarHBondContact OE1-NE 3.22Å; E151-R154 IonicContact OE1-NH1 2.69Å; E151-R154 IonicContact OE1-NH2 3.89Å; E151-R154 PolarHBondContact OE1-NH2 3.28Å; E151-R154 IonicContact OE2-CZ 3.66Å; E151-R154 VanDerWaalsContact OE2-CZ 3.26Å; E151-R154 IonicContact OE2-NE 3.45Å; E151-R154 PolarHBondContact OE2-NE 3.47Å; E151-R154 VanDerWaalsContact OE2-NE 3.13Å; E151-R154 IonicContact OE2-NH2 3.69Å; E151-R154 PolarHBondContact OE2-NH2 3.28Å
152	A	43.5	Very low	60.3	Low	70 Å²	70	60.4 Å²	60.4	58%	0.579	33%	0.333	S	S	*	.	H	α-helix	trans	-75.4	-22.1	-178.7	0	0	0	0	0	114.2	L149 K150	L149-A152 PolarHBondContact O-N 3.38Å; K150-A152 PolarHBondContact O-N 2.86Å
153	N	47.2	Very low	62.6	Low	8 Å²	8	57.9 Å²	57.9	4%	0.043	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	37.5	-169	-78.2	-43.9	0	0	0	114.7	F132 L149 S155	F132-N153 HydrophobicContact CB-CB 3.85Å; F132-N153 WeakPolarHBondContact CB-ND2 3.34Å; F132-N153 HydrophobicContact CD1-CB 3.75Å; F132-N153 HydrophobicContact CG-CB 4.01Å; F132-N153 PolarHBondContact O-ND2 3.28Å; L149-N153 PolarHBondContact O-N 2.83Å; N153-S155 PolarHBondContact O-N 3.13Å
154	R	55.1	Low	65	Low	138 Å²	138	53.9 Å²	53.9	52%	0.521	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-5.8	175.4	-71.4	-177.7	173.7	-176.4	-1.6	115.7	E151 F159	E151-R154 VanDerWaalsContact CD-CZ 3.49Å; E151-R154 IonicContact OE1-CZ 2.82Å; E151-R154 IonicContact OE1-NE 3.85Å; E151-R154 PolarHBondContact OE1-NE 3.22Å; E151-R154 IonicContact OE1-NH1 2.69Å; E151-R154 IonicContact OE1-NH2 3.89Å; E151-R154 PolarHBondContact OE1-NH2 3.28Å; E151-R154 IonicContact OE2-CZ 3.66Å; E151-R154 VanDerWaalsContact OE2-CZ 3.26Å; E151-R154 IonicContact OE2-NE 3.45Å; E151-R154 PolarHBondContact OE2-NE 3.47Å; E151-R154 VanDerWaalsContact OE2-NE 3.13Å; E151-R154 IonicContact OE2-NH2 3.69Å; E151-R154 PolarHBondContact OE2-NH2 3.28Å; R154-F159 HydrophobicContact CG-CE1 4.27Å; R154-F159 HydrophobicContact CG-CZ 4.37Å
155	S	56.2	Low	67.3	Low	104 Å²	104	45.5 Å²	45.5	73%	0.727	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.1	-177	56.3	0	0	0	0	114.8	N153	N153-S155 PolarHBondContact O-N 3.13Å
156	S	70.5	Confident	69.3	Low	36 Å²	36	42.9 Å²	42.9	25%	0.252	24%	0.236	S	C	.	.			trans	-71.6	129.3	176.5	164.8	0	0	0	0	111.2	F158 F159	S156-F158 PolarHBondContact O-N 3.48Å; S156-F158 VanDerWaalsContact O-N 3.15Å; S156-F158 PolarHBondContact OG-N 3.03Å; S156-F159 WeakPolarHBondContact O-CB 3.15Å; S156-F159 PolarHBondContact O-N 2.89Å; S156-F159 PolarHBondContact OG-N 3.34Å
157	L	75.9	Confident	71.2	Confident	117 Å²	117	43.4 Å²	43.4	61%	0.613	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-34.2	176.3	-177.7	67.3	0	0	0	112.1	F203	L157-F203 HydrophobicContact CD1-CZ 4.24Å; L157-F203 HydrophobicContact CG-CZ 4.49Å
158	F	86.8	Confident	73.3	Confident	36 Å²	36	38.7 Å²	38.7	16%	0.158	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	13.2	-177.7	-51.1	-56.5	0	0	0	113	I74 V77 V78 S156 N160 H161 L162 H210	I74-F158 HydrophobicContact CG2-CD1 4.34Å; I74-F158 HydrophobicContact CG2-CE1 3.82Å; I74-F158 HydrophobicContact CG2-CZ 4.3Å; V77-F158 HydrophobicContact CB-CD2 4.34Å; V78-F158 HydrophobicContact CG2-CB 3.84Å; V78-F158 HydrophobicContact CG2-CD1 3.76Å; V78-F158 HydrophobicContact CG2-CD2 3.97Å; V78-F158 HydrophobicContact CG2-CE1 4.31Å; V78-F158 HydrophobicContact CG2-CE2 4.47Å; V78-F158 HydrophobicContact CG2-CG 3.57Å; S156-F158 PolarHBondContact O-N 3.48Å; S156-F158 VanDerWaalsContact O-N 3.15Å; S156-F158 PolarHBondContact OG-N 3.03Å; F158-N160 VanDerWaalsContact C-N 3.26Å; F158-N160 PolarHBondContact O-N 2.78Å; F158-H161 HydrophobicContact CB-CB 4.37Å; F158-H161 WeakPolarHBondContact O-CA 3.29Å; F158-H161 WeakPolarHBondContact O-CB 3.25Å; F158-H161 PolarHBondContact O-N 2.98Å; F158-L162 PolarHBondContact O-N 2.69Å; F158-H210 AromaticContact CE1-CE1 3.82Å
159	F	86.4	Confident	75.5	Confident	9 Å²	9	36.6 Å²	36.6	4%	0.039	20%	0.198	C	C	.	.	H	α-helix	trans	-49	-46.8	179.1	173.5	-100.8	0	0	0	112.7	F132 K150 R154 S156 H161 S163 F195	F132-F159 AromaticContact CE1-CD2 3.56Å; F132-F159 HydrophobicContact CE1-CD2 3.56Å; F132-F159 HydrophobicContact CE1-CE2 4.26Å; F132-F159 AromaticContact CZ-CD2 3.67Å; F132-F159 HydrophobicContact CZ-CD2 3.67Å; F132-F159 HydrophobicContact CZ-CE2 4.07Å; K150-F159 HydrophobicContact CB-CE2 4.06Å; K150-F159 HydrophobicContact CB-CZ 4.15Å; K150-F159 HydrophobicContact CG-CE2 4.49Å; K150-F159 WeakPolarHBondContact O-CE2 3.26Å; K150-F159 WeakPolarHBondContact O-CZ 3.4Å; R154-F159 HydrophobicContact CG-CE1 4.27Å; R154-F159 HydrophobicContact CG-CZ 4.37Å; S156-F159 WeakPolarHBondContact O-CB 3.15Å; S156-F159 PolarHBondContact O-N 2.89Å; S156-F159 PolarHBondContact OG-N 3.34Å; F159-H161 VanDerWaalsContact C-N 3.34Å; F159-H161 PolarHBondContact O-N 3.33Å; F159-S163 WeakPolarHBondContact CE2-OG 3.28Å; F159-S163 WeakPolarHBondContact CZ-OG 3.31Å; F159-S163 VanDerWaalsContact O-CB 3.26Å; F159-S163 WeakPolarHBondContact O-CB 3.33Å; F159-S163 PolarHBondContact O-N 2.7Å; F159-S163 PolarHBondContact O-OG 3.44Å; F159-F195 AromaticContact CE1-CE1 3.98Å; F159-F195 HydrophobicContact CE1-CE1 3.98Å; F159-F195 HydrophobicContact CZ-CE1 4.43Å
160	N	91.2	Very high	78	Confident	20 Å²	20	37.2 Å²	37.2	11%	0.107	21%	0.205	C	C	.	.	H	α-helix	trans	-68.3	-31.6	179.7	-65.9	-47.2	0	0	0	112.4	F158 A164 F195 R198 I199 D202	F158-N160 VanDerWaalsContact C-N 3.26Å; F158-N160 PolarHBondContact O-N 2.78Å; N160-A164 VanDerWaalsContact O-CB 3.29Å; N160-A164 WeakPolarHBondContact O-CB 3.34Å; N160-A164 PolarHBondContact O-N 3.5Å; N160-F195 WeakPolarHBondContact O-CB 2.83Å; N160-R198 HydrophobicContact CB-CB 4.48Å; N160-I199 HydrophobicContact CB-CD1 4.3Å; N160-I199 HydrophobicContact CB-CG1 3.67Å; N160-D202 PolarHBondContact ND2-OD2 2.94Å
161	H	93.5	Very high	80.1	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-68.1	-50	177.4	-64.8	72.1	0	0	0	110.4	V78 F158 F159 S163 A164 I165 I199 F203 H210 F213	V78-H161 HydrophobicContact CG2-CB 4.49Å; F158-H161 HydrophobicContact CB-CB 4.37Å; F158-H161 WeakPolarHBondContact O-CA 3.29Å; F158-H161 WeakPolarHBondContact O-CB 3.25Å; F158-H161 PolarHBondContact O-N 2.98Å; F159-H161 VanDerWaalsContact C-N 3.34Å; F159-H161 PolarHBondContact O-N 3.33Å; H161-S163 VanDerWaalsContact C-N 3.35Å; H161-S163 PolarHBondContact O-N 2.9Å; H161-A164 PolarHBondContact O-N 2.78Å; H161-I165 PolarHBondContact O-N 2.83Å; H161-I199 HydrophobicContact CB-CD1 4.31Å; H161-F203 AromaticContact CE1-CE2 3.93Å; H161-H210 AromaticContact CE1-CE1 3.96Å; H161-H210 AromaticContact CE1-ND1 3.22Å; H161-H210 PolarHBondContact CE1-ND1 3.29Å; H161-H210 AromaticContact NE2-CE1 3.86Å; H161-H210 AromaticContact NE2-CG 3.82Å; H161-H210 AromaticContact NE2-ND1 2.89Å; H161-H210 PolarHBondContact NE2-ND1 2.98Å; H161-F213 HydrophobicContact CB-CE1 4.16Å; H161-F213 HydrophobicContact CB-CE2 4.45Å; H161-F213 HydrophobicContact CB-CZ 3.92Å; H161-F213 AromaticContact CD2-CD1 3.52Å; H161-F213 AromaticContact CD2-CD2 3.95Å; H161-F213 AromaticContact CD2-CE1 3.61Å; H161-F213 AromaticContact CD2-CG 3.72Å; H161-F213 AromaticContact CD2-CZ 3.85Å
162	L	91.6	Very high	82.3	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-45.1	177.2	-64	168.8	0	0	0	110.9	V77 L81 F127 I128 C131 F132 F158 I165 S166	V77-L162 HydrophobicContact CG1-CD1 4.15Å; V77-L162 HydrophobicContact CG1-CD2 4.13Å; L81-L162 HydrophobicContact CB-CD2 4.33Å; L81-L162 HydrophobicContact CD1-CD2 4.16Å; L81-L162 HydrophobicContact CD2-CD2 3.85Å; L81-L162 HydrophobicContact CG-CD2 4.34Å; F127-L162 HydrophobicContact CE1-CD2 4.21Å; I128-L162 WeakPolarHBondContact CD1-O 3.3Å; I128-L162 HydrophobicContact CG1-CB 4.26Å; I128-L162 HydrophobicContact CG1-CD2 3.94Å; I128-L162 HydrophobicContact CG2-CB 4.12Å; C131-L162 HydrophobicContact CB-CD1 3.88Å; F132-L162 HydrophobicContact CE1-CD1 4.02Å; F132-L162 HydrophobicContact CZ-CB 4.11Å; F132-L162 HydrophobicContact CZ-CD1 3.81Å; F158-L162 PolarHBondContact O-N 2.69Å; L162-I165 PolarHBondContact O-N 3.23Å; L162-S166 WeakPolarHBondContact O-CB 3.36Å; L162-S166 PolarHBondContact O-N 3.4Å
163	S	90.1	Very high	84.7	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.8	-42.2	-179.9	-59.2	0	0	0	0	112.2	F159 H161 I165 S166 E167 F195	F159-S163 WeakPolarHBondContact CE2-OG 3.28Å; F159-S163 WeakPolarHBondContact CZ-OG 3.31Å; F159-S163 VanDerWaalsContact O-CB 3.26Å; F159-S163 WeakPolarHBondContact O-CB 3.33Å; F159-S163 PolarHBondContact O-N 2.7Å; F159-S163 PolarHBondContact O-OG 3.44Å; H161-S163 VanDerWaalsContact C-N 3.35Å; H161-S163 PolarHBondContact O-N 2.9Å; S163-I165 PolarHBondContact O-N 3.01Å; S163-S166 PolarHBondContact O-N 3.47Å; S163-E167 WeakPolarHBondContact O-CG 3.34Å; S163-E167 PolarHBondContact O-N 3.11Å; S163-F195 VanDerWaalsContact CB-CD1 3.48Å; S163-F195 VanDerWaalsContact CB-CE1 3.5Å
164	A	94.6	Very high	86.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57.2	-46.9	176.7	0	0	0	0	0	112.3	N160 H161 S168 A192 F195 L196	N160-A164 VanDerWaalsContact O-CB 3.29Å; N160-A164 WeakPolarHBondContact O-CB 3.34Å; N160-A164 PolarHBondContact O-N 3.5Å; H161-A164 PolarHBondContact O-N 2.78Å; A164-S168 PolarHBondContact O-N 3.48Å; A164-S168 PolarHBondContact O-OG 3.45Å; A164-A192 HydrophobicContact CB-CB 4.41Å; A164-A192 WeakPolarHBondContact O-CB 3.35Å; A164-F195 HydrophobicContact CB-CB 3.79Å; A164-L196 HydrophobicContact CB-CD2 3.72Å; A164-L196 HydrophobicContact CB-CG 4.03Å
165	I	95	Very high	88.6	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.9	-45.2	176.7	-61.5	-49.6	0	0	0	110.6	F67 L81 V85 I124 H161 L162 S163 E167 S168 I169 F213 W217	F67-I165 HydrophobicContact CE1-CD1 4.44Å; F67-I165 HydrophobicContact CZ-CD1 3.91Å; L81-I165 HydrophobicContact CD1-CB 4.27Å; L81-I165 HydrophobicContact CD1-CG2 3.99Å; L81-I165 HydrophobicContact CD2-CB 4.02Å; L81-I165 HydrophobicContact CD2-CG1 3.57Å; L81-I165 HydrophobicContact CD2-CG2 4.49Å; L81-I165 HydrophobicContact CG-CB 4.44Å; L81-I165 HydrophobicContact CG-CG1 4.22Å; L81-I165 HydrophobicContact CG-CG2 4.38Å; V85-I165 HydrophobicContact CG2-CG2 3.82Å; I124-I165 HydrophobicContact CG2-CG2 4.2Å; H161-I165 PolarHBondContact O-N 2.83Å; L162-I165 PolarHBondContact O-N 3.23Å; S163-I165 PolarHBondContact O-N 3.01Å; I165-E167 VanDerWaalsContact C-N 3.3Å; I165-E167 PolarHBondContact O-N 2.79Å; I165-S168 PolarHBondContact O-N 3.33Å; I165-S168 VanDerWaalsContact O-N 3.13Å; I165-I169 HydrophobicContact CG2-CB 4.26Å; I165-I169 VanDerWaalsContact O-CB 3.26Å; I165-I169 WeakPolarHBondContact O-CB 3.41Å; I165-I169 WeakPolarHBondContact O-CG2 3.2Å; I165-I169 PolarHBondContact O-N 3.14Å; I165-F213 HydrophobicContact CD1-CZ 4.12Å; I165-F213 HydrophobicContact CG1-CZ 4.03Å; I165-W217 HydrophobicContact CD1-CD2 3.33Å; I165-W217 HydrophobicContact CD1-CE3 3.76Å; I165-W217 HydrophobicContact CD1-CG 3.72Å; I165-W217 HydrophobicContact CD1-CH2 4.15Å; I165-W217 HydrophobicContact CD1-CZ2 3.74Å; I165-W217 HydrophobicContact CD1-CZ3 4.16Å
166	S	90.5	Very high	90.2	Very high	14 Å²	14	22 Å²	22	10%	0.098	13%	0.129	C	C	.	.	H	α-helix	trans	-58.5	-38.2	179.9	179	0	0	0	0	113.6	K150 L162 S163 S168	K150-S166 VanDerWaalsContact CE-OG 3.25Å; K150-S166 WeakPolarHBondContact CE-OG 3.29Å; K150-S166 PolarHBondContact NZ-OG 3.47Å; L162-S166 WeakPolarHBondContact O-CB 3.36Å; L162-S166 PolarHBondContact O-N 3.4Å; S163-S166 PolarHBondContact O-N 3.47Å; S166-S168 VanDerWaalsContact C-N 3.32Å
167	E	89.3	Confident	91	Very high	56 Å²	56	22 Å²	22	26%	0.262	13%	0.127	S	C	.	.	H	α-helix	trans	-74.1	-21.3	179.6	-67.3	-52.6	138.9	0	0	114	K150 S163 I165 S191 F195	K150-E167 IonicContact NZ-OE1 3.02Å; K150-E167 PolarHBondContact NZ-OE1 3.27Å; S163-E167 WeakPolarHBondContact O-CG 3.34Å; S163-E167 PolarHBondContact O-N 3.11Å; I165-E167 VanDerWaalsContact C-N 3.3Å; I165-E167 PolarHBondContact O-N 2.79Å; E167-S191 PolarHBondContact O-OG 3.25Å; E167-F195 HydrophobicContact CG-CD2 3.96Å; E167-F195 HydrophobicContact CG-CE2 3.62Å
168	S	95.4	Very high	91.5	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-118.3	-15.9	-169.4	56.1	0	0	0	0	114.9	A164 I165 S166 S170 A171 M188 W217	A164-S168 PolarHBondContact O-N 3.48Å; A164-S168 PolarHBondContact O-OG 3.45Å; I165-S168 PolarHBondContact O-N 3.33Å; I165-S168 VanDerWaalsContact O-N 3.13Å; S166-S168 VanDerWaalsContact C-N 3.32Å; S168-S170 PolarHBondContact O-N 3.44Å; S168-S170 VanDerWaalsContact O-N 3.16Å; S168-A171 WeakPolarHBondContact O-CB 3.32Å; S168-A171 PolarHBondContact O-N 3.24Å; S168-M188 WeakPolarHBondContact CA-O 3.14Å; S168-M188 WeakPolarHBondContact CB-O 3.33Å; S168-W217 WeakPolarHBondContact OG-CZ2 3.24Å; S168-W217 PolarHBondContact OG-NE1 3.28Å
169	I	94.6	Very high	91.7	Very high	3 Å²	3	23 Å²	23	2%	0.015	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-62.1	-25.4	-177.7	-168.3	63.3	0	0	0	112.9	V85 T88 I121 I124 I165 A171 V172 W217	V85-I169 HydrophobicContact CG2-CD1 4.29Å; T88-I169 HydrophobicContact CG2-CD1 4.36Å; I121-I169 HydrophobicContact CG2-CG2 4.36Å; I124-I169 HydrophobicContact CD1-CD1 3.75Å; I124-I169 HydrophobicContact CD1-CG1 3.64Å; I165-I169 HydrophobicContact CG2-CB 4.26Å; I165-I169 VanDerWaalsContact O-CB 3.26Å; I165-I169 WeakPolarHBondContact O-CB 3.41Å; I165-I169 WeakPolarHBondContact O-CG2 3.2Å; I165-I169 PolarHBondContact O-N 3.14Å; I169-A171 PolarHBondContact O-N 2.93Å; I169-V172 HydrophobicContact CD1-CG2 4.14Å; I169-V172 WeakPolarHBondContact O-CB 3.23Å; I169-V172 WeakPolarHBondContact O-CG2 3.49Å; I169-V172 PolarHBondContact O-N 3.15Å; I169-W217 HydrophobicContact CD1-CH2 4.14Å
170	S	91.4	Very high	91.9	Very high	44 Å²	44	24.6 Å²	24.6	31%	0.308	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-56	-18.2	170.8	33	0	0	0	0	113.4	S168 V172 G173 F184 M188	S168-S170 PolarHBondContact O-N 3.44Å; S168-S170 VanDerWaalsContact O-N 3.16Å; S170-V172 PolarHBondContact O-N 2.98Å; S170-V172 VanDerWaalsContact O-N 3.16Å; S170-G173 PolarHBondContact O-N 3.49Å; S170-F184 WeakPolarHBondContact O-CE1 3.37Å; S170-F184 WeakPolarHBondContact O-CZ 3.49Å; S170-M188 PolarHBondContact OG-SD 3.49Å
171	A	95	Very high	92	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-53.1	-32	170.5	0	0	0	0	0	112.9	S168 I169 G173 W174 I185 M188 L221	S168-A171 WeakPolarHBondContact O-CB 3.32Å; S168-A171 PolarHBondContact O-N 3.24Å; I169-A171 PolarHBondContact O-N 2.93Å; A171-G173 PolarHBondContact O-N 3.18Å; A171-W174 WeakPolarHBondContact O-CB 3.22Å; A171-W174 VanDerWaalsContact O-CD1 3.27Å; A171-W174 PolarHBondContact O-N 3.49Å; A171-I185 HydrophobicContact CB-CG2 4.42Å; A171-M188 HydrophobicContact CB-CB 3.74Å; A171-M188 HydrophobicContact CB-CG 4.24Å; A171-L221 HydrophobicContact CB-CD2 3.8Å
172	V	94.7	Very high	92.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-61.8	-25.6	177.1	178.5	0	0	0	0	111.6	T88 F89 Q92 T117 I121 I169 S170 W174	T88-V172 HydrophobicContact CG2-CB 4.36Å; T88-V172 HydrophobicContact CG2-CG1 3.94Å; T88-V172 HydrophobicContact CG2-CG2 4.13Å; F89-V172 HydrophobicContact CD2-CG2 4.37Å; F89-V172 HydrophobicContact CE1-CG2 4.49Å; F89-V172 HydrophobicContact CE2-CG2 3.84Å; F89-V172 HydrophobicContact CZ-CG2 3.91Å; Q92-V172 HydrophobicContact CB-CG1 3.98Å; Q92-V172 HydrophobicContact CG-CG1 4.17Å; Q92-V172 PolarHBondContact NE2-O 3.39Å; T117-V172 HydrophobicContact CG2-CG1 3.74Å; I121-V172 HydrophobicContact CD1-CB 4.22Å; I121-V172 HydrophobicContact CD1-CG1 4.34Å; I169-V172 HydrophobicContact CD1-CG2 4.14Å; I169-V172 WeakPolarHBondContact O-CB 3.23Å; I169-V172 WeakPolarHBondContact O-CG2 3.49Å; I169-V172 PolarHBondContact O-N 3.15Å; S170-V172 PolarHBondContact O-N 2.98Å; S170-V172 VanDerWaalsContact O-N 3.16Å; V172-W174 PolarHBondContact O-N 2.85Å; V172-W174 VanDerWaalsContact O-N 3.15Å
173	G	93.1	Very high	92.3	Very high	18 Å²	18	28.6 Å²	28.6	19%	0.186	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-71.9	3	177	0	0	0	0	0	115.6	S170 A171 V175 T176	S170-G173 PolarHBondContact O-N 3.49Å; A171-G173 PolarHBondContact O-N 3.18Å; G173-V175 PolarHBondContact O-N 3.46Å; G173-T176 PolarHBondContact O-N 2.96Å; G173-T176 VanDerWaalsContact O-N 3.1Å; G173-T176 PolarHBondContact O-OG1 3.01Å
174	W	94.2	Very high	92.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-55.2	-25	-178.1	72.3	-94.1	0	0	0	113.9	Q92 A171 V172 T176 V177 P181 F184 I185 Y227 V228 H232 F236	Q92-W174 VanDerWaalsContact NE2-CD1 3.32Å; A171-W174 WeakPolarHBondContact O-CB 3.22Å; A171-W174 VanDerWaalsContact O-CD1 3.27Å; A171-W174 PolarHBondContact O-N 3.49Å; V172-W174 PolarHBondContact O-N 2.85Å; V172-W174 VanDerWaalsContact O-N 3.15Å; W174-T176 PolarHBondContact O-N 3.14Å; W174-V177 WeakPolarHBondContact O-CB 3.28Å; W174-V177 PolarHBondContact O-N 3.19Å; W174-P181 HydrophobicContact CB-CB 4.26Å; W174-P181 HydrophobicContact CE3-CB 3.94Å; W174-F184 HydrophobicContact CB-CD1 3.95Å; W174-F184 HydrophobicContact CB-CE1 4.2Å; W174-I185 HydrophobicContact CB-CD1 3.88Å; W174-I185 HydrophobicContact CB-CG1 3.82Å; W174-I185 HydrophobicContact CG-CD1 3.88Å; W174-I185 HydrophobicContact CG-CG1 4.27Å; W174-Y227 HydrophobicContact CZ2-CE1 4.39Å; W174-V228 HydrophobicContact CD2-CG1 4.17Å; W174-V228 HydrophobicContact CD2-CG2 3.52Å; W174-V228 HydrophobicContact CE3-CG1 3.76Å; W174-V228 HydrophobicContact CE3-CG2 3.83Å; W174-V228 HydrophobicContact CG-CG2 4.13Å; W174-V228 HydrophobicContact CH2-CG2 3.98Å; W174-V228 HydrophobicContact CZ2-CG2 3.62Å; W174-V228 HydrophobicContact CZ3-CG1 4.08Å; W174-V228 HydrophobicContact CZ3-CG2 4.06Å; W174-H232 HydrophobicContact CE3-CB 4.47Å; W174-H232 HydrophobicContact CH2-CB 3.91Å; W174-H232 AromaticContact CH2-CD2 3.15Å; W174-H232 WeakPolarHBondContact CH2-CD2 3.3Å; W174-H232 AromaticContact CH2-CG 3.54Å; W174-H232 AromaticContact CH2-NE2 3.76Å; W174-H232 HydrophobicContact CZ3-CB 3.51Å; W174-H232 AromaticContact CZ3-CD2 3.74Å; W174-H232 AromaticContact CZ3-CG 3.64Å; W174-F236 AromaticContact CH2-CD2 3.6Å; W174-F236 HydrophobicContact CH2-CD2 3.6Å; W174-F236 AromaticContact CH2-CE2 3.96Å; W174-F236 HydrophobicContact CH2-CE2 3.96Å; W174-F236 AromaticContact CZ3-CD2 3.88Å; W174-F236 HydrophobicContact CZ3-CD2 3.88Å
175	V	91.2	Very high	92.6	Very high	14 Å²	14	30.8 Å²	30.8	9%	0.085	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-58.3	-20.8	178.6	-60.9	0	0	0	0	113.1	F95 L114 G173 F236	F95-V175 HydrophobicContact CD1-CB 4.35Å; F95-V175 HydrophobicContact CD1-CG1 3.97Å; F95-V175 HydrophobicContact CE1-CB 3.72Å; F95-V175 HydrophobicContact CE1-CG1 3.77Å; F95-V175 HydrophobicContact CE1-CG2 4.08Å; F95-V175 HydrophobicContact CZ-CB 4.18Å; F95-V175 HydrophobicContact CZ-CG2 4.22Å; L114-V175 HydrophobicContact CD2-CG2 3.57Å; G173-V175 PolarHBondContact O-N 3.46Å; V175-F236 HydrophobicContact CB-CD2 4.1Å; V175-F236 HydrophobicContact CG1-CD2 3.96Å; V175-F236 HydrophobicContact CG1-CE2 4.27Å
176	T	89.1	Confident	92.7	Very high	95 Å²	95	31.5 Å²	31.5	58%	0.583	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-97.5	-1.9	176.7	65.1	0	0	0	0	113.9	L114 G173 W174	L114-T176 HydrophobicContact CD1-CG2 3.52Å; L114-T176 HydrophobicContact CD2-CG2 4.05Å; L114-T176 HydrophobicContact CG-CG2 4.46Å; G173-T176 PolarHBondContact O-N 2.96Å; G173-T176 VanDerWaalsContact O-N 3.1Å; G173-T176 PolarHBondContact O-OG1 3.01Å; W174-T176 PolarHBondContact O-N 3.14Å
177	V	87.9	Confident	92.9	Very high	36 Å²	36	36.5 Å²	36.5	22%	0.218	23%	0.229	C	C	.	.			trans	-101.4	117.4	-172.8	-178.8	0	0	0	0	110.7	W174 P181 F184	W174-V177 WeakPolarHBondContact O-CB 3.28Å; W174-V177 PolarHBondContact O-N 3.19Å; V177-P181 HydrophobicContact CB-CB 4.49Å; V177-F184 HydrophobicContact CB-CB 4.5Å; V177-F184 HydrophobicContact CB-CD1 4.42Å; V177-F184 HydrophobicContact CB-CG 4.39Å; V177-F184 HydrophobicContact CG1-CB 3.86Å; V177-F184 HydrophobicContact CG1-CG 4.15Å; V177-F184 HydrophobicContact CG2-CB 4.46Å; V177-F184 HydrophobicContact CG2-CD1 3.81Å; V177-F184 HydrophobicContact CG2-CD2 4.12Å; V177-F184 HydrophobicContact CG2-CE1 4.02Å; V177-F184 HydrophobicContact CG2-CE2 4.3Å; V177-F184 HydrophobicContact CG2-CG 3.86Å; V177-F184 HydrophobicContact CG2-CZ 4.25Å
178	A	86.5	Confident	93.2	Very high	74 Å²	74	35.1 Å²	35.1	61%	0.612	22%	0.223	S	C	*	.			trans	-137.8	145.9	172.2	0	0	0	0	0	109.6
179	P	90.3	Very high	93.2	Very high	100 Å²	100	36.7 Å²	36.7	65%	0.649	23%	0.231	S	C	*	.	S	Bend	cis	-89.7	8.2	3.1	36.4	-36.4	0	0	0	114.3	P181 V234	P179-P181 VanDerWaalsContact C-CD 3.44Å; P179-P181 WeakPolarHBondContact O-CD 3.42Å; P179-V234 WeakPolarHBondContact CA-O 3.49Å; P179-V234 CarbonylContact O-C 3.52Å; P179-V234 WeakPolarHBondContact O-CA 3.37Å
180	A	91.5	Very high	93.2	Very high	41 Å²	41	41.3 Å²	41.3	34%	0.339	26%	0.256	S	S	.	.			trans	-125.5	60.2	-165	0	0	0	0	0	114.3	P183 F184	A180-P183 HydrophobicContact CB-CB 4.37Å; A180-P183 HydrophobicContact CB-CG 4.03Å; A180-P183 WeakPolarHBondContact O-CD 3.41Å; A180-F184 PolarHBondContact O-N 3.15Å
181	P	93.4	Very high	93.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68.1	-37.1	-179.1	28.4	-35.2	0	0	0	113.1	W174 V177 P179 F184 I185 V228 H232	W174-P181 HydrophobicContact CB-CB 4.26Å; W174-P181 HydrophobicContact CE3-CB 3.94Å; V177-P181 HydrophobicContact CB-CB 4.49Å; P179-P181 VanDerWaalsContact C-CD 3.44Å; P179-P181 WeakPolarHBondContact O-CD 3.42Å; P181-F184 WeakPolarHBondContact O-CB 3.37Å; P181-F184 PolarHBondContact O-N 3.05Å; P181-I185 WeakPolarHBondContact O-CG1 3.23Å; P181-I185 PolarHBondContact O-N 3.16Å; P181-V228 HydrophobicContact CB-CG1 3.83Å; P181-V228 HydrophobicContact CG-CG1 3.85Å; P181-H232 WeakPolarHBondContact CG-O 3.29Å
182	V	95.2	Very high	93.2	Very high	24 Å²	24	41.1 Å²	41.1	15%	0.145	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-46.8	179.3	173.8	0	0	0	0	112.3	F184 I185 A186 K225 V228 K229	V182-F184 VanDerWaalsContact C-N 3.32Å; V182-F184 PolarHBondContact O-N 2.95Å; V182-I185 PolarHBondContact O-N 3.16Å; V182-A186 PolarHBondContact O-N 3.21Å; V182-A186 VanDerWaalsContact O-N 3.15Å; V182-K225 HydrophobicContact CG1-CD 4.42Å; V182-K225 HydrophobicContact CG1-CG 3.79Å; V182-V228 HydrophobicContact CG2-CB 4.24Å; V182-V228 HydrophobicContact CG2-CG1 3.78Å; V182-K229 HydrophobicContact CG2-CB 3.86Å
183	P	94.5	Very high	93.3	Very high	81 Å²	81	43.9 Å²	43.9	53%	0.526	27%	0.267	S	S	.	.	H	α-helix	trans	-58.7	-39.3	169.8	-29.2	37.4	0	0	0	113.8	A180 A186 E187	A180-P183 HydrophobicContact CB-CB 4.37Å; A180-P183 HydrophobicContact CB-CG 4.03Å; A180-P183 WeakPolarHBondContact O-CD 3.41Å; P183-A186 WeakPolarHBondContact O-CB 3.42Å; P183-A186 PolarHBondContact O-N 3.26Å; P183-E187 PolarHBondContact O-N 3.14Å
184	F	96.1	Very high	93.4	Very high	46 Å²	46	48.4 Å²	48.4	20%	0.202	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-45.9	177	167.5	-99.2	0	0	0	112.4	S170 W174 V177 A180 P181 V182 A186 E187 M188	S170-F184 WeakPolarHBondContact O-CE1 3.37Å; S170-F184 WeakPolarHBondContact O-CZ 3.49Å; W174-F184 HydrophobicContact CB-CD1 3.95Å; W174-F184 HydrophobicContact CB-CE1 4.2Å; V177-F184 HydrophobicContact CB-CB 4.5Å; V177-F184 HydrophobicContact CB-CD1 4.42Å; V177-F184 HydrophobicContact CB-CG 4.39Å; V177-F184 HydrophobicContact CG1-CB 3.86Å; V177-F184 HydrophobicContact CG1-CG 4.15Å; V177-F184 HydrophobicContact CG2-CB 4.46Å; V177-F184 HydrophobicContact CG2-CD1 3.81Å; V177-F184 HydrophobicContact CG2-CD2 4.12Å; V177-F184 HydrophobicContact CG2-CE1 4.02Å; V177-F184 HydrophobicContact CG2-CE2 4.3Å; V177-F184 HydrophobicContact CG2-CG 3.86Å; V177-F184 HydrophobicContact CG2-CZ 4.25Å; A180-F184 PolarHBondContact O-N 3.15Å; P181-F184 WeakPolarHBondContact O-CB 3.37Å; P181-F184 PolarHBondContact O-N 3.05Å; V182-F184 VanDerWaalsContact C-N 3.32Å; V182-F184 PolarHBondContact O-N 2.95Å; F184-A186 VanDerWaalsContact C-N 3.26Å; F184-A186 PolarHBondContact O-N 2.89Å; F184-E187 PolarHBondContact O-N 3.07Å; F184-M188 HydrophobicContact CD2-CG 4.38Å; F184-M188 HydrophobicContact CE1-CG 4.16Å; F184-M188 HydrophobicContact CE2-CE 4.37Å; F184-M188 HydrophobicContact CE2-CG 3.96Å; F184-M188 HydrophobicContact CE2-SD 4.1Å; F184-M188 HydrophobicContact CZ-CG 3.85Å; F184-M188 HydrophobicContact CZ-SD 4.24Å; F184-M188 WeakPolarHBondContact O-CG 3.42Å; F184-M188 PolarHBondContact O-N 2.92Å
185	I	96.7	Very high	93.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.9	-38.7	175.5	-63.9	160.6	0	0	0	110.7	A171 W174 P181 V182 M188 M189 L224 K225 V228	A171-I185 HydrophobicContact CB-CG2 4.42Å; W174-I185 HydrophobicContact CB-CD1 3.88Å; W174-I185 HydrophobicContact CB-CG1 3.82Å; W174-I185 HydrophobicContact CG-CD1 3.88Å; W174-I185 HydrophobicContact CG-CG1 4.27Å; P181-I185 WeakPolarHBondContact O-CG1 3.23Å; P181-I185 PolarHBondContact O-N 3.16Å; V182-I185 PolarHBondContact O-N 3.16Å; I185-M188 PolarHBondContact O-N 3.43Å; I185-M189 WeakPolarHBondContact O-CB 3.3Å; I185-M189 PolarHBondContact O-N 3.26Å; I185-L224 HydrophobicContact CD1-CG 4.24Å; I185-K225 HydrophobicContact CG2-CB 3.88Å; I185-K225 HydrophobicContact CG2-CG 4.47Å; I185-V228 HydrophobicContact CD1-CB 3.94Å; I185-V228 HydrophobicContact CD1-CG1 4.07Å; I185-V228 HydrophobicContact CD1-CG2 3.73Å
186	A	95.8	Very high	93.7	Very high	16 Å²	16	48.9 Å²	48.9	13%	0.132	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-43.4	176.7	0	0	0	0	0	112	V182 P183 F184 M188 M189 D190 K225	V182-A186 PolarHBondContact O-N 3.21Å; V182-A186 VanDerWaalsContact O-N 3.15Å; P183-A186 WeakPolarHBondContact O-CB 3.42Å; P183-A186 PolarHBondContact O-N 3.26Å; F184-A186 VanDerWaalsContact C-N 3.26Å; F184-A186 PolarHBondContact O-N 2.89Å; A186-M188 VanDerWaalsContact C-N 3.34Å; A186-M188 PolarHBondContact O-N 3.05Å; A186-M189 WeakPolarHBondContact O-CB 3.46Å; A186-M189 PolarHBondContact O-N 2.93Å; A186-D190 VanDerWaalsContact O-CG 3.3Å; A186-D190 PolarHBondContact O-N 2.88Å; A186-K225 HydrophobicContact CB-CD 4.42Å
187	E	95.5	Very high	94.1	Very high	119 Å²	119	48.6 Å²	48.6	56%	0.556	28%	0.278	S	S	*	.	H	α-helix	trans	-61.1	-42.1	175.8	-173.8	179.4	175.5	0	0	111.9	P183 F184 M189 D190 S191	P183-E187 PolarHBondContact O-N 3.14Å; F184-E187 PolarHBondContact O-N 3.07Å; E187-M189 VanDerWaalsContact C-N 3.33Å; E187-M189 PolarHBondContact O-N 3.26Å; E187-D190 PolarHBondContact O-N 3.47Å; E187-S191 PolarHBondContact O-N 3.33Å
188	M	94.8	Very high	94.4	Very high	27 Å²	27	50.5 Å²	50.5	13%	0.133	28%	0.281	C	S	.	.	H	α-helix	trans	-69.3	-29.6	175.9	-62.2	-59.8	93.3	0	0	112.6	S168 S170 A171 F184 I185 A186 S191	S168-M188 WeakPolarHBondContact CA-O 3.14Å; S168-M188 WeakPolarHBondContact CB-O 3.33Å; S170-M188 PolarHBondContact OG-SD 3.49Å; A171-M188 HydrophobicContact CB-CB 3.74Å; A171-M188 HydrophobicContact CB-CG 4.24Å; F184-M188 HydrophobicContact CD2-CG 4.38Å; F184-M188 HydrophobicContact CE1-CG 4.16Å; F184-M188 HydrophobicContact CE2-CE 4.37Å; F184-M188 HydrophobicContact CE2-CG 3.96Å; F184-M188 HydrophobicContact CE2-SD 4.1Å; F184-M188 HydrophobicContact CZ-CG 3.85Å; F184-M188 HydrophobicContact CZ-SD 4.24Å; F184-M188 WeakPolarHBondContact O-CG 3.42Å; F184-M188 PolarHBondContact O-N 2.92Å; I185-M188 PolarHBondContact O-N 3.43Å; A186-M188 VanDerWaalsContact C-N 3.34Å; A186-M188 PolarHBondContact O-N 3.05Å; M188-S191 PolarHBondContact O-OG 3.15Å
189	M	95.1	Very high	94.8	Very high	33 Å²	33	47 Å²	47	16%	0.163	25%	0.252	C	S	.	.	H	α-helix	trans	-72.1	-35.4	172	-173.9	176.9	65.1	0	0	111.6	I185 A186 E187 L218 L221	I185-M189 WeakPolarHBondContact O-CB 3.3Å; I185-M189 PolarHBondContact O-N 3.26Å; A186-M189 WeakPolarHBondContact O-CB 3.46Å; A186-M189 PolarHBondContact O-N 2.93Å; E187-M189 VanDerWaalsContact C-N 3.33Å; E187-M189 PolarHBondContact O-N 3.26Å; M189-L218 HydrophobicContact CG-CD2 3.85Å; M189-L218 HydrophobicContact SD-CD2 4.25Å; M189-L221 HydrophobicContact CB-CB 4.34Å; M189-L221 HydrophobicContact CB-CD1 3.9Å; M189-L221 HydrophobicContact CG-CB 4.11Å; M189-L221 HydrophobicContact CG-CD1 3.89Å; M189-L221 HydrophobicContact SD-CB 4.01Å
190	D	94.3	Very high	95	Very high	100 Å²	100	44.7 Å²	44.7	54%	0.535	23%	0.234	S	C	.	.	H	α-helix	trans	-70.2	-33.6	178	-72.2	-20.3	0	0	0	112.1	A186 E187 A192 Q193	A186-D190 VanDerWaalsContact O-CG 3.3Å; A186-D190 PolarHBondContact O-N 2.88Å; E187-D190 PolarHBondContact O-N 3.47Å; D190-A192 VanDerWaalsContact C-N 3.27Å; D190-A192 PolarHBondContact O-N 3.47Å; D190-Q193 VanDerWaalsContact O-CB 3.29Å; D190-Q193 WeakPolarHBondContact O-CB 3.3Å; D190-Q193 WeakPolarHBondContact O-CG 3.14Å; D190-Q193 PolarHBondContact O-N 3.4Å; D190-Q193 VanDerWaalsContact O-N 3.15Å
191	S	92.8	Very high	95.2	Very high	40 Å²	40	50.6 Å²	50.6	28%	0.28	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-33.3	176.7	68.4	0	0	0	0	112.9	E167 E187 M188 Q193	E167-S191 PolarHBondContact O-OG 3.25Å; E187-S191 PolarHBondContact O-N 3.33Å; M188-S191 PolarHBondContact O-OG 3.15Å; S191-Q193 VanDerWaalsContact C-N 3.34Å; S191-Q193 PolarHBondContact O-N 3.35Å
192	A	94.9	Very high	95	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-19.1	177.6	0	0	0	0	0	114.1	A164 D190 F194 F195 L196	A164-A192 HydrophobicContact CB-CB 4.41Å; A164-A192 WeakPolarHBondContact O-CB 3.35Å; D190-A192 VanDerWaalsContact C-N 3.27Å; D190-A192 PolarHBondContact O-N 3.47Å; A192-F194 PolarHBondContact O-N 2.94Å; A192-F194 VanDerWaalsContact O-N 3.13Å; A192-F195 PolarHBondContact O-N 2.99Å; A192-L196 HydrophobicContact CB-CD1 3.87Å; A192-L196 HydrophobicContact CB-CG 4.18Å; A192-L196 WeakPolarHBondContact O-CG 3.49Å; A192-L196 PolarHBondContact O-N 2.91Å
193	Q	96.3	Very high	94.8	Very high	58 Å²	58	53.5 Å²	53.5	27%	0.271	27%	0.266	S	S	.	.	H	α-helix	trans	-55.2	-39.1	-170.9	-71.2	-66.3	-33.5	0	0	112.9	D190 S191 F195 L196 N197 L218	D190-Q193 VanDerWaalsContact O-CB 3.29Å; D190-Q193 WeakPolarHBondContact O-CB 3.3Å; D190-Q193 WeakPolarHBondContact O-CG 3.14Å; D190-Q193 PolarHBondContact O-N 3.4Å; D190-Q193 VanDerWaalsContact O-N 3.15Å; S191-Q193 VanDerWaalsContact C-N 3.34Å; S191-Q193 PolarHBondContact O-N 3.35Å; Q193-F195 VanDerWaalsContact C-N 3.33Å; Q193-F195 PolarHBondContact O-N 3.46Å; Q193-L196 PolarHBondContact O-N 3.39Å; Q193-N197 VanDerWaalsContact O-CB 3.25Å; Q193-N197 WeakPolarHBondContact O-CB 3.16Å; Q193-N197 PolarHBondContact O-N 3.47Å; Q193-N197 PolarHBondContact O-ND2 3.33Å; Q193-L218 VanDerWaalsContact NE2-CD2 3.32Å
194	F	94.9	Very high	94.4	Very high	112 Å²	112	55.9 Å²	55.9	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-58	-45.5	179.8	176	-107.1	0	0	0	112.4	A192 R198	A192-F194 PolarHBondContact O-N 2.94Å; A192-F194 VanDerWaalsContact O-N 3.13Å; F194-R198 VanDerWaalsContact CE1-NH1 3.27Å; F194-R198 WeakPolarHBondContact O-CG 3.26Å; F194-R198 PolarHBondContact O-N 3.38Å
195	F	94.7	Very high	94.1	Very high	24 Å²	24	60.8 Å²	60.8	11%	0.105	30%	0.296	C	S	.	.	H	α-helix	trans	-77.9	-38.5	-179.8	-64.9	-72	0	0	0	111.9	F159 N160 S163 A164 E167 A192 Q193 N197 R198 I199	F159-F195 AromaticContact CE1-CE1 3.98Å; F159-F195 HydrophobicContact CE1-CE1 3.98Å; F159-F195 HydrophobicContact CZ-CE1 4.43Å; N160-F195 WeakPolarHBondContact O-CB 2.83Å; S163-F195 VanDerWaalsContact CB-CD1 3.48Å; S163-F195 VanDerWaalsContact CB-CE1 3.5Å; A164-F195 HydrophobicContact CB-CB 3.79Å; E167-F195 HydrophobicContact CG-CD2 3.96Å; E167-F195 HydrophobicContact CG-CE2 3.62Å; A192-F195 PolarHBondContact O-N 2.99Å; Q193-F195 VanDerWaalsContact C-N 3.33Å; Q193-F195 PolarHBondContact O-N 3.46Å; F195-N197 PolarHBondContact O-N 2.85Å; F195-R198 WeakPolarHBondContact O-CB 3.18Å; F195-R198 PolarHBondContact O-N 2.88Å; F195-R198 VanDerWaalsContact O-N 3.15Å; F195-I199 WeakPolarHBondContact O-CG1 2.9Å; F195-I199 PolarHBondContact O-N 3.42Å
196	L	97.1	Very high	93.7	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-43.9	175.8	-66	174.8	0	0	0	112	A164 A192 Q193 R198 I199 L200 F213 V214 L218	A164-L196 HydrophobicContact CB-CD2 3.72Å; A164-L196 HydrophobicContact CB-CG 4.03Å; A192-L196 HydrophobicContact CB-CD1 3.87Å; A192-L196 HydrophobicContact CB-CG 4.18Å; A192-L196 WeakPolarHBondContact O-CG 3.49Å; A192-L196 PolarHBondContact O-N 2.91Å; Q193-L196 PolarHBondContact O-N 3.39Å; L196-R198 VanDerWaalsContact C-N 3.27Å; L196-R198 PolarHBondContact O-N 2.99Å; L196-I199 HydrophobicContact CD2-CD1 4.37Å; L196-I199 WeakPolarHBondContact O-CB 3.14Å; L196-I199 PolarHBondContact O-N 3.48Å; L196-I199 VanDerWaalsContact O-N 3.15Å; L196-L200 PolarHBondContact O-N 3.44Å; L196-F213 HydrophobicContact CD2-CE1 4.35Å; L196-V214 HydrophobicContact CB-CG1 3.91Å; L196-V214 HydrophobicContact CB-CG2 4.37Å; L196-V214 HydrophobicContact CD2-CB 4.31Å; L196-V214 HydrophobicContact CD2-CG1 4.14Å; L196-V214 HydrophobicContact CD2-CG2 3.94Å; L196-V214 HydrophobicContact CG-CG1 4.42Å; L196-L218 HydrophobicContact CD1-CD1 4.44Å; L196-L218 HydrophobicContact CD1-CD2 3.66Å; L196-L218 HydrophobicContact CD1-CG 3.97Å
197	N	97	Very high	93.4	Very high	88 Å²	88	69.8 Å²	69.8	47%	0.471	34%	0.336	S	S	.	.	H	α-helix	trans	-63.2	-33.1	176	-74.6	-40.5	0	0	0	112.4	Q193 F195 K201	Q193-N197 VanDerWaalsContact O-CB 3.25Å; Q193-N197 WeakPolarHBondContact O-CB 3.16Å; Q193-N197 PolarHBondContact O-N 3.47Å; Q193-N197 PolarHBondContact O-ND2 3.33Å; F195-N197 PolarHBondContact O-N 2.85Å; N197-K201 WeakPolarHBondContact O-CB 3.25Å; N197-K201 PolarHBondContact O-N 3.18Å
198	R	95	Very high	93.3	Very high	77 Å²	77	67.9 Å²	67.9	29%	0.291	33%	0.334	S	S	.	.	H	α-helix	trans	-66.4	-43	172.8	-74.9	175.2	166.1	-174.3	-6.2	111.8	N160 F194 F195 L196 L200 K201 D202	N160-R198 HydrophobicContact CB-CB 4.48Å; F194-R198 VanDerWaalsContact CE1-NH1 3.27Å; F194-R198 WeakPolarHBondContact O-CG 3.26Å; F194-R198 PolarHBondContact O-N 3.38Å; F195-R198 WeakPolarHBondContact O-CB 3.18Å; F195-R198 PolarHBondContact O-N 2.88Å; F195-R198 VanDerWaalsContact O-N 3.15Å; L196-R198 VanDerWaalsContact C-N 3.27Å; L196-R198 PolarHBondContact O-N 2.99Å; R198-L200 PolarHBondContact O-N 3.34Å; R198-K201 WeakPolarHBondContact O-CB 3.19Å; R198-K201 PolarHBondContact O-N 3.21Å; R198-D202 WeakPolarHBondContact O-CB 3.14Å; R198-D202 PolarHBondContact O-N 3.44Å
199	I	94.6	Very high	93.3	Very high	1 Å²	1	68.8 Å²	68.8	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-58.6	-48.5	174.7	-60.8	164.9	0	0	0	110.4	N160 H161 F195 L196 K201 D202 F203 H210 F213 V214	N160-I199 HydrophobicContact CB-CD1 4.3Å; N160-I199 HydrophobicContact CB-CG1 3.67Å; H161-I199 HydrophobicContact CB-CD1 4.31Å; F195-I199 WeakPolarHBondContact O-CG1 2.9Å; F195-I199 PolarHBondContact O-N 3.42Å; L196-I199 HydrophobicContact CD2-CD1 4.37Å; L196-I199 WeakPolarHBondContact O-CB 3.14Å; L196-I199 PolarHBondContact O-N 3.48Å; L196-I199 VanDerWaalsContact O-N 3.15Å; I199-K201 PolarHBondContact O-N 3.38Å; I199-D202 PolarHBondContact O-N 3.14Å; I199-F203 HydrophobicContact CG2-CD2 4.08Å; I199-F203 WeakPolarHBondContact O-CB 3.34Å; I199-F203 WeakPolarHBondContact O-CD2 3.4Å; I199-F203 PolarHBondContact O-N 3.34Å; I199-H210 HydrophobicContact CG2-CB 3.93Å; I199-F213 HydrophobicContact CD1-CD1 4.11Å; I199-F213 HydrophobicContact CD1-CE1 3.9Å; I199-V214 HydrophobicContact CB-CG2 3.8Å; I199-V214 HydrophobicContact CD1-CG2 4.13Å; I199-V214 HydrophobicContact CG2-CG2 3.73Å
200	L	95.1	Very high	93.3	Very high	50 Å²	50	67.7 Å²	67.7	26%	0.262	33%	0.333	S	S	.	.	H	α-helix	trans	-59.2	-35.7	178	-68.5	178.3	0	0	0	112.7	L196 R198 K204 K211 V214	L196-L200 PolarHBondContact O-N 3.44Å; R198-L200 PolarHBondContact O-N 3.34Å; L200-K204 WeakPolarHBondContact O-CA 3.31Å; L200-K204 WeakPolarHBondContact O-CB 3.15Å; L200-K204 PolarHBondContact O-N 2.94Å; L200-K211 HydrophobicContact CD2-CB 4.15Å; L200-K211 HydrophobicContact CD2-CG 4Å; L200-V214 HydrophobicContact CD1-CG1 3.97Å; L200-V214 HydrophobicContact CD2-CB 3.96Å; L200-V214 HydrophobicContact CD2-CG1 4.03Å; L200-V214 HydrophobicContact CD2-CG2 4.11Å; L200-V214 HydrophobicContact CG-CB 4.26Å; L200-V214 HydrophobicContact CG-CG1 3.93Å; L200-V214 HydrophobicContact CG-CG2 4.14Å
201	K	94.3	Very high	93.4	Very high	166 Å²	166	66.2 Å²	66.2	72%	0.722	32%	0.322	S	S	*	.	H	α-helix	trans	-71.7	-49.8	175.9	-175.8	-174.6	175.9	-173.6	0	111.7	N197 R198 I199 F203 K204	N197-K201 WeakPolarHBondContact O-CB 3.25Å; N197-K201 PolarHBondContact O-N 3.18Å; R198-K201 WeakPolarHBondContact O-CB 3.19Å; R198-K201 PolarHBondContact O-N 3.21Å; I199-K201 PolarHBondContact O-N 3.38Å; K201-F203 VanDerWaalsContact C-N 3.26Å; K201-F203 PolarHBondContact O-N 3.33Å; K201-K204 PolarHBondContact O-N 2.93Å
202	D	89.3	Confident	93.5	Very high	68 Å²	68	67.6 Å²	67.6	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-71.1	-23.3	-172.6	-65.5	-17.9	0	0	0	112.4	N160 R198 I199 K206	N160-D202 PolarHBondContact ND2-OD2 2.94Å; R198-D202 WeakPolarHBondContact O-CB 3.14Å; R198-D202 PolarHBondContact O-N 3.44Å; I199-D202 PolarHBondContact O-N 3.14Å; D202-K206 WeakPolarHBondContact O-CD 2.83Å; D202-K206 VanDerWaalsContact O-CE 3.24Å; D202-K206 WeakPolarHBondContact O-CE 3.44Å; D202-K206 PolarHBondContact O-NZ 3.32Å
203	F	91.7	Very high	93.7	Very high	16 Å²	16	67.6 Å²	67.6	7%	0.07	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	19.5	-179.2	-64	-90.7	0	0	0	113.8	L157 H161 I199 K201 D205 K206 H210 K211	L157-F203 HydrophobicContact CD1-CZ 4.24Å; L157-F203 HydrophobicContact CG-CZ 4.49Å; H161-F203 AromaticContact CE1-CE2 3.93Å; I199-F203 HydrophobicContact CG2-CD2 4.08Å; I199-F203 WeakPolarHBondContact O-CB 3.34Å; I199-F203 WeakPolarHBondContact O-CD2 3.4Å; I199-F203 PolarHBondContact O-N 3.34Å; K201-F203 VanDerWaalsContact C-N 3.26Å; K201-F203 PolarHBondContact O-N 3.33Å; F203-D205 VanDerWaalsContact C-N 3.32Å; F203-D205 PolarHBondContact O-N 3.07Å; F203-K206 HydrophobicContact CB-CB 4.44Å; F203-K206 HydrophobicContact CD1-CB 4.08Å; F203-K206 HydrophobicContact CD1-CD 4.01Å; F203-K206 HydrophobicContact CE1-CD 4.46Å; F203-K206 PolarHBondContact O-N 3.42Å; F203-H210 HydrophobicContact CB-CB 3.68Å; F203-H210 HydrophobicContact CD1-CB 4.02Å; F203-H210 AromaticContact CD1-CD2 3.1Å; F203-H210 WeakPolarHBondContact CD1-CD2 3.38Å; F203-H210 AromaticContact CD1-CG 3.5Å; F203-H210 VanDerWaalsContact CD1-CG 3.5Å; F203-H210 AromaticContact CD1-NE2 3.56Å; F203-H210 HydrophobicContact CD2-CB 4.05Å; F203-H210 AromaticContact CE1-CD2 3.35Å; F203-H210 WeakPolarHBondContact CE1-CD2 3.49Å; F203-H210 AromaticContact CE1-CE1 3.66Å; F203-H210 AromaticContact CE1-CG 3.79Å; F203-H210 AromaticContact CE1-ND1 3.98Å; F203-H210 AromaticContact CE1-NE2 3.23Å; F203-H210 WeakPolarHBondContact CE1-NE2 3.38Å; F203-H210 HydrophobicContact CG-CB 3.65Å; F203-H210 AromaticContact CG-CD2 3.7Å; F203-H210 AromaticContact CG-CG 3.61Å; F203-H210 AromaticContact CZ-CE1 3.82Å; F203-H210 AromaticContact CZ-ND1 4Å; F203-H210 AromaticContact CZ-NE2 3.87Å; F203-K211 WeakPolarHBondContact O-CE 3.37Å
204	K	86.7	Confident	93.8	Very high	132 Å²	132	64.9 Å²	64.9	57%	0.574	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-43.5	-178.5	-171.3	-176.7	173.3	-172.1	0	113.4	L200 K201 K211	L200-K204 WeakPolarHBondContact O-CA 3.31Å; L200-K204 WeakPolarHBondContact O-CB 3.15Å; L200-K204 PolarHBondContact O-N 2.94Å; K201-K204 PolarHBondContact O-N 2.93Å; K204-K211 WeakPolarHBondContact O-CE 3.44Å; K204-K211 PolarHBondContact O-NZ 3.07Å
205	D	89.2	Confident	93.9	Very high	149 Å²	149	64.9 Å²	64.9	80%	0.797	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	25.4	-176.2	-52.3	-55	0	0	0	111.4	F203	F203-D205 VanDerWaalsContact C-N 3.32Å; F203-D205 PolarHBondContact O-N 3.07Å
206	K	89.1	Confident	94.1	Very high	137 Å²	137	64.5 Å²	64.5	60%	0.596	31%	0.314	S	S	*	.	S	Bend	trans	-116.3	-147	-179.9	-58.7	-177	-175.3	158.9	0	109.8	D202 F203	D202-K206 WeakPolarHBondContact O-CD 2.83Å; D202-K206 VanDerWaalsContact O-CE 3.24Å; D202-K206 WeakPolarHBondContact O-CE 3.44Å; D202-K206 PolarHBondContact O-NZ 3.32Å; F203-K206 HydrophobicContact CB-CB 4.44Å; F203-K206 HydrophobicContact CD1-CB 4.08Å; F203-K206 HydrophobicContact CD1-CD 4.01Å; F203-K206 HydrophobicContact CE1-CD 4.46Å; F203-K206 PolarHBondContact O-N 3.42Å
207	D	89.3	Confident	94.1	Very high	67 Å²	67	64.5 Å²	64.5	36%	0.358	31%	0.314	S	S	.	.			trans	-61.7	120.7	179.9	-179.6	-2	0	0	0	111.6	L209 H210	D207-L209 PolarHBondContact O-N 2.92Å; D207-L209 WeakPolarHBondContact OD1-CB 3.42Å; D207-L209 VanDerWaalsContact OD1-CG 3.3Å; D207-L209 WeakPolarHBondContact OD1-CG 3.47Å; D207-L209 PolarHBondContact OD1-N 3.46Å; D207-H210 PolarHBondContact O-N 3.28Å
208	P	92.9	Very high	94.1	Very high	79 Å²	79	62.4 Å²	62.4	51%	0.513	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.9	179.3	27.2	-36.1	0	0	0	113.7	H210 K211 D212	P208-H210 PolarHBondContact O-N 3.01Å; P208-H210 VanDerWaalsContact O-N 3.14Å; P208-K211 WeakPolarHBondContact O-CB 3.4Å; P208-K211 PolarHBondContact O-N 3.47Å; P208-D212 PolarHBondContact O-N 3.1Å
209	L	94.9	Very high	94.3	Very high	47 Å²	47	61.5 Å²	61.5	25%	0.246	30%	0.303	C	S	.	.	H	α-helix	trans	-57.2	-31.3	179.8	-68.9	175.2	0	0	0	112.5	I74 D207 D212 F213	I74-L209 HydrophobicContact CD1-CB 4.47Å; I74-L209 HydrophobicContact CG1-CB 3.82Å; D207-L209 PolarHBondContact O-N 2.92Å; D207-L209 WeakPolarHBondContact OD1-CB 3.42Å; D207-L209 VanDerWaalsContact OD1-CG 3.3Å; D207-L209 WeakPolarHBondContact OD1-CG 3.47Å; D207-L209 PolarHBondContact OD1-N 3.46Å; L209-D212 PolarHBondContact O-N 2.71Å; L209-F213 PolarHBondContact O-N 3.36Å
210	H	95.2	Very high	94.5	Very high	10 Å²	10	61.4 Å²	61.4	5%	0.046	30%	0.303	C	S	.	.	H	α-helix	trans	-71.4	-31.1	176.5	-65.2	-75.2	0	0	0	113.5	I74 F158 H161 I199 F203 D207 P208 F213 V214	I74-H210 WeakPolarHBondContact CG2-CE1 3.34Å; F158-H210 AromaticContact CE1-CE1 3.82Å; H161-H210 AromaticContact CE1-CE1 3.96Å; H161-H210 AromaticContact CE1-ND1 3.22Å; H161-H210 PolarHBondContact CE1-ND1 3.29Å; H161-H210 AromaticContact NE2-CE1 3.86Å; H161-H210 AromaticContact NE2-CG 3.82Å; H161-H210 AromaticContact NE2-ND1 2.89Å; H161-H210 PolarHBondContact NE2-ND1 2.98Å; I199-H210 HydrophobicContact CG2-CB 3.93Å; F203-H210 HydrophobicContact CB-CB 3.68Å; F203-H210 HydrophobicContact CD1-CB 4.02Å; F203-H210 AromaticContact CD1-CD2 3.1Å; F203-H210 WeakPolarHBondContact CD1-CD2 3.38Å; F203-H210 AromaticContact CD1-CG 3.5Å; F203-H210 VanDerWaalsContact CD1-CG 3.5Å; F203-H210 AromaticContact CD1-NE2 3.56Å; F203-H210 HydrophobicContact CD2-CB 4.05Å; F203-H210 AromaticContact CE1-CD2 3.35Å; F203-H210 WeakPolarHBondContact CE1-CD2 3.49Å; F203-H210 AromaticContact CE1-CE1 3.66Å; F203-H210 AromaticContact CE1-CG 3.79Å; F203-H210 AromaticContact CE1-ND1 3.98Å; F203-H210 AromaticContact CE1-NE2 3.23Å; F203-H210 WeakPolarHBondContact CE1-NE2 3.38Å; F203-H210 HydrophobicContact CG-CB 3.65Å; F203-H210 AromaticContact CG-CD2 3.7Å; F203-H210 AromaticContact CG-CG 3.61Å; F203-H210 AromaticContact CZ-CE1 3.82Å; F203-H210 AromaticContact CZ-ND1 4Å; F203-H210 AromaticContact CZ-NE2 3.87Å; D207-H210 PolarHBondContact O-N 3.28Å; P208-H210 PolarHBondContact O-N 3.01Å; P208-H210 VanDerWaalsContact O-N 3.14Å; H210-F213 WeakPolarHBondContact O-CB 3.49Å; H210-V214 WeakPolarHBondContact O-CG2 3.48Å; H210-V214 PolarHBondContact O-N 2.83Å
211	K	95.5	Very high	94.6	Very high	68 Å²	68	59.1 Å²	59.1	30%	0.296	29%	0.291	S	S	.	.	H	α-helix	trans	-72.6	-41.2	171.9	-62.1	179.5	-177.1	172	0	110.2	L200 F203 K204 P208 F213 V214 H215	L200-K211 HydrophobicContact CD2-CB 4.15Å; L200-K211 HydrophobicContact CD2-CG 4Å; F203-K211 WeakPolarHBondContact O-CE 3.37Å; K204-K211 WeakPolarHBondContact O-CE 3.44Å; K204-K211 PolarHBondContact O-NZ 3.07Å; P208-K211 WeakPolarHBondContact O-CB 3.4Å; P208-K211 PolarHBondContact O-N 3.47Å; K211-F213 VanDerWaalsContact C-N 3.29Å; K211-F213 PolarHBondContact O-N 2.89Å; K211-V214 PolarHBondContact O-N 3.31Å; K211-V214 VanDerWaalsContact O-N 3.12Å; K211-H215 PolarHBondContact O-CD2 3.3Å; K211-H215 PolarHBondContact O-N 3.3Å
212	D	96.5	Very high	94.8	Very high	69 Å²	69	52.2 Å²	52.2	37%	0.369	27%	0.267	S	S	.	.	H	α-helix	trans	-60	-41	174.7	-73.4	-14.6	0	0	0	111.1	T70 P208 L209 V214 H215 Q216	T70-D212 HydrophobicContact CG2-CB 4.08Å; P208-D212 PolarHBondContact O-N 3.1Å; L209-D212 PolarHBondContact O-N 2.71Å; D212-V214 VanDerWaalsContact C-N 3.33Å; D212-V214 PolarHBondContact O-N 3.02Å; D212-H215 PolarHBondContact O-N 3.16Å; D212-Q216 WeakPolarHBondContact O-CB 3.25Å; D212-Q216 WeakPolarHBondContact O-CG 3.46Å; D212-Q216 PolarHBondContact O-N 3.45Å
213	F	97.8	Very high	95.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-53.1	-49.4	171.3	173.1	-83.9	0	0	0	111.9	F67 T70 I74 V78 H161 I165 L196 I199 L209 H210 K211 W217	F67-F213 AromaticContact CE2-CD2 3.49Å; F67-F213 HydrophobicContact CE2-CD2 3.49Å; F67-F213 VanDerWaalsContact CE2-CD2 3.49Å; F67-F213 AromaticContact CE2-CE2 3.54Å; F67-F213 HydrophobicContact CE2-CE2 3.54Å; F67-F213 HydrophobicContact CE2-CG 4.03Å; F67-F213 HydrophobicContact CE2-CZ 4.09Å; F67-F213 AromaticContact CZ-CD2 3.81Å; F67-F213 HydrophobicContact CZ-CD2 3.81Å; F67-F213 AromaticContact CZ-CE2 3.36Å; F67-F213 HydrophobicContact CZ-CE2 3.36Å; F67-F213 AromaticContact CZ-CZ 3.89Å; F67-F213 HydrophobicContact CZ-CZ 3.89Å; T70-F213 HydrophobicContact CG2-CB 4.43Å; I74-F213 HydrophobicContact CD1-CB 3.76Å; I74-F213 HydrophobicContact CD1-CD2 4.07Å; I74-F213 HydrophobicContact CD1-CG 4.26Å; V78-F213 HydrophobicContact CG1-CD2 4.1Å; V78-F213 HydrophobicContact CG1-CE2 3.91Å; H161-F213 HydrophobicContact CB-CE1 4.16Å; H161-F213 HydrophobicContact CB-CE2 4.45Å; H161-F213 HydrophobicContact CB-CZ 3.92Å; H161-F213 AromaticContact CD2-CD1 3.52Å; H161-F213 AromaticContact CD2-CD2 3.95Å; H161-F213 AromaticContact CD2-CE1 3.61Å; H161-F213 AromaticContact CD2-CG 3.72Å; H161-F213 AromaticContact CD2-CZ 3.85Å; I165-F213 HydrophobicContact CD1-CZ 4.12Å; I165-F213 HydrophobicContact CG1-CZ 4.03Å; L196-F213 HydrophobicContact CD2-CE1 4.35Å; I199-F213 HydrophobicContact CD1-CD1 4.11Å; I199-F213 HydrophobicContact CD1-CE1 3.9Å; L209-F213 PolarHBondContact O-N 3.36Å; H210-F213 WeakPolarHBondContact O-CB 3.49Å; K211-F213 VanDerWaalsContact C-N 3.29Å; K211-F213 PolarHBondContact O-N 2.89Å; F213-W217 WeakPolarHBondContact O-CB 3.09Å; F213-W217 PolarHBondContact O-N 3.35Å
214	V	98	Very high	95.5	Very high	2 Å²	2	51 Å²	51	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-63.9	-49.1	-179.1	171.3	0	0	0	0	111.1	L196 I199 L200 H210 K211 D212 W217 L218	L196-V214 HydrophobicContact CB-CG1 3.91Å; L196-V214 HydrophobicContact CB-CG2 4.37Å; L196-V214 HydrophobicContact CD2-CB 4.31Å; L196-V214 HydrophobicContact CD2-CG1 4.14Å; L196-V214 HydrophobicContact CD2-CG2 3.94Å; L196-V214 HydrophobicContact CG-CG1 4.42Å; I199-V214 HydrophobicContact CB-CG2 3.8Å; I199-V214 HydrophobicContact CD1-CG2 4.13Å; I199-V214 HydrophobicContact CG2-CG2 3.73Å; L200-V214 HydrophobicContact CD1-CG1 3.97Å; L200-V214 HydrophobicContact CD2-CB 3.96Å; L200-V214 HydrophobicContact CD2-CG1 4.03Å; L200-V214 HydrophobicContact CD2-CG2 4.11Å; L200-V214 HydrophobicContact CG-CB 4.26Å; L200-V214 HydrophobicContact CG-CG1 3.93Å; L200-V214 HydrophobicContact CG-CG2 4.14Å; H210-V214 WeakPolarHBondContact O-CG2 3.48Å; H210-V214 PolarHBondContact O-N 2.83Å; K211-V214 PolarHBondContact O-N 3.31Å; K211-V214 VanDerWaalsContact O-N 3.12Å; D212-V214 VanDerWaalsContact C-N 3.33Å; D212-V214 PolarHBondContact O-N 3.02Å; V214-W217 PolarHBondContact O-N 3.48Å; V214-L218 HydrophobicContact CG1-CD1 4.19Å; V214-L218 WeakPolarHBondContact O-CG 3.09Å; V214-L218 PolarHBondContact O-N 3.22Å; V214-L218 VanDerWaalsContact O-N 3.12Å
215	H	97.5	Very high	95.9	Very high	112 Å²	112	48 Å²	48	52%	0.519	25%	0.246	S	C	.	.	H	α-helix	trans	-66.1	-39.7	-178.5	-68.3	-53.4	0	0	0	112.3	K211 D212 D219	K211-H215 PolarHBondContact O-CD2 3.3Å; K211-H215 PolarHBondContact O-N 3.3Å; D212-H215 PolarHBondContact O-N 3.16Å; H215-D219 WeakPolarHBondContact O-CB 3.46Å; H215-D219 PolarHBondContact O-N 2.97Å
216	Q	98.2	Very high	96.3	Very high	16 Å²	16	44 Å²	44	8%	0.075	23%	0.23	C	C	.	.	H	α-helix	trans	-72.3	-35.5	178.9	-68.4	178	31.3	0	0	112.2	K66 F67 T70 D212 D219 V220	K66-Q216 HydrophobicContact CD-CG 4.39Å; K66-Q216 PolarHBondContact O-OE1 2.92Å; K66-Q216 VanDerWaalsContact O-OE1 3.08Å; F67-Q216 HydrophobicContact CB-CB 4.29Å; F67-Q216 HydrophobicContact CD2-CB 3.99Å; T70-Q216 PolarHBondContact OG1-NE2 3.34Å; T70-Q216 PolarHBondContact OG1-OE1 3.22Å; D212-Q216 WeakPolarHBondContact O-CB 3.25Å; D212-Q216 WeakPolarHBondContact O-CG 3.46Å; D212-Q216 PolarHBondContact O-N 3.45Å; Q216-D219 PolarHBondContact O-N 3.16Å; Q216-V220 WeakPolarHBondContact O-CG2 3.49Å; Q216-V220 PolarHBondContact O-N 3.41Å
217	W	98.3	Very high	96.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.8	-42.9	173.7	-177.3	-122.6	0	0	0	112.2	F67 V85 F89 I165 S168 I169 F213 V214 D219 V220 L221	F67-W217 HydrophobicContact CD1-CE3 4.22Å; F67-W217 HydrophobicContact CD2-CB 4.15Å; F67-W217 AromaticContact CE1-CE3 3.92Å; F67-W217 HydrophobicContact CE1-CE3 3.92Å; F67-W217 HydrophobicContact CE1-CZ3 4.38Å; F67-W217 HydrophobicContact CE2-CB 3.7Å; F67-W217 HydrophobicContact CE2-CE3 4.29Å; F67-W217 HydrophobicContact CE2-CG 4.42Å; F67-W217 HydrophobicContact CZ-CB 4.29Å; F67-W217 HydrophobicContact CZ-CD2 4.4Å; F67-W217 AromaticContact CZ-CE3 3.96Å; F67-W217 HydrophobicContact CZ-CE3 3.96Å; V85-W217 HydrophobicContact CG1-CH2 4.34Å; V85-W217 HydrophobicContact CG1-CZ3 3.75Å; F89-W217 HydrophobicContact CE2-CH2 4.4Å; F89-W217 HydrophobicContact CE2-CZ3 4.36Å; I165-W217 HydrophobicContact CD1-CD2 3.33Å; I165-W217 HydrophobicContact CD1-CE3 3.76Å; I165-W217 HydrophobicContact CD1-CG 3.72Å; I165-W217 HydrophobicContact CD1-CH2 4.15Å; I165-W217 HydrophobicContact CD1-CZ2 3.74Å; I165-W217 HydrophobicContact CD1-CZ3 4.16Å; S168-W217 WeakPolarHBondContact OG-CZ2 3.24Å; S168-W217 PolarHBondContact OG-NE1 3.28Å; I169-W217 HydrophobicContact CD1-CH2 4.14Å; F213-W217 WeakPolarHBondContact O-CB 3.09Å; F213-W217 PolarHBondContact O-N 3.35Å; V214-W217 PolarHBondContact O-N 3.48Å; W217-D219 VanDerWaalsContact C-N 3.3Å; W217-D219 PolarHBondContact O-N 3.32Å; W217-V220 HydrophobicContact CE3-CB 4.13Å; W217-V220 HydrophobicContact CE3-CG1 4.15Å; W217-V220 HydrophobicContact CZ3-CB 4.31Å; W217-V220 HydrophobicContact CZ3-CG1 3.81Å; W217-V220 PolarHBondContact O-N 2.82Å; W217-L221 HydrophobicContact CD2-CG 4.49Å; W217-L221 HydrophobicContact CH2-CD2 4.08Å; W217-L221 HydrophobicContact CH2-CG 4.43Å; W217-L221 HydrophobicContact CZ2-CD1 3.92Å; W217-L221 HydrophobicContact CZ2-CD2 3.89Å; W217-L221 HydrophobicContact CZ2-CG 3.99Å; W217-L221 PolarHBondContact O-N 3.25Å; W217-L221 VanDerWaalsContact O-N 3.13Å
218	L	97.8	Very high	96.9	Very high	44 Å²	44	34.7 Å²	34.7	23%	0.23	19%	0.186	C	C	.	.	H	α-helix	trans	-63.2	-37	173.7	-69.6	174.3	0	0	0	112.1	M189 Q193 L196 V214 G222	M189-L218 HydrophobicContact CG-CD2 3.85Å; M189-L218 HydrophobicContact SD-CD2 4.25Å; Q193-L218 VanDerWaalsContact NE2-CD2 3.32Å; L196-L218 HydrophobicContact CD1-CD1 4.44Å; L196-L218 HydrophobicContact CD1-CD2 3.66Å; L196-L218 HydrophobicContact CD1-CG 3.97Å; V214-L218 HydrophobicContact CG1-CD1 4.19Å; V214-L218 WeakPolarHBondContact O-CG 3.09Å; V214-L218 PolarHBondContact O-N 3.22Å; V214-L218 VanDerWaalsContact O-N 3.12Å; L218-G222 PolarHBondContact O-N 2.99Å
219	D	98	Very high	96.9	Very high	58 Å²	58	37.6 Å²	37.6	31%	0.31	19%	0.191	S	C	.	.	H	α-helix	trans	-63.9	-45.6	173.3	-177.6	59	0	0	0	111.5	S63 H215 Q216 W217 L221 G222 Q223	S63-D219 WeakPolarHBondContact CB-OD2 3.38Å; S63-D219 PolarHBondContact OG-OD2 3.23Å; H215-D219 WeakPolarHBondContact O-CB 3.46Å; H215-D219 PolarHBondContact O-N 2.97Å; Q216-D219 PolarHBondContact O-N 3.16Å; W217-D219 VanDerWaalsContact C-N 3.3Å; W217-D219 PolarHBondContact O-N 3.32Å; D219-L221 PolarHBondContact O-N 3.32Å; D219-G222 CarbonylContact O-C 3.57Å; D219-G222 WeakPolarHBondContact O-CA 3.21Å; D219-G222 PolarHBondContact O-N 3.1Å; D219-G222 VanDerWaalsContact O-N 3.08Å; D219-Q223 WeakPolarHBondContact O-CG 2.89Å; D219-Q223 PolarHBondContact O-N 2.98Å; D219-Q223 PolarHBondContact OD1-NE2 3.27Å; D219-Q223 VanDerWaalsContact OD1-NE2 3.16Å
220	V	98.5	Very high	96.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-53.6	-51.4	175.6	167.4	0	0	0	0	111.7	S63 V64 F67 F89 Q216 W217 G222 Q223 L224	S63-V220 WeakPolarHBondContact O-CG2 3.18Å; V64-V220 HydrophobicContact CG2-CG1 3.75Å; V64-V220 HydrophobicContact CG2-CG2 4.08Å; F67-V220 HydrophobicContact CB-CG2 3.99Å; F67-V220 HydrophobicContact CG-CG2 4.48Å; F89-V220 HydrophobicContact CE1-CG1 4.12Å; F89-V220 HydrophobicContact CE2-CG1 3.94Å; F89-V220 HydrophobicContact CZ-CG1 3.54Å; Q216-V220 WeakPolarHBondContact O-CG2 3.49Å; Q216-V220 PolarHBondContact O-N 3.41Å; W217-V220 HydrophobicContact CE3-CB 4.13Å; W217-V220 HydrophobicContact CE3-CG1 4.15Å; W217-V220 HydrophobicContact CZ3-CB 4.31Å; W217-V220 HydrophobicContact CZ3-CG1 3.81Å; W217-V220 PolarHBondContact O-N 2.82Å; V220-G222 VanDerWaalsContact C-N 3.32Å; V220-G222 PolarHBondContact O-N 3.33Å; V220-Q223 PolarHBondContact O-N 3.31Å; V220-L224 WeakPolarHBondContact O-CB 3.23Å; V220-L224 PolarHBondContact O-N 3.24Å
221	L	98.1	Very high	96.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-68	-32.9	178.7	-64.4	-179.8	0	0	0	112.1	A171 M189 W217 D219 K225	A171-L221 HydrophobicContact CB-CD2 3.8Å; M189-L221 HydrophobicContact CB-CB 4.34Å; M189-L221 HydrophobicContact CB-CD1 3.9Å; M189-L221 HydrophobicContact CG-CB 4.11Å; M189-L221 HydrophobicContact CG-CD1 3.89Å; M189-L221 HydrophobicContact SD-CB 4.01Å; W217-L221 HydrophobicContact CD2-CG 4.49Å; W217-L221 HydrophobicContact CH2-CD2 4.08Å; W217-L221 HydrophobicContact CH2-CG 4.43Å; W217-L221 HydrophobicContact CZ2-CD1 3.92Å; W217-L221 HydrophobicContact CZ2-CD2 3.89Å; W217-L221 HydrophobicContact CZ2-CG 3.99Å; W217-L221 PolarHBondContact O-N 3.25Å; W217-L221 VanDerWaalsContact O-N 3.13Å; D219-L221 PolarHBondContact O-N 3.32Å; L221-K225 VanDerWaalsContact O-CB 3.29Å; L221-K225 WeakPolarHBondContact O-CB 3.48Å; L221-K225 PolarHBondContact O-N 3.16Å
222	G	97.6	Very high	96.2	Very high	22 Å²	22	38.5 Å²	38.5	23%	0.227	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-43	174.9	0	0	0	0	0	113.5	L218 D219 V220 K225 S226	L218-G222 PolarHBondContact O-N 2.99Å; D219-G222 CarbonylContact O-C 3.57Å; D219-G222 WeakPolarHBondContact O-CA 3.21Å; D219-G222 PolarHBondContact O-N 3.1Å; D219-G222 VanDerWaalsContact O-N 3.08Å; V220-G222 VanDerWaalsContact C-N 3.32Å; V220-G222 PolarHBondContact O-N 3.33Å; G222-K225 PolarHBondContact O-N 3.04Å; G222-S226 WeakPolarHBondContact O-CB 3.36Å; G222-S226 PolarHBondContact O-N 3.25Å; G222-S226 PolarHBondContact O-OG 3.44Å
223	Q	97.8	Very high	95.7	Very high	59 Å²	59	39.3 Å²	39.3	28%	0.276	21%	0.209	S	C	.	.	H	α-helix	trans	-65.4	-45.3	174.2	-65.4	-53.6	-26.2	0	0	110.4	V60 S63 D219 V220 K225 S226 Y227	V60-Q223 HydrophobicContact CG2-CB 4.42Å; S63-Q223 WeakPolarHBondContact OG-CG 3.38Å; D219-Q223 WeakPolarHBondContact O-CG 2.89Å; D219-Q223 PolarHBondContact O-N 2.98Å; D219-Q223 PolarHBondContact OD1-NE2 3.27Å; D219-Q223 VanDerWaalsContact OD1-NE2 3.16Å; V220-Q223 PolarHBondContact O-N 3.31Å; Q223-K225 VanDerWaalsContact C-N 3.34Å; Q223-K225 PolarHBondContact O-N 3.25Å; Q223-S226 PolarHBondContact O-N 2.9Å; Q223-S226 VanDerWaalsContact O-N 3.13Å; Q223-Y227 WeakPolarHBondContact O-CB 3.35Å; Q223-Y227 PolarHBondContact O-N 3.46Å
224	L	97.7	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57.7	-47.3	175.8	-177.7	63.9	0	0	0	111.4	F56 V60 F89 I185 V220 S226 Y227 V228	F56-L224 HydrophobicContact CE2-CD1 4.13Å; V60-L224 HydrophobicContact CG1-CD1 4.45Å; F89-L224 HydrophobicContact CE1-CD1 4.36Å; F89-L224 HydrophobicContact CE1-CD2 4.1Å; F89-L224 HydrophobicContact CZ-CD2 4.27Å; I185-L224 HydrophobicContact CD1-CG 4.24Å; V220-L224 WeakPolarHBondContact O-CB 3.23Å; V220-L224 PolarHBondContact O-N 3.24Å; L224-S226 VanDerWaalsContact C-N 3.31Å; L224-S226 PolarHBondContact O-N 3.2Å; L224-Y227 PolarHBondContact O-N 3.34Å; L224-V228 HydrophobicContact CD1-CG2 4.35Å; L224-V228 VanDerWaalsContact O-CG2 3.28Å; L224-V228 WeakPolarHBondContact O-CG2 3.08Å; L224-V228 PolarHBondContact O-N 2.93Å
225	K	96.6	Very high	94.4	Very high	69 Å²	69	44.6 Å²	44.6	30%	0.3	24%	0.242	S	C	.	.	H	α-helix	trans	-59	-42.5	176.3	-174.7	-177.7	176.4	178.1	0	112.1	V182 I185 A186 L221 G222 Q223 K229	V182-K225 HydrophobicContact CG1-CD 4.42Å; V182-K225 HydrophobicContact CG1-CG 3.79Å; I185-K225 HydrophobicContact CG2-CB 3.88Å; I185-K225 HydrophobicContact CG2-CG 4.47Å; A186-K225 HydrophobicContact CB-CD 4.42Å; L221-K225 VanDerWaalsContact O-CB 3.29Å; L221-K225 WeakPolarHBondContact O-CB 3.48Å; L221-K225 PolarHBondContact O-N 3.16Å; G222-K225 PolarHBondContact O-N 3.04Å; Q223-K225 VanDerWaalsContact C-N 3.34Å; Q223-K225 PolarHBondContact O-N 3.25Å; K225-K229 WeakPolarHBondContact O-CB 3.42Å; K225-K229 PolarHBondContact O-N 3.3Å
226	S	96.5	Very high	93.9	Very high	64 Å²	64	40.3 Å²	40.3	45%	0.448	22%	0.222	S	C	.	.	H	α-helix	trans	-67.4	-43.6	-179.9	-59.5	0	0	0	0	111.4	G222 Q223 L224 K229 V230	G222-S226 WeakPolarHBondContact O-CB 3.36Å; G222-S226 PolarHBondContact O-N 3.25Å; G222-S226 PolarHBondContact O-OG 3.44Å; Q223-S226 PolarHBondContact O-N 2.9Å; Q223-S226 VanDerWaalsContact O-N 3.13Å; L224-S226 VanDerWaalsContact C-N 3.31Å; L224-S226 PolarHBondContact O-N 3.2Å; S226-K229 WeakPolarHBondContact O-CB 3.4Å; S226-K229 PolarHBondContact O-N 2.97Å; S226-V230 WeakPolarHBondContact O-CG2 3.37Å; S226-V230 PolarHBondContact O-N 3.18Å
227	Y	95.9	Very high	93.2	Very high	8 Å²	8	41.7 Å²	41.7	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-57.2	-52.5	173.9	171.6	-96	0	0	0	112.1	V52 D55 F56 V60 I96 W174 Q223 L224 K229 V230 H231 H232	V52-Y227 WeakPolarHBondContact CG1-OH 3.28Å; V52-Y227 VanDerWaalsContact O-CE2 3.23Å; V52-Y227 WeakPolarHBondContact O-CE2 3.48Å; V52-Y227 PolarHBondContact O-OH 3.47Å; D55-Y227 HydrophobicContact CB-CD2 4.36Å; D55-Y227 HydrophobicContact CB-CE2 4.18Å; F56-Y227 HydrophobicContact CB-CD2 4.27Å; F56-Y227 HydrophobicContact CB-CE2 3.65Å; F56-Y227 AromaticContact CD2-CD1 3.88Å; F56-Y227 HydrophobicContact CD2-CD1 3.88Å; F56-Y227 HydrophobicContact CD2-CD2 4.28Å; F56-Y227 AromaticContact CD2-CE1 3.65Å; F56-Y227 HydrophobicContact CD2-CE1 3.65Å; F56-Y227 HydrophobicContact CD2-CE2 4.06Å; F56-Y227 HydrophobicContact CD2-CG 4.18Å; F56-Y227 AromaticContact CD2-CZ 3.72Å; F56-Y227 HydrophobicContact CE2-CD1 4.45Å; F56-Y227 HydrophobicContact CE2-CE1 4.38Å; F56-Y227 HydrophobicContact CG-CE2 4.38Å; V60-Y227 HydrophobicContact CG2-CG 4.17Å; I96-Y227 HydrophobicContact CD1-CE1 4.18Å; W174-Y227 HydrophobicContact CZ2-CE1 4.39Å; Q223-Y227 WeakPolarHBondContact O-CB 3.35Å; Q223-Y227 PolarHBondContact O-N 3.46Å; L224-Y227 PolarHBondContact O-N 3.34Å; Y227-K229 VanDerWaalsContact C-N 3.25Å; Y227-K229 PolarHBondContact O-N 2.84Å; Y227-V230 PolarHBondContact O-N 3.37Å; Y227-H231 AromaticContact CD2-CD2 3.69Å; Y227-H231 AromaticContact CE2-CD2 3.46Å; Y227-H231 VanDerWaalsContact CE2-CD2 3.46Å; Y227-H231 WeakPolarHBondContact CE2-CD2 3.14Å; Y227-H231 PolarHBondContact O-N 3.23Å; Y227-H232 AromaticContact CE1-CD2 3.91Å
228	V	94.9	Very high	92.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-34	179.9	174	0	0	0	0	111.4	W174 P181 V182 I185 L224 V230 H232 T233	W174-V228 HydrophobicContact CD2-CG1 4.17Å; W174-V228 HydrophobicContact CD2-CG2 3.52Å; W174-V228 HydrophobicContact CE3-CG1 3.76Å; W174-V228 HydrophobicContact CE3-CG2 3.83Å; W174-V228 HydrophobicContact CG-CG2 4.13Å; W174-V228 HydrophobicContact CH2-CG2 3.98Å; W174-V228 HydrophobicContact CZ2-CG2 3.62Å; W174-V228 HydrophobicContact CZ3-CG1 4.08Å; W174-V228 HydrophobicContact CZ3-CG2 4.06Å; P181-V228 HydrophobicContact CB-CG1 3.83Å; P181-V228 HydrophobicContact CG-CG1 3.85Å; V182-V228 HydrophobicContact CG2-CB 4.24Å; V182-V228 HydrophobicContact CG2-CG1 3.78Å; I185-V228 HydrophobicContact CD1-CB 3.94Å; I185-V228 HydrophobicContact CD1-CG1 4.07Å; I185-V228 HydrophobicContact CD1-CG2 3.73Å; L224-V228 HydrophobicContact CD1-CG2 4.35Å; L224-V228 VanDerWaalsContact O-CG2 3.28Å; L224-V228 WeakPolarHBondContact O-CG2 3.08Å; L224-V228 PolarHBondContact O-N 2.93Å; V228-V230 VanDerWaalsContact C-N 3.27Å; V228-V230 PolarHBondContact O-N 3.4Å; V228-H232 HydrophobicContact CG1-CB 4.01Å; V228-H232 CarbonylContact O-C 3.58Å; V228-H232 VanDerWaalsContact O-CA 3.29Å; V228-H232 WeakPolarHBondContact O-CA 3.42Å; V228-H232 PolarHBondContact O-N 3.3Å; V228-T233 PolarHBondContact O-N 3.03Å
229	K	93.5	Very high	91.3	Very high	141 Å²	141	43.3 Å²	43.3	61%	0.613	24%	0.24	S	C	*	.	H	α-helix	trans	-65.1	-29.6	175.4	-173.7	-178.4	176.2	-172	0	113	V182 K225 S226 Y227 T233	V182-K229 HydrophobicContact CG2-CB 3.86Å; K225-K229 WeakPolarHBondContact O-CB 3.42Å; K225-K229 PolarHBondContact O-N 3.3Å; S226-K229 WeakPolarHBondContact O-CB 3.4Å; S226-K229 PolarHBondContact O-N 2.97Å; Y227-K229 VanDerWaalsContact C-N 3.25Å; Y227-K229 PolarHBondContact O-N 2.84Å; K229-T233 WeakPolarHBondContact O-CG2 3.37Å
230	V	91.5	Very high	89.3	Confident	105 Å²	105	44.9 Å²	44.9	64%	0.636	26%	0.261	S	S	*	.	H	α-helix	trans	-82.2	-48.6	178.1	174.7	0	0	0	0	110.7	S226 Y227 V228	S226-V230 WeakPolarHBondContact O-CG2 3.37Å; S226-V230 PolarHBondContact O-N 3.18Å; Y227-V230 PolarHBondContact O-N 3.37Å; V228-V230 VanDerWaalsContact C-N 3.27Å; V228-V230 PolarHBondContact O-N 3.4Å
231	H	89.6	Confident	86.9	Confident	38 Å²	38	49.6 Å²	49.6	18%	0.176	29%	0.286	C	S	.	.	H	α-helix	trans	-98.6	-24.2	-167.6	-68.3	-66.7	0	0	0	115	D55 Y227 S237	D55-H231 IonicContact OD2-CE1 2.9Å; D55-H231 PolarHBondContact OD2-CE1 3.04Å; D55-H231 VanDerWaalsContact OD2-CE1 3.28Å; D55-H231 IonicContact OD2-NE2 2.75Å; D55-H231 PolarHBondContact OD2-NE2 3.03Å; Y227-H231 AromaticContact CD2-CD2 3.69Å; Y227-H231 AromaticContact CE2-CD2 3.46Å; Y227-H231 VanDerWaalsContact CE2-CD2 3.46Å; Y227-H231 WeakPolarHBondContact CE2-CD2 3.14Å; Y227-H231 PolarHBondContact O-N 3.23Å; H231-S237 PolarHBondContact O-OG 2.79Å
232	H	89.8	Confident	84	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	32%	0.319	C	S	.	.			trans	-140.5	50.2	-164.1	-60	-57	0	0	0	113	W174 P181 Y227 V228 V234 G235 F236 S237	W174-H232 HydrophobicContact CE3-CB 4.47Å; W174-H232 HydrophobicContact CH2-CB 3.91Å; W174-H232 AromaticContact CH2-CD2 3.15Å; W174-H232 WeakPolarHBondContact CH2-CD2 3.3Å; W174-H232 AromaticContact CH2-CG 3.54Å; W174-H232 AromaticContact CH2-NE2 3.76Å; W174-H232 HydrophobicContact CZ3-CB 3.51Å; W174-H232 AromaticContact CZ3-CD2 3.74Å; W174-H232 AromaticContact CZ3-CG 3.64Å; P181-H232 WeakPolarHBondContact CG-O 3.29Å; Y227-H232 AromaticContact CE1-CD2 3.91Å; V228-H232 HydrophobicContact CG1-CB 4.01Å; V228-H232 CarbonylContact O-C 3.58Å; V228-H232 VanDerWaalsContact O-CA 3.29Å; V228-H232 WeakPolarHBondContact O-CA 3.42Å; V228-H232 PolarHBondContact O-N 3.3Å; H232-V234 PolarHBondContact O-N 2.78Å; H232-G235 CarbonylContact C-O 3.58Å; H232-G235 WeakPolarHBondContact CA-O 3.45Å; H232-G235 WeakPolarHBondContact CB-O 3.45Å; H232-G235 PolarHBondContact O-N 3.28Å; H232-F236 AromaticContact CE1-CE2 3.95Å; H232-S237 WeakPolarHBondContact ND1-CB 3.15Å; H232-S237 PolarHBondContact ND1-N 3.15Å; H232-S237 PolarHBondContact ND1-OG 2.72Å
233	T	86	Confident	81.4	Confident	86 Å²	86	56.9 Å²	56.9	53%	0.528	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-40.3	-170.1	48.3	0	0	0	0	115	V228 K229	V228-T233 PolarHBondContact O-N 3.03Å; K229-T233 WeakPolarHBondContact O-CG2 3.37Å
234	V	84	Confident	78.4	Confident	104 Å²	104	60.7 Å²	60.7	63%	0.63	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	16.2	-174.9	-65.3	0	0	0	0	113.3	P179 H232	P179-V234 WeakPolarHBondContact CA-O 3.49Å; P179-V234 CarbonylContact O-C 3.52Å; P179-V234 WeakPolarHBondContact O-CA 3.37Å; H232-V234 PolarHBondContact O-N 2.78Å
235	G	85.4	Confident	75.5	Confident	8 Å²	8	63.1 Å²	63.1	8%	0.082	39%	0.392	C	S	.	.	S	Bend	trans	125	-179.1	-170.7	0	0	0	0	0	111	H232 S237	H232-G235 CarbonylContact C-O 3.58Å; H232-G235 WeakPolarHBondContact CA-O 3.45Å; H232-G235 WeakPolarHBondContact CB-O 3.45Å; H232-G235 PolarHBondContact O-N 3.28Å; G235-S237 PolarHBondContact O-N 3.49Å
236	F	85.9	Confident	72.3	Confident	22 Å²	22	65.8 Å²	65.8	10%	0.096	42%	0.415	C	S	.	.			trans	-64.9	131.7	-179.9	-163.7	-83.6	0	0	0	111.7	F95 I96 A99 W174 V175 H232 W238	F95-F236 HydrophobicContact CD1-CE2 4.17Å; F95-F236 AromaticContact CE1-CD2 3.94Å; F95-F236 HydrophobicContact CE1-CD2 3.94Å; F95-F236 AromaticContact CE1-CE2 3.65Å; F95-F236 HydrophobicContact CE1-CE2 3.65Å; F95-F236 HydrophobicContact CE1-CZ 4.01Å; I96-F236 HydrophobicContact CG1-CE2 4.2Å; A99-F236 HydrophobicContact CB-CD1 4.47Å; A99-F236 HydrophobicContact CB-CE1 3.41Å; A99-F236 VanDerWaalsContact CB-CE1 3.41Å; A99-F236 HydrophobicContact CB-CZ 3.44Å; A99-F236 VanDerWaalsContact CB-CZ 3.44Å; W174-F236 AromaticContact CH2-CD2 3.6Å; W174-F236 HydrophobicContact CH2-CD2 3.6Å; W174-F236 AromaticContact CH2-CE2 3.96Å; W174-F236 HydrophobicContact CH2-CE2 3.96Å; W174-F236 AromaticContact CZ3-CD2 3.88Å; W174-F236 HydrophobicContact CZ3-CD2 3.88Å; V175-F236 HydrophobicContact CB-CD2 4.1Å; V175-F236 HydrophobicContact CG1-CD2 3.96Å; V175-F236 HydrophobicContact CG1-CE2 4.27Å; H232-F236 AromaticContact CE1-CE2 3.95Å; F236-W238 AromaticContact CD1-CD1 3.89Å; F236-W238 AromaticContact CD1-CD2 3.75Å; F236-W238 HydrophobicContact CD1-CD2 3.75Å; F236-W238 AromaticContact CD1-CE2 3.45Å; F236-W238 VanDerWaalsContact CD1-CE2 3.45Å; F236-W238 HydrophobicContact CD1-CE3 4.36Å; F236-W238 HydrophobicContact CD1-CG 4.02Å; F236-W238 HydrophobicContact CD1-CH2 4.42Å; F236-W238 AromaticContact CD1-CZ2 3.79Å; F236-W238 HydrophobicContact CD1-CZ2 3.79Å; F236-W238 AromaticContact CD1-NE1 3.55Å; F236-W238 HydrophobicContact CE1-CD2 4.13Å; F236-W238 HydrophobicContact CE1-CE3 4.3Å; F236-W238 HydrophobicContact CE1-CZ2 4.34Å; F236-W238 HydrophobicContact CG-CZ2 4.32Å; F236-W238 VanDerWaalsContact O-CD1 3.22Å
237	S	84.7	Confident	69.4	Low	45 Å²	45	69.2 Å²	69.2	32%	0.315	42%	0.422	S	S	.	.			trans	-94.1	103.8	-176.7	-52.4	0	0	0	0	109	Y49 H231 H232 G235	Y49-S237 VanDerWaalsContact OH-C 3.31Å; Y49-S237 PolarHBondContact OH-O 3.33Å; H231-S237 PolarHBondContact O-OG 2.79Å; H232-S237 WeakPolarHBondContact ND1-CB 3.15Å; H232-S237 PolarHBondContact ND1-N 3.15Å; H232-S237 PolarHBondContact ND1-OG 2.72Å; G235-S237 PolarHBondContact O-N 3.49Å
238	W	82.4	Confident	66.2	Low	42 Å²	42	76.5 Å²	76.5	16%	0.159	45%	0.454	C	S	.	.			trans	-90.4	152.2	-178.5	-62.3	87	0	0	0	112	Y49 F95 A99 K104 P105 M110 L113 F236 A240	Y49-W238 WeakPolarHBondContact OH-CA 3.42Å; Y49-W238 PolarHBondContact OH-O 3.01Å; Y49-W238 VanDerWaalsContact OH-O 3.05Å; F95-W238 AromaticContact CZ-CH2 3.89Å; F95-W238 HydrophobicContact CZ-CH2 3.89Å; F95-W238 HydrophobicContact CZ-CZ2 4.19Å; A99-W238 HydrophobicContact CB-CE3 4.02Å; A99-W238 HydrophobicContact CB-CH2 3.88Å; A99-W238 HydrophobicContact CB-CZ3 3.47Å; A99-W238 VanDerWaalsContact CB-CZ3 3.47Å; K104-W238 HydrophobicContact CB-CB 3.92Å; K104-W238 HydrophobicContact CB-CD2 3.76Å; K104-W238 HydrophobicContact CB-CE3 4.32Å; K104-W238 HydrophobicContact CB-CG 3.53Å; K104-W238 HydrophobicContact CD-CG 4.46Å; K104-W238 HydrophobicContact CG-CD2 4Å; K104-W238 HydrophobicContact CG-CG 3.99Å; P105-W238 HydrophobicContact CG-CH2 4.09Å; P105-W238 HydrophobicContact CG-CZ3 4.14Å; M110-W238 HydrophobicContact CE-CH2 3.7Å; M110-W238 HydrophobicContact CE-CZ2 3.3Å; M110-W238 HydrophobicContact SD-CH2 3.67Å; M110-W238 HydrophobicContact SD-CZ2 3.64Å; L113-W238 HydrophobicContact CD2-CH2 3.95Å; L113-W238 HydrophobicContact CD2-CZ3 4.15Å; F236-W238 AromaticContact CD1-CD1 3.89Å; F236-W238 AromaticContact CD1-CD2 3.75Å; F236-W238 HydrophobicContact CD1-CD2 3.75Å; F236-W238 AromaticContact CD1-CE2 3.45Å; F236-W238 VanDerWaalsContact CD1-CE2 3.45Å; F236-W238 HydrophobicContact CD1-CE3 4.36Å; F236-W238 HydrophobicContact CD1-CG 4.02Å; F236-W238 HydrophobicContact CD1-CH2 4.42Å; F236-W238 AromaticContact CD1-CZ2 3.79Å; F236-W238 HydrophobicContact CD1-CZ2 3.79Å; F236-W238 AromaticContact CD1-NE1 3.55Å; F236-W238 HydrophobicContact CE1-CD2 4.13Å; F236-W238 HydrophobicContact CE1-CE3 4.3Å; F236-W238 HydrophobicContact CE1-CZ2 4.34Å; F236-W238 HydrophobicContact CG-CZ2 4.32Å; F236-W238 VanDerWaalsContact O-CD1 3.22Å; W238-A240 PolarHBondContact O-N 3.4Å
239	N	73.1	Confident	63.4	Low	36 Å²	36	80.5 Å²	80.5	19%	0.193	47%	0.474	C	S	.	.			trans	-64	134.2	177.5	-168.3	-14.1	0	0	0	109.7	Y49 S102 L241	Y49-N239 HydrophobicContact CD2-CB 4.37Å; Y49-N239 HydrophobicContact CE2-CB 3.74Å; Y49-N239 WeakPolarHBondContact OH-CA 3.13Å; Y49-N239 PolarHBondContact OH-N 3.5Å; S102-N239 WeakPolarHBondContact O-CB 3.1Å; S102-N239 PolarHBondContact O-N 2.92Å; N239-L241 PolarHBondContact OD1-N 2.74Å
240	A	56.2	Low	60.4	Low	92 Å²	92	79 Å²	79	76%	0.76	48%	0.482	S	S	*	.			trans	-87.6	-10	-172.2	0	0	0	0	0	113.9	W238	W238-A240 PolarHBondContact O-N 3.4Å
241	L	47	Very low	57.4	Low	99 Å²	99	78.7 Å²	78.7	52%	0.518	48%	0.484	S	S	.	.	S	Bend	trans	-81.8	123.3	-177.8	-85.3	150.6	0	0	0	111.5	E45 T103 N239 A243	E45-L241 VanDerWaalsContact OE2-CD1 3.25Å; E45-L241 WeakPolarHBondContact OE2-CD1 3.24Å; T103-L241 WeakPolarHBondContact CG2-O 3.3Å; N239-L241 PolarHBondContact OD1-N 2.74Å; L241-A243 PolarHBondContact O-N 3.4Å
242	P	37.4	Very low	54.7	Low	110 Å²	110	81 Å²	81	71%	0.714	50%	0.498	S	S	*	.			trans	-63.3	100.1	172.5	27.1	-31.4	0	0	0	107.9	S244	P242-S244 PolarHBondContact O-N 3.31Å
243	A	42.7	Very low	52	Low	66 Å²	66	85.6 Å²	85.6	55%	0.545	53%	0.53	S	S	.	.			trans	-55.2	111	171.5	0	0	0	0	0	107.1	L241 G245	L241-A243 PolarHBondContact O-N 3.4Å; A243-G245 PolarHBondContact O-N 3.2Å
244	S	35.7	Very low	49.3	Very low	138 Å²	138	90.8 Å²	90.8	97%	0.965	55%	0.548	S	S	*	.	S	Bend	trans	-67	20.7	173.7	-168.1	0	0	0	0	112.6	P242	P242-S244 PolarHBondContact O-N 3.31Å
245	G	36	Very low	46.8	Very low	51 Å²	51	92 Å²	92	53%	0.526	56%	0.555	S	S	.	*	S	Bend	trans	-122.9	103.1	171.5	0	0	0	0	0	108.6	A243 F247	A243-G245 PolarHBondContact O-N 3.2Å; G245-F247 PolarHBondContact O-N 3.44Å; G245-F247 VanDerWaalsContact O-N 3.09Å
246	T	31	Very low	44.1	Very low	126 Å²	126	94.8 Å²	94.8	77%	0.773	59%	0.585	S	S	*	*			trans	-43.8	116.8	165.2	44.9	0	0	0	0	110.2	K248	T246-K248 PolarHBondContact O-N 3.42Å
247	F	34.6	Very low	41.7	Very low	135 Å²	135	100.5 Å²	100.5	59%	0.592	61%	0.61	S	S	*	*			trans	-57.8	102.6	175.4	-177.6	-98.6	0	0	0	109.9	G245 I249	G245-F247 PolarHBondContact O-N 3.44Å; G245-F247 VanDerWaalsContact O-N 3.09Å; F247-I249 HydrophobicContact CD1-CG1 3.97Å; F247-I249 HydrophobicContact CE1-CG1 3.98Å; F247-I249 PolarHBondContact O-N 3.14Å
248	K	29.6	Very low	39.2	Very low	161 Å²	161	107.2 Å²	107.2	70%	0.7	63%	0.633	S	S	*	*			trans	-81.8	108.7	174.4	-73	-175.2	-179.7	176.8	0	108.7	T246 S250	T246-K248 PolarHBondContact O-N 3.42Å; K248-S250 PolarHBondContact O-N 3.28Å
249	I	35.4	Very low	36.8	Very low	84 Å²	84	108.5 Å²	108.5	43%	0.431	64%	0.638	S	S	.	*	G	3₁₀ helix	trans	-56.3	-4.9	178	-68	170.3	0	0	0	113.8	F247 S251	F247-I249 HydrophobicContact CD1-CG1 3.97Å; F247-I249 HydrophobicContact CE1-CG1 3.98Å; F247-I249 PolarHBondContact O-N 3.14Å; I249-S251 VanDerWaalsContact C-N 3.32Å; I249-S251 PolarHBondContact O-N 2.84Å
250	S	31.4	Very low	34.7	Very low	110 Å²	110	112.2 Å²	112.2	77%	0.769	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-76	-7.6	-175.2	54.7	0	0	0	0	115.6	K248	K248-S250 PolarHBondContact O-N 3.28Å
251	S	28	Very low	33.3	Very low	98 Å²	98	112.6 Å²	112.6	69%	0.685	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-96	13	175.9	83	0	0	0	0	114.4	I249 S253	I249-S251 VanDerWaalsContact C-N 3.32Å; I249-S251 PolarHBondContact O-N 2.84Å; S251-S253 PolarHBondContact O-N 3.41Å
252	L	31.5	Very low	32.4	Very low	88 Å²	88	112.1 Å²	112.1	46%	0.461	66%	0.658	S	S	.	*			trans	-68.3	75.7	159.1	-98.5	80.3	0	0	0	108.1	Q254	L252-Q254 PolarHBondContact O-N 3.44Å
253	S	33.4	Very low	31.8	Very low	97 Å²	97	112.4 Å²	112.4	68%	0.678	66%	0.663	S	S	*	*			trans	-62.8	121	159.9	52.2	0	0	0	0	106.7	S251 T255	S251-S253 PolarHBondContact O-N 3.41Å; S253-T255 PolarHBondContact O-N 3.29Å
254	Q	30.8	Very low	31	Very low	194 Å²	194	117.3 Å²	117.3	91%	0.907	68%	0.68	S	S	*	*			trans	-64.4	80.5	-179	-69.7	171.3	-24.9	0	0	110.1	L252 G256	L252-Q254 PolarHBondContact O-N 3.44Å; Q254-G256 PolarHBondContact O-N 3.06Å
255	T	31	Very low	30.4	Very low	129 Å²	129	114 Å²	114	79%	0.791	67%	0.667	S	S	*	*			trans	-87.3	54.1	153.4	55.3	0	0	0	0	108.1	S253 F257	S253-T255 PolarHBondContact O-N 3.29Å; T255-F257 PolarHBondContact O-N 2.88Å
256	G	28.3	Very low	29.8	Very low	68 Å²	68	118.2 Å²	118.2	70%	0.701	68%	0.682	S	S	*	*			trans	-66.2	95.7	173	0	0	0	0	0	108.6	Q254 K258	Q254-G256 PolarHBondContact O-N 3.06Å; G256-K258 PolarHBondContact O-N 2.72Å
257	F	34.9	Very low	29.4	Very low	142 Å²	142	118.8 Å²	118.8	62%	0.623	69%	0.685	S	S	*	*			trans	-68.8	99.1	173.7	-178.1	-99.5	0	0	0	108.8	L87 T255 W259	L87-F257 HydrophobicContact CD2-CE1 4.13Å; T255-F257 PolarHBondContact O-N 2.88Å; F257-W259 HydrophobicContact CE1-CB 3.95Å
258	K	33.2	Very low	28.8	Very low	186 Å²	186	117.3 Å²	117.3	81%	0.809	69%	0.692	S	S	*	*			trans	-85.7	108.9	165.4	-93.7	-175.5	173.7	-179	0	108.3	G256 T260	G256-K258 PolarHBondContact O-N 2.72Å; K258-T260 PolarHBondContact O-N 2.62Å
259	W	30.8	Very low	28.4	Very low	68 Å²	68	119 Å²	119	26%	0.258	70%	0.703	S	S	.	*			trans	-68.5	118.7	168.6	-174.5	80.3	0	0	0	109.3	V126 F127 F257 T261	V126-W259 HydrophobicContact CG1-CE3 4.32Å; V126-W259 HydrophobicContact CG1-CZ3 3.83Å; F127-W259 HydrophobicContact CD2-CZ2 4.17Å; F257-W259 HydrophobicContact CE1-CB 3.95Å; W259-T261 HydrophobicContact CH2-CG2 4.19Å
260	T	29.3	Very low	27.8	Very low	115 Å²	115	118.9 Å²	118.9	71%	0.706	72%	0.721	S	S	*	*			trans	-107	129.7	171.5	49.7	0	0	0	0	109.8	K258	K258-T260 PolarHBondContact O-N 2.62Å
261	T	28	Very low	27.4	Very low	100 Å²	100	117.2 Å²	117.2	61%	0.613	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-56.9	123.6	-179.3	-38.9	0	0	0	0	111.5	W259 S263	W259-T261 HydrophobicContact CH2-CG2 4.19Å; T261-S263 PolarHBondContact O-N 2.61Å
262	P	27.4	Very low	27.2	Very low	89 Å²	89	121.9 Å²	121.9	58%	0.578	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-68	128.3	174.7	-17.5	30.4	0	0	0	111.1
263	S	25.7	Very low	26.7	Very low	115 Å²	115	124.8 Å²	124.8	80%	0.804	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-69.7	129.8	173.2	47	0	0	0	0	111.3	T261 G265	T261-S263 PolarHBondContact O-N 2.61Å; S263-G265 PolarHBondContact O-N 3.42Å
264	N	24.8	Very low	26.4	Very low	170 Å²	170	128.7 Å²	128.7	91%	0.909	76%	0.759	S	S	*	*			trans	-43.2	101	178.6	-78.1	-10.7	0	0	0	113.5
265	G	22.9	Very low	26.1	Very low	67 Å²	67	129.1 Å²	129.1	69%	0.691	76%	0.758	S	S	*	*			trans	-110.6	104.2	164.6	0	0	0	0	0	109.1	S263 V267	S263-G265 PolarHBondContact O-N 3.42Å; G265-V267 PolarHBondContact O-N 3.23Å
266	V	23.2	Very low	25.8	Very low	140 Å²	140	126.3 Å²	126.3	85%	0.848	76%	0.755	S	S	*	*			trans	-66.9	114.6	174.4	177.7	0	0	0	0	108.5
267	V	22.8	Very low	26.6	Very low	138 Å²	138	128.9 Å²	128.9	84%	0.836	76%	0.759	S	S	*	*			trans	-128.3	117.1	166.3	179.8	0	0	0	0	108.9	G265	G265-V267 PolarHBondContact O-N 3.23Å
268	S	22.6	Very low	26.1	Very low	105 Å²	105	127.5 Å²	127.5	73%	0.734	76%	0.762	S	S	*	*			trans	-68.4	131.2	179.8	-79.5	0	0	0	0	112.9
269	Q	22	Very low	26	Very low	197 Å²	197	125.7 Å²	125.7	92%	0.921	76%	0.761	S	S	*	*			trans	6	121.9	142.8	-64.9	178	-8.6	0	0	118.3
270	G	22.5	Very low	25.6	Very low	80 Å²	80	131.7 Å²	131.7	83%	0.825	79%	0.789	S	S	*	*			trans	-150.1	100.9	153.1	0	0	0	0	0	108
271	G	21.4	Very low	25.5	Very low	75 Å²	75	129.8 Å²	129.8	77%	0.773	79%	0.793	S	S	*	*			trans	-91	148.1	179.3	0	0	0	0	0	112.2
272	E	24.2	Very low	25.9	Very low	196 Å²	196	130.6 Å²	130.6	92%	0.916	80%	0.8	S	S	*	*			trans	-136.3	133.3	157.6	-92	-172.8	145.5	0	0	110.2
273	I	21	Very low	25.7	Very low	150 Å²	150	131.8 Å²	131.8	77%	0.769	81%	0.81	S	S	*	*			trans	-95.3	123.1	-169.1	-62.7	177.5	0	0	0	108.2
274	L	27.1	Very low	25.9	Very low	179 Å²	179	132.1 Å²	132.1	94%	0.937	81%	0.813	S	S	*	*			trans	-121.9	115.7	165.3	-71	176.7	0	0	0	111.4
275	K	24.4	Very low	26	Very low	202 Å²	202	130.9 Å²	130.9	88%	0.878	81%	0.811	S	S	*	*			trans	-73.2	139.8	176.1	-67.8	171.5	172.8	176.8	0	110.6
276	G	26	Very low	26.2	Very low	71 Å²	71	131 Å²	131	73%	0.732	81%	0.812	S	S	*	*				118.6	163.3	110	0	0	0	0	0	114.2
277	P	43.6	Very low	26.5	Very low	121 Å²	121	128.9 Å²	128.9	79%	0.786	81%	0.809	S	S	*	*				-128.6	163.4	-120.9	39.9	-26.7	0	0	0	117.9
278	V	24.7	Very low	26.8	Very low	113 Å²	113	127.9 Å²	127.9	69%	0.685	81%	0.806	S	S	*	*			trans	49	124.8	135.8	176.3	0	0	0	0	121.4	K280	V278-K280 HydrophobicContact CG1-CG 4.46Å
279	N	30.8	Very low	27.3	Very low	148 Å²	148	128.5 Å²	128.5	79%	0.791	81%	0.807	S	S	*	*			trans	-164.1	111.4	133.3	-98.2	-32.7	0	0	0	109.1
280	K	23.6	Very low	27.9	Very low	194 Å²	194	124.9 Å²	124.9	84%	0.843	80%	0.8	S	S	*	*				61.6	112.6	83.9	-77.7	-169.5	178.6	180	0	115.2	V278	V278-K280 HydrophobicContact CG1-CG 4.46Å
281	G	26.2	Very low	28.5	Very low	75 Å²	75	126.8 Å²	126.8	77%	0.773	80%	0.798	S	S	*	*			trans	160	143	151.1	0	0	0	0	0	114.4
282	P	36.6	Very low	29.2	Very low	118 Å²	118	128.9 Å²	128.9	77%	0.766	80%	0.799	S	S	*	*			trans	-115.2	146.4	-137.4	36.3	-23.7	0	0	0	116.4
283	S	23.7	Very low	29.7	Very low	113 Å²	113	125.2 Å²	125.2	79%	0.79	79%	0.792	S	S	*	*				29.4	108.2	126.8	-39.9	0	0	0	0	119.4
284	S	29.4	Very low	30.6	Very low	123 Å²	123	123.8 Å²	123.8	86%	0.86	79%	0.792	S	S	*	*			trans	-125.4	98.5	149.2	57.4	0	0	0	0	109.1	G286	S284-G286 PolarHBondContact O-N 2.98Å
285	V	26.9	Very low	31	Very low	143 Å²	143	120.9 Å²	120.9	87%	0.867	78%	0.784	S	S	*	*			trans	-85	99.6	178.3	-178.7	0	0	0	0	107.7
286	G	28.2	Very low	31.6	Very low	69 Å²	69	117 Å²	117	71%	0.711	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-75.4	133.9	171	0	0	0	0	0	111	S284	S284-G286 PolarHBondContact O-N 2.98Å
287	A	28.4	Very low	32.3	Very low	96 Å²	96	119 Å²	119	79%	0.793	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-64.5	147.5	-176.3	0	0	0	0	0	113.2
288	P	29.1	Very low	31.9	Very low	118 Å²	118	121.2 Å²	121.2	77%	0.766	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-74	151.7	-177.2	29.4	-32.3	0	0	0	112.7
289	P	34.3	Very low	32.2	Very low	118 Å²	118	125.2 Å²	125.2	77%	0.766	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-74.3	155.1	-171.1	30.2	-35	0	0	0	113.6
290	P	33.8	Very low	32.4	Very low	120 Å²	120	127.2 Å²	127.2	78%	0.779	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-74.7	153	-172.5	30.3	-34.8	0	0	0	113.5
291	P	35.9	Very low	32.7	Very low	120 Å²	120	122.5 Å²	122.5	78%	0.779	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-70.3	147.2	-174.6	27.7	-34.3	0	0	0	113.3
292	P	35.3	Very low	33.1	Very low	120 Å²	120	124.9 Å²	124.9	78%	0.779	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-71.4	149.6	-176	27.8	-33.7	0	0	0	113.3
293	P	34.9	Very low	32.7	Very low	119 Å²	119	126.5 Å²	126.5	77%	0.773	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-72.6	151	-173.4	28	-34	0	0	0	113.7
294	P	39.1	Very low	33.2	Very low	120 Å²	120	129.3 Å²	129.3	78%	0.779	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-71.4	144.2	-174.5	27.9	-34.1	0	0	0	113.2
295	P	35.5	Very low	33.3	Very low	118 Å²	118	129.7 Å²	129.7	77%	0.766	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-75.2	153.6	-177.6	29.6	-33.3	0	0	0	113
296	P	36.6	Very low	34.1	Very low	120 Å²	120	128.6 Å²	128.6	78%	0.779	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-73.9	148.5	-171.6	-10.9	27.3	0	0	0	113
297	P	42.6	Very low	34.2	Very low	113 Å²	113	134.6 Å²	134.6	73%	0.734	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-85.2	123.7	178.8	32.3	-27	0	0	0	109.9
298	D	33.8	Very low	34.5	Very low	168 Å²	168	135.2 Å²	135.2	90%	0.898	81%	0.808	S	S	*	*			trans	-176.4	151.1	141.5	-91.4	-27.1	0	0	0	110.6
299	F	32.2	Very low	35.2	Very low	196 Å²	196	136.3 Å²	136.3	86%	0.86	80%	0.803	S	S	*	*			trans	99.3	64.4	171.4	-144.7	-92.6	0	0	0	116.5
300	M	34.2	Very low	36	Very low	190 Å²	190	135.5 Å²	135.5	94%	0.936	80%	0.796	S	S	*	*			trans	-160.8	75	132	-76.1	-140.3	176.3	0	0	109
301	A	30.7	Very low	37.1	Very low	96 Å²	96	136.2 Å²	136.2	79%	0.793	79%	0.793	S	S	*	*			trans	-104.2	110.3	162.5	0	0	0	0	0	107.6
302	S	33	Very low	38.5	Very low	125 Å²	125	136.1 Å²	136.1	87%	0.874	79%	0.785	S	S	*	*			trans	-163	122.7	155.2	-75.5	0	0	0	0	109.1
303	D	28.8	Very low	40.1	Very low	151 Å²	151	139.6 Å²	139.6	81%	0.807	78%	0.783	S	S	*	*			trans	-41.4	127	-174.8	-74.8	-56	0	0	0	117.1
304	L	34.2	Very low	42.3	Very low	173 Å²	173	138.6 Å²	138.6	91%	0.906	77%	0.771	S	S	*	*			trans	-137.1	121	138.1	-73.4	176.8	0	0	0	108.9
305	T	32.8	Very low	44.2	Very low	130 Å²	130	135.8 Å²	135.8	80%	0.798	76%	0.758	S	S	*	*			trans	-57.6	151.2	-168	50.6	0	0	0	0	115.5
306	P	41.9	Very low	46.3	Very low	120 Å²	120	138.5 Å²	138.5	78%	0.779	75%	0.753	S	S	*	*			trans	-100.7	125	-160.9	36.2	-27.7	0	0	0	113
307	K	31.3	Very low	48.6	Very low	195 Å²	195	139 Å²	139	85%	0.848	74%	0.744	S	S	*	*			trans	-139.6	122.5	155	-70.9	-171.8	179.2	172.1	0	110.1
308	S	34.9	Very low	50.6	Low	110 Å²	110	136.3 Å²	136.3	77%	0.769	73%	0.732	S	S	*	*	S	Bend	trans	61.7	65.1	165.2	73.8	0	0	0	0	119.4
309	H	44.3	Very low	52.8	Low	141 Å²	141	133.2 Å²	133.2	65%	0.653	72%	0.715	S	S	*	*			trans	-130.7	7	163.4	-82.3	-75.2	0	0	0	115.3
310	T	50.5	Low	55.1	Low	101 Å²	101	128.7 Å²	128.7	62%	0.62	70%	0.695	S	S	*	*	H	α-helix	trans	-63.9	-43.3	176.5	39.9	0	0	0	0	112.2	L312 R313 D314	T310-L312 VanDerWaalsContact C-N 3.3Å; T310-L312 PolarHBondContact O-N 3.43Å; T310-R313 PolarHBondContact O-N 3.28Å; T310-D314 PolarHBondContact O-N 2.69Å
311	N	56.8	Low	57.3	Low	135 Å²	135	122.5 Å²	122.5	72%	0.722	67%	0.674	S	S	*	*	H	α-helix	trans	-62.8	-29.9	-177.1	-71.4	-17.3	0	0	0	114.6	A315	N311-A315 VanDerWaalsContact O-CB 3.29Å; N311-A315 WeakPolarHBondContact O-CB 3.49Å; N311-A315 PolarHBondContact O-N 2.91Å; N311-A315 VanDerWaalsContact O-N 3.15Å
312	L	65.4	Low	59.6	Low	117 Å²	117	123 Å²	123	61%	0.613	66%	0.66	S	S	*	*	H	α-helix	trans	-77.9	-34.4	-178.4	-82	164.5	0	0	0	112.6	T310 R316	T310-L312 VanDerWaalsContact C-N 3.3Å; T310-L312 PolarHBondContact O-N 3.43Å; L312-R316 WeakPolarHBondContact O-CB 3.46Å; L312-R316 PolarHBondContact O-N 3.13Å; L312-R316 VanDerWaalsContact O-N 3.08Å
313	R	69.7	Low	61.8	Low	194 Å²	194	122.3 Å²	122.3	73%	0.732	65%	0.645	S	S	*	*	H	α-helix	trans	-69.5	-43.3	177.2	-110.9	-179.2	173.6	172.1	-1.7	110.8	T310 R316 Q317	T310-R313 PolarHBondContact O-N 3.28Å; R313-R316 PolarHBondContact O-N 2.84Å; R313-Q317 WeakPolarHBondContact O-CG 3.37Å; R313-Q317 PolarHBondContact O-N 3.13Å
314	D	80	Confident	64	Low	97 Å²	97	121.4 Å²	121.4	52%	0.519	64%	0.64	S	S	.	*	H	α-helix	trans	-66.1	-43	179.1	-63.5	-20.1	0	0	0	111.2	T310 R316 Q317 A318	T310-D314 PolarHBondContact O-N 2.69Å; D314-R316 VanDerWaalsContact C-N 3.31Å; D314-R316 PolarHBondContact O-N 3.45Å; D314-Q317 PolarHBondContact O-N 3.35Å; D314-A318 WeakPolarHBondContact O-CB 3.32Å; D314-A318 PolarHBondContact O-N 2.79Å
315	A	79.9	Confident	65.8	Low	61 Å²	61	118.2 Å²	118.2	50%	0.504	62%	0.619	S	S	.	*	H	α-helix	trans	-61.1	-39.4	174.4	0	0	0	0	0	112.3	N311 L319	N311-A315 VanDerWaalsContact O-CB 3.29Å; N311-A315 WeakPolarHBondContact O-CB 3.49Å; N311-A315 PolarHBondContact O-N 2.91Å; N311-A315 VanDerWaalsContact O-N 3.15Å; A315-L319 WeakPolarHBondContact O-CB 3.34Å; A315-L319 PolarHBondContact O-N 2.93Å
316	R	78.4	Confident	67.8	Low	175 Å²	175	114.5 Å²	114.5	66%	0.66	61%	0.607	S	S	*	*	H	α-helix	trans	-69.7	-40.1	178	-164.2	175.5	-166	-178.6	2.8	111.8	L312 R313 D314 L319 F320	L312-R316 WeakPolarHBondContact O-CB 3.46Å; L312-R316 PolarHBondContact O-N 3.13Å; L312-R316 VanDerWaalsContact O-N 3.08Å; R313-R316 PolarHBondContact O-N 2.84Å; D314-R316 VanDerWaalsContact C-N 3.31Å; D314-R316 PolarHBondContact O-N 3.45Å; R316-L319 PolarHBondContact O-N 3.31Å; R316-F320 HydrophobicContact CG-CD2 4.05Å; R316-F320 HydrophobicContact CG-CE2 3.75Å; R316-F320 WeakPolarHBondContact O-CD2 3.17Å; R316-F320 PolarHBondContact O-N 3.44Å; R316-F320 VanDerWaalsContact O-N 3.14Å
317	Q	84.4	Confident	69.2	Low	130 Å²	130	116.4 Å²	116.4	61%	0.607	61%	0.609	S	S	*	*	H	α-helix	trans	-67	-40.1	175.5	-75.7	-178.4	-4.8	0	0	112	R313 D314 L319 F320 A321	R313-Q317 WeakPolarHBondContact O-CG 3.37Å; R313-Q317 PolarHBondContact O-N 3.13Å; D314-Q317 PolarHBondContact O-N 3.35Å; Q317-L319 VanDerWaalsContact C-N 3.33Å; Q317-L319 PolarHBondContact O-N 3Å; Q317-F320 PolarHBondContact O-N 3.43Å; Q317-A321 WeakPolarHBondContact O-CB 3.34Å; Q317-A321 PolarHBondContact O-N 3.19Å
318	A	84.6	Confident	71.2	Confident	58 Å²	58	111.4 Å²	111.4	48%	0.479	59%	0.592	S	S	.	*	H	α-helix	trans	-61	-41.9	174.3	0	0	0	0	0	111.8	D314 F320 A321 E322	D314-A318 WeakPolarHBondContact O-CB 3.32Å; D314-A318 PolarHBondContact O-N 2.79Å; A318-F320 PolarHBondContact O-N 3.34Å; A318-A321 PolarHBondContact O-N 2.86Å; A318-E322 PolarHBondContact O-N 3.28Å
319	L	81.8	Confident	73	Confident	102 Å²	102	111.8 Å²	111.8	53%	0.534	58%	0.584	S	S	.	*	H	α-helix	trans	-61.2	-44	175.8	-178.2	64.9	0	0	0	112.2	A315 R316 Q317 A321 E322 I323	A315-L319 WeakPolarHBondContact O-CB 3.34Å; A315-L319 PolarHBondContact O-N 2.93Å; R316-L319 PolarHBondContact O-N 3.31Å; Q317-L319 VanDerWaalsContact C-N 3.33Å; Q317-L319 PolarHBondContact O-N 3Å; L319-A321 VanDerWaalsContact C-N 3.34Å; L319-E322 WeakPolarHBondContact O-CB 3.43Å; L319-E322 PolarHBondContact O-N 3.44Å; L319-I323 HydrophobicContact CD1-CD1 4.42Å; L319-I323 HydrophobicContact CG-CD1 4.19Å; L319-I323 WeakPolarHBondContact O-CG1 3.48Å; L319-I323 PolarHBondContact O-N 3.24Å; L319-I323 VanDerWaalsContact O-N 3.1Å
320	F	78.7	Confident	73.9	Confident	102 Å²	102	108.8 Å²	108.8	45%	0.447	58%	0.578	S	S	.	*	H	α-helix	trans	-70.3	-30.7	177.4	-77.5	-65.5	0	0	0	112.9	R316 Q317 A318 N324	R316-F320 HydrophobicContact CG-CD2 4.05Å; R316-F320 HydrophobicContact CG-CE2 3.75Å; R316-F320 WeakPolarHBondContact O-CD2 3.17Å; R316-F320 PolarHBondContact O-N 3.44Å; R316-F320 VanDerWaalsContact O-N 3.14Å; Q317-F320 PolarHBondContact O-N 3.43Å; A318-F320 PolarHBondContact O-N 3.34Å; F320-N324 WeakPolarHBondContact O-CB 3.25Å; F320-N324 PolarHBondContact O-N 2.91Å; F320-N324 VanDerWaalsContact O-N 3.11Å; F320-N324 PolarHBondContact O-ND2 2.95Å
321	A	80.9	Confident	74.9	Confident	59 Å²	59	111.5 Å²	111.5	49%	0.488	58%	0.581	S	S	.	*	H	α-helix	trans	-66.1	-38.2	171.5	0	0	0	0	0	111.9	Q317 A318 L319 K325	Q317-A321 WeakPolarHBondContact O-CB 3.34Å; Q317-A321 PolarHBondContact O-N 3.19Å; A318-A321 PolarHBondContact O-N 2.86Å; L319-A321 VanDerWaalsContact C-N 3.34Å; A321-K325 WeakPolarHBondContact O-CG 3.4Å
322	E	79.5	Confident	75.4	Confident	108 Å²	108	108.4 Å²	108.4	51%	0.505	58%	0.581	S	S	.	*	H	α-helix	trans	-64.4	-45.2	175.6	-158.7	91	-115.7	0	0	111.9	A318 L319 N324 K325	A318-E322 PolarHBondContact O-N 3.28Å; L319-E322 WeakPolarHBondContact O-CB 3.43Å; L319-E322 PolarHBondContact O-N 3.44Å; E322-N324 VanDerWaalsContact C-N 3.33Å; E322-N324 PolarHBondContact O-N 3.06Å; E322-K325 PolarHBondContact O-N 2.91Å; E322-K325 IonicContact OE1-NZ 3.26Å; E322-K325 PolarHBondContact OE1-NZ 3.3Å
323	I	78.1	Confident	75.5	Confident	110 Å²	110	109.1 Å²	109.1	56%	0.564	59%	0.585	S	S	*	*	H	α-helix	trans	-65.1	-37.2	-180	-68.8	169.1	0	0	0	111.3	L319 K325	L319-I323 HydrophobicContact CD1-CD1 4.42Å; L319-I323 HydrophobicContact CG-CD1 4.19Å; L319-I323 WeakPolarHBondContact O-CG1 3.48Å; L319-I323 PolarHBondContact O-N 3.24Å; L319-I323 VanDerWaalsContact O-N 3.1Å; I323-K325 PolarHBondContact O-N 3.33Å
324	N	76.7	Confident	75.6	Confident	131 Å²	131	109.5 Å²	109.5	70%	0.701	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-0.6	-178.4	-76.6	-22	0	0	0	114.5	F320 E322 G326	F320-N324 WeakPolarHBondContact O-CB 3.25Å; F320-N324 PolarHBondContact O-N 2.91Å; F320-N324 VanDerWaalsContact O-N 3.11Å; F320-N324 PolarHBondContact O-ND2 2.95Å; E322-N324 VanDerWaalsContact C-N 3.33Å; E322-N324 PolarHBondContact O-N 3.06Å; N324-G326 PolarHBondContact O-N 3.38Å; N324-G326 VanDerWaalsContact O-N 3.16Å
325	K	72.1	Confident	75.3	Confident	106 Å²	106	114.1 Å²	114.1	46%	0.461	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.5	-10	177.4	-72.1	174.7	-171.9	169.3	0	113.7	A321 E322 I323 L327 D328	A321-K325 WeakPolarHBondContact O-CG 3.4Å; E322-K325 PolarHBondContact O-N 2.91Å; E322-K325 IonicContact OE1-NZ 3.26Å; E322-K325 PolarHBondContact OE1-NZ 3.3Å; I323-K325 PolarHBondContact O-N 3.33Å; K325-L327 PolarHBondContact O-N 3.22Å; K325-D328 WeakPolarHBondContact O-CB 3.5Å; K325-D328 PolarHBondContact O-N 3.31Å
326	G	73.8	Confident	75.1	Confident	52 Å²	52	115.3 Å²	115.3	54%	0.536	61%	0.608	S	S	.	*	G	3₁₀ helix	trans	51.7	-127.3	171.3	0	0	0	0	0	113.2	N324 D328 I329	N324-G326 PolarHBondContact O-N 3.38Å; N324-G326 VanDerWaalsContact O-N 3.16Å; G326-D328 PolarHBondContact O-N 2.99Å; G326-I329 WeakPolarHBondContact O-CG2 3.42Å; G326-I329 PolarHBondContact O-N 3.5Å
327	L	70.8	Confident	74.7	Confident	160 Å²	160	109.6 Å²	109.6	84%	0.838	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-69.1	-15.6	-179.6	-64.4	176.8	0	0	0	114.2	K325 I329 C330	K325-L327 PolarHBondContact O-N 3.22Å; L327-I329 PolarHBondContact O-N 2.9Å; L327-C330 PolarHBondContact O-N 3.35Å
328	D	74	Confident	74.1	Confident	90 Å²	90	107.1 Å²	107.1	48%	0.481	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-71.1	-11.7	178.5	-90.9	-2.8	0	0	0	113	K325 G326 C330 K331	K325-D328 WeakPolarHBondContact O-CB 3.5Å; K325-D328 PolarHBondContact O-N 3.31Å; G326-D328 PolarHBondContact O-N 2.99Å; D328-C330 PolarHBondContact O-N 3.14Å; D328-C330 VanDerWaalsContact O-N 3.1Å; D328-K331 HydrophobicContact CB-CD 4.31Å; D328-K331 WeakPolarHBondContact O-CB 3.43Å; D328-K331 PolarHBondContact O-N 2.77Å; D328-K331 WeakPolarHBondContact OD1-CE 3.47Å; D328-K331 IonicContact OD1-NZ 2.68Å; D328-K331 PolarHBondContact OD1-NZ 3.42Å; D328-K331 IonicContact OD2-NZ 3.13Å; D328-K331 PolarHBondContact OD2-NZ 3.32Å
329	I	72.1	Confident	73.6	Confident	119 Å²	119	110.4 Å²	110.4	61%	0.61	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-58.9	-23.4	173.1	-158.2	145.4	0	0	0	112.4	G326 L327 K331	G326-I329 WeakPolarHBondContact O-CG2 3.42Å; G326-I329 PolarHBondContact O-N 3.5Å; L327-I329 PolarHBondContact O-N 2.9Å; I329-K331 PolarHBondContact O-N 2.94Å
330	C	63.1	Low	73.2	Confident	77 Å²	77	111.7 Å²	111.7	52%	0.52	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-69.5	-17	176.1	-65.7	0	0	0	0	113.7	L327 D328 G332 L333	L327-C330 PolarHBondContact O-N 3.35Å; D328-C330 PolarHBondContact O-N 3.14Å; D328-C330 VanDerWaalsContact O-N 3.1Å; C330-G332 PolarHBondContact O-N 3.29Å; C330-L333 PolarHBondContact O-N 3.15Å
331	K	72.3	Confident	73	Confident	158 Å²	158	109.8 Å²	109.8	69%	0.687	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-68.7	-21.1	-179.4	-69.4	174.8	176.4	164	0	113.2	D328 I329	D328-K331 HydrophobicContact CB-CD 4.31Å; D328-K331 WeakPolarHBondContact O-CB 3.43Å; D328-K331 PolarHBondContact O-N 2.77Å; D328-K331 WeakPolarHBondContact OD1-CE 3.47Å; D328-K331 IonicContact OD1-NZ 2.68Å; D328-K331 PolarHBondContact OD1-NZ 3.42Å; D328-K331 IonicContact OD2-NZ 3.13Å; D328-K331 PolarHBondContact OD2-NZ 3.32Å; I329-K331 PolarHBondContact O-N 2.94Å
332	G	68.2	Low	72.7	Confident	70 Å²	70	110.9 Å²	110.9	72%	0.722	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-85.6	-9.8	178.5	0	0	0	0	0	115	C330 K334	C330-G332 PolarHBondContact O-N 3.29Å; G332-K334 PolarHBondContact O-N 3.05Å
333	L	66.1	Low	72.5	Confident	132 Å²	132	111.5 Å²	111.5	69%	0.691	60%	0.595	S	S	*	*	S	Bend	trans	-78.9	123.4	-178.9	-70.4	165.6	0	0	0	109.9	C330 K335	C330-L333 PolarHBondContact O-N 3.15Å; L333-K335 PolarHBondContact O-N 3.08Å
334	K	72.1	Confident	72.2	Confident	202 Å²	202	112.3 Å²	112.3	88%	0.878	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-56.9	125.6	173.5	-73.3	-176.9	179.4	178.8	0	109.4	G332 V336	G332-K334 PolarHBondContact O-N 3.05Å; K334-V336 PolarHBondContact O-N 2.89Å
335	K	74.3	Confident	71.5	Confident	194 Å²	194	108.5 Å²	108.5	84%	0.843	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-65.8	118.6	178.7	-166.5	168.2	-175.6	175.4	0	109.4	L333 T337	L333-K335 PolarHBondContact O-N 3.08Å; K335-T337 PolarHBondContact O-N 3.31Å
336	V	75.2	Confident	71.3	Confident	86 Å²	86	107.5 Å²	107.5	52%	0.521	58%	0.578	S	S	.	*			trans	-69.1	111	176.8	-178.2	0	0	0	0	108.5	K334 M340 Q341	K334-V336 PolarHBondContact O-N 2.89Å; V336-M340 HydrophobicContact CG1-CB 3.89Å; V336-Q341 HydrophobicContact CG1-CG 4.05Å
337	T	70.9	Confident	71	Confident	56 Å²	56	108.2 Å²	108.2	34%	0.344	58%	0.578	S	S	.	*			trans	-75.1	154.7	176	62.2	0	0	0	0	110.4	K335 E339 M340	K335-T337 PolarHBondContact O-N 3.31Å; T337-E339 VanDerWaalsContact CB-OE1 3.26Å; T337-E339 WeakPolarHBondContact CB-OE1 3.41Å; T337-E339 PolarHBondContact O-N 2.88Å; T337-E339 PolarHBondContact OG1-OE1 3.2Å; T337-M340 PolarHBondContact O-N 3.08Å
338	P	71.7	Confident	70.5	Confident	77 Å²	77	104.9 Å²	104.9	50%	0.5	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-53.3	-26.7	-178.5	-28.3	36.3	0	0	0	114.3	M340 Q341 K344	P338-M340 VanDerWaalsContact C-N 3.28Å; P338-M340 PolarHBondContact O-N 2.85Å; P338-Q341 WeakPolarHBondContact O-CB 3.3Å; P338-Q341 PolarHBondContact O-N 3.45Å; P338-K344 HydrophobicContact CB-CD 4.1Å
339	E	73.6	Confident	69.9	Low	127 Å²	127	108.2 Å²	108.2	59%	0.593	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-63.2	-31.2	179	-47.6	157.6	-102.6	0	0	113.1	T337 Q341 N345	T337-E339 VanDerWaalsContact CB-OE1 3.26Å; T337-E339 WeakPolarHBondContact CB-OE1 3.41Å; T337-E339 PolarHBondContact O-N 2.88Å; T337-E339 PolarHBondContact OG1-OE1 3.2Å; E339-Q341 VanDerWaalsContact C-N 3.34Å; E339-N345 WeakPolarHBondContact O-CB 3.38Å; E339-N345 PolarHBondContact O-ND2 3.43Å
340	M	73.2	Confident	69.1	Low	130 Å²	130	107.8 Å²	107.8	64%	0.64	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-86.2	-9	179.8	-62	-174.9	76.6	0	0	112.4	V336 T337 P338 T342	V336-M340 HydrophobicContact CG1-CB 3.89Å; T337-M340 PolarHBondContact O-N 3.08Å; P338-M340 VanDerWaalsContact C-N 3.28Å; P338-M340 PolarHBondContact O-N 2.85Å; M340-T342 PolarHBondContact O-N 3.3Å
341	Q	74.9	Confident	68.4	Low	61 Å²	61	108.5 Å²	108.5	29%	0.285	58%	0.582	S	S	.	*			trans	-84.9	110.8	-179.9	-60.9	-177.7	-15.8	0	0	108.8	V336 P338 E339 H343 K344 N345	V336-Q341 HydrophobicContact CG1-CG 4.05Å; P338-Q341 WeakPolarHBondContact O-CB 3.3Å; P338-Q341 PolarHBondContact O-N 3.45Å; E339-Q341 VanDerWaalsContact C-N 3.34Å; Q341-H343 PolarHBondContact O-N 2.97Å; Q341-H343 PolarHBondContact OE1-CE1 2.94Å; Q341-K344 HydrophobicContact CB-CG 4.48Å; Q341-K344 PolarHBondContact O-N 2.86Å; Q341-N345 PolarHBondContact O-N 2.96Å; Q341-N345 VanDerWaalsContact O-N 3.14Å
342	T	73.7	Confident	66.9	Low	83 Å²	83	109.8 Å²	109.8	51%	0.509	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-55.6	-18.9	-176.7	51.9	0	0	0	0	114.8	M340 L348 R349	M340-T342 PolarHBondContact O-N 3.3Å; T342-L348 HydrophobicContact CG2-CB 4.49Å; T342-L348 HydrophobicContact CG2-CD1 4.32Å; T342-R349 PolarHBondContact O-NH1 3.17Å; T342-R349 PolarHBondContact O-NH2 3.29Å
343	H	76.5	Confident	65.2	Low	121 Å²	121	117.6 Å²	117.6	56%	0.56	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-19.5	174.5	74.6	-83.7	0	0	0	114.3	Q341	Q341-H343 PolarHBondContact O-N 2.97Å; Q341-H343 PolarHBondContact OE1-CE1 2.94Å
344	K	70.4	Confident	63.5	Low	126 Å²	126	117.8 Å²	117.8	55%	0.548	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.8	-15.3	178.2	-60.6	-167.9	179.2	-176	0	113.6	P338 Q341	P338-K344 HydrophobicContact CB-CD 4.1Å; Q341-K344 HydrophobicContact CB-CG 4.48Å; Q341-K344 PolarHBondContact O-N 2.86Å
345	N	62.3	Low	61.8	Low	52 Å²	52	113.9 Å²	113.9	28%	0.278	60%	0.6	S	S	.	*			trans	-123	87	176.4	-167.2	-7.9	0	0	0	111	E339 Q341 A347 L348	E339-N345 WeakPolarHBondContact O-CB 3.38Å; E339-N345 PolarHBondContact O-ND2 3.43Å; Q341-N345 PolarHBondContact O-N 2.96Å; Q341-N345 VanDerWaalsContact O-N 3.14Å; N345-A347 PolarHBondContact O-N 3.1Å; N345-A347 VanDerWaalsContact O-N 3.11Å; N345-A347 WeakPolarHBondContact OD1-CB 3.36Å; N345-A347 PolarHBondContact OD1-N 3.06Å; N345-L348 HydrophobicContact CB-CD1 4.15Å; N345-L348 HydrophobicContact CB-CG 4.37Å; N345-L348 PolarHBondContact O-N 3.17Å; N345-L348 VanDerWaalsContact O-N 3.16Å
346	P	69.2	Low	59.8	Low	85 Å²	85	109.3 Å²	109.3	55%	0.552	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-57.4	-24.3	-178.2	-24.7	34.1	0	0	0	114.3	L348 R349	P346-L348 PolarHBondContact O-N 3Å; P346-R349 WeakPolarHBondContact O-CB 3.45Å; P346-R349 PolarHBondContact O-N 3.09Å
347	A	67.2	Low	57.6	Low	66 Å²	66	112.4 Å²	112.4	55%	0.545	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-62.2	-26	179	0	0	0	0	0	113	N345 R349 T350	N345-A347 PolarHBondContact O-N 3.1Å; N345-A347 VanDerWaalsContact O-N 3.11Å; N345-A347 WeakPolarHBondContact OD1-CB 3.36Å; N345-A347 PolarHBondContact OD1-N 3.06Å; A347-R349 PolarHBondContact O-N 3.4Å; A347-T350 PolarHBondContact O-N 3.36Å
348	L	60	Low	55.8	Low	91 Å²	91	113.1 Å²	113.1	48%	0.476	64%	0.636	S	S	.	*	G	3₁₀ helix	trans	-67.5	-14.8	175.4	-68.3	174.1	0	0	0	113.3	T342 N345 P346	T342-L348 HydrophobicContact CG2-CB 4.49Å; T342-L348 HydrophobicContact CG2-CD1 4.32Å; N345-L348 HydrophobicContact CB-CD1 4.15Å; N345-L348 HydrophobicContact CB-CG 4.37Å; N345-L348 PolarHBondContact O-N 3.17Å; N345-L348 VanDerWaalsContact O-N 3.16Å; P346-L348 PolarHBondContact O-N 3Å
349	R	61.9	Low	53.7	Low	159 Å²	159	119.6 Å²	119.6	60%	0.6	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-89	-17.6	176.9	-64.3	-174.4	172.6	119	-3.7	113.4	T342 P346 A347	T342-R349 PolarHBondContact O-NH1 3.17Å; T342-R349 PolarHBondContact O-NH2 3.29Å; P346-R349 WeakPolarHBondContact O-CB 3.45Å; P346-R349 PolarHBondContact O-N 3.09Å; A347-R349 PolarHBondContact O-N 3.4Å
350	T	53.9	Low	51.7	Low	111 Å²	111	119.5 Å²	119.5	68%	0.681	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-87.1	-13.3	-170.9	-44.9	0	0	0	0	113.1	A347 E352	A347-T350 PolarHBondContact O-N 3.36Å; T350-E352 PolarHBondContact O-N 3.23Å; T350-E352 VanDerWaalsContact O-N 3.14Å
351	A	48.7	Very low	49.6	Very low	92 Å²	92	122.9 Å²	122.9	76%	0.76	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-74.9	2.7	-175.3	0	0	0	0	0	115.4
352	E	40.7	Very low	47.4	Very low	184 Å²	184	126.7 Å²	126.7	86%	0.86	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-118	30.9	-175.7	-151.1	154	-155.7	0	0	114.2	T350	T350-E352 PolarHBondContact O-N 3.23Å; T350-E352 VanDerWaalsContact O-N 3.14Å
353	R	32.8	Very low	45.6	Very low	234 Å²	234	127.7 Å²	127.7	88%	0.883	72%	0.721	S	S	*	*			trans	-136.5	83.8	164.5	-75.7	-170.7	-176.8	-143.2	0.2	111.6
354	T	31	Very low	43.3	Very low	137 Å²	137	127 Å²	127	84%	0.84	73%	0.73	S	S	*	*			trans	-103.4	117.2	163.1	33.2	0	0	0	0	110.3
355	P	36.8	Very low	41.3	Very low	120 Å²	120	130.5 Å²	130.5	78%	0.779	75%	0.746	S	S	*	*			trans	-72.5	145.4	174.2	-12.2	27.2	0	0	0	112.5	T357	P355-T357 PolarHBondContact O-N 3.31Å
356	A	30.8	Very low	40.4	Very low	98 Å²	98	133.6 Å²	133.6	81%	0.81	77%	0.769	S	S	*	*			trans	-75.3	111.4	177.5	0	0	0	0	0	112.1
357	T	29.8	Very low	38.5	Very low	150 Å²	150	134.3 Å²	134.3	92%	0.92	78%	0.782	S	S	*	*			trans	-173.7	131.3	145.9	2.5	0	0	0	0	110.9	P355	P355-T357 PolarHBondContact O-N 3.31Å
358	G	32.2	Very low	36.7	Very low	71 Å²	71	138.9 Å²	138.9	73%	0.732	79%	0.791	S	S	*	*			trans	140	82.6	167.3	0	0	0	0	0	113.7	P360	G358-P360 WeakPolarHBondContact O-CD 3.34Å
359	K	28.6	Very low	35.2	Very low	213 Å²	213	141.2 Å²	141.2	93%	0.926	80%	0.804	S	S	*	*			trans	-68.8	132.6	165.2	-70.3	173.7	176	175.9	0	109.6
360	P	32	Very low	33.7	Very low	125 Å²	125	139.8 Å²	139.8	81%	0.812	81%	0.813	S	S	*	*			trans	-112.1	142.4	153.7	16	4.7	0	0	0	111.3	G358	G358-P360 WeakPolarHBondContact O-CD 3.34Å
361	K	28.6	Very low	32.9	Very low	202 Å²	202	140.1 Å²	140.1	88%	0.878	82%	0.82	S	S	*	*			trans	-64.5	140.5	-175.4	-81.8	168.9	166.3	174.8	0	114
362	V	28.6	Very low	32	Very low	140 Å²	140	145.4 Å²	145.4	85%	0.848	83%	0.825	S	S	*	*			trans	18.4	114.5	134	-167.8	0	0	0	0	117.3
363	A	35.3	Very low	31.5	Very low	104 Å²	104	148.4 Å²	148.4	86%	0.86	83%	0.829	S	S	*	*			trans	-147	137.7	143.2	0	0	0	0	0	109.3
364	S	28.3	Very low	31.5	Very low	106 Å²	106	141.7 Å²	141.7	74%	0.741	82%	0.823	S	S	*	*			trans	-91.1	149	-164.5	46.1	0	0	0	0	114.9
365	K	28	Very low	31.6	Very low	201 Å²	201	139.8 Å²	139.8	87%	0.874	82%	0.815	S	S	*	*			trans	71.6	158.1	156.5	-84.7	179.6	174.2	177.7	0	118.8
366	P	45.1	Very low	31.6	Very low	117 Å²	117	140 Å²	140	76%	0.76	82%	0.817	S	S	*	*			cis	-128.5	169.5	-22.3	33.5	-14.6	0	0	0	113.7
367	A	28.8	Very low	31.9	Very low	100 Å²	100	144.8 Å²	144.8	83%	0.826	82%	0.819	S	S	*	*			trans	-61.6	131.3	175.6	0	0	0	0	0	113.3
368	H	29.6	Very low	32.5	Very low	161 Å²	161	142.1 Å²	142.1	75%	0.745	81%	0.805	S	S	*	*				175.4	129.8	126.5	-149	-113.9	0	0	0	109.3
369	L	28	Very low	33.1	Very low	141 Å²	141	147.2 Å²	147.2	74%	0.738	82%	0.815	S	S	*	*			trans	67.8	129.7	168	-46.5	131.4	0	0	0	114.8
370	T	31.3	Very low	34.4	Very low	129 Å²	129	140.7 Å²	140.7	79%	0.791	79%	0.79	S	S	*	*			cis	-160.4	130.9	42	37	0	0	0	0	109.9
371	S	35.5	Very low	36	Very low	118 Å²	118	141.4 Å²	141.4	83%	0.825	78%	0.78	S	S	*	*			trans	19.6	112.1	149.4	-164.9	0	0	0	0	118.9	R373	S371-R373 PolarHBondContact O-N 3.48Å
372	K	30	Very low	38.5	Very low	203 Å²	203	137 Å²	137	88%	0.883	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-51.4	132.7	161.2	-79.1	175.3	175.1	175.8	0	110.9	A374	K372-A374 PolarHBondContact O-N 3.05Å
373	R	30.5	Very low	41.3	Very low	247 Å²	247	133.3 Å²	133.3	93%	0.932	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-63.9	118.9	-178.7	-163.2	175.5	-159.5	-179.4	4.3	110.6	S371	S371-R373 PolarHBondContact O-N 3.48Å
374	A	32.1	Very low	43.8	Very low	92 Å²	92	129.9 Å²	129.9	76%	0.76	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-75.3	127.8	177.1	0	0	0	0	0	111.4	K372	K372-A374 PolarHBondContact O-N 3.05Å
375	S	33	Very low	46.9	Very low	97 Å²	97	128.5 Å²	128.5	68%	0.678	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-72.1	155.9	165.4	30.5	0	0	0	0	111.2	K377	S375-K377 PolarHBondContact O-N 2.75Å
376	P	38.4	Very low	49.9	Very low	126 Å²	126	123.4 Å²	123.4	82%	0.818	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-72.6	127	-157	28.4	-32.6	0	0	0	112.2	P378	P376-P378 VanDerWaalsContact O-CD 3.29Å; P376-P378 WeakPolarHBondContact O-CD 3.33Å
377	K	35.4	Very low	52.2	Low	197 Å²	197	120.5 Å²	120.5	86%	0.857	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-69.3	117.4	179.7	-70.5	179.1	177.6	179.8	0	110.6	S375	S375-K377 PolarHBondContact O-N 2.75Å
378	P	42.2	Very low	55	Low	95 Å²	95	119.9 Å²	119.9	62%	0.617	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-70.6	156.5	154.2	2	16.6	0	0	0	108.5	P376 L380	P376-P378 VanDerWaalsContact O-CD 3.29Å; P376-P378 WeakPolarHBondContact O-CD 3.33Å; P378-L380 VanDerWaalsContact C-N 3.26Å; P378-L380 HydrophobicContact CB-CD1 3.83Å; P378-L380 HydrophobicContact CG-CD1 3.74Å; P378-L380 VanDerWaalsContact O-CD1 3.25Å; P378-L380 WeakPolarHBondContact O-CD1 3.46Å; P378-L380 PolarHBondContact O-N 3.01Å
379	D	46.5	Very low	57.7	Low	177 Å²	177	116.2 Å²	116.2	95%	0.947	65%	0.652	S	S	*	*			trans	-61.3	79.1	178.2	-65.4	-46.3	0	0	0	111.9
380	L	55.2	Low	60.4	Low	76 Å²	76	111.6 Å²	111.6	40%	0.398	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-93.4	130.7	174	-82.9	88.7	0	0	0	109.3	P378 Y397 V399	P378-L380 VanDerWaalsContact C-N 3.26Å; P378-L380 HydrophobicContact CB-CD1 3.83Å; P378-L380 HydrophobicContact CG-CD1 3.74Å; P378-L380 VanDerWaalsContact O-CD1 3.25Å; P378-L380 WeakPolarHBondContact O-CD1 3.46Å; P378-L380 PolarHBondContact O-N 3.01Å; L380-Y397 HydrophobicContact CB-CD1 4.42Å; L380-Y397 HydrophobicContact CD2-CD1 4.05Å; L380-Y397 HydrophobicContact CG-CD1 4.3Å; L380-V399 HydrophobicContact CD2-CG2 3.98Å
381	K	66.4	Low	63.3	Low	141 Å²	141	111.8 Å²	111.8	61%	0.613	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-50	154.1	165	-67.5	-173.8	-171.2	176.4	0	110	A383 Y397	K381-A383 PolarHBondContact O-N 2.82Å; K381-Y397 HydrophobicContact CB-CD1 4.42Å; K381-Y397 HydrophobicContact CB-CD2 3.77Å; K381-Y397 HydrophobicContact CB-CE1 4.27Å; K381-Y397 HydrophobicContact CB-CE2 3.65Å; K381-Y397 HydrophobicContact CB-CG 4.19Å; K381-Y397 HydrophobicContact CD-CE2 3.91Å; K381-Y397 HydrophobicContact CG-CE2 4.27Å; K381-Y397 WeakPolarHBondContact O-CB 3.44Å
382	P	81.3	Confident	66.1	Low	108 Å²	108	110 Å²	110	70%	0.701	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-55.4	140.9	-179.2	23	-33.4	0	0	0	110.7	T384	P382-T384 PolarHBondContact O-N 3.48Å; P382-T384 PolarHBondContact O-OG1 3.19Å
383	A	85.7	Confident	69.3	Low	64 Å²	64	102.2 Å²	102.2	53%	0.529	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-61.7	124.4	177.1	0	0	0	0	0	109.4	K381 E396	K381-A383 PolarHBondContact O-N 2.82Å; A383-E396 WeakPolarHBondContact CA-O 2.98Å
384	T	88.8	Confident	72.4	Confident	31 Å²	31	91 Å²	91	19%	0.19	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.7	-177	-57.3	0	0	0	0	108.8	P382 E386 M394 V395 E396 Q398	P382-T384 PolarHBondContact O-N 3.48Å; P382-T384 PolarHBondContact O-OG1 3.19Å; T384-E386 HydrophobicContact CG2-CG 3.73Å; T384-M394 HydrophobicContact CG2-CB 4.41Å; T384-V395 WeakPolarHBondContact O-CA 3.46Å; T384-E396 PolarHBondContact N-O 3.39Å; T384-E396 PolarHBondContact O-N 2.69Å; T384-Q398 PolarHBondContact O-NE2 3.13Å; T384-Q398 VanDerWaalsContact O-NE2 3.13Å
385	L	92.5	Very high	75.4	Confident	77 Å²	77	86.7 Å²	86.7	40%	0.403	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	94.1	166.2	-176.3	128.5	0	0	0	107.3	M394 V395 P403 I405	L385-M394 WeakPolarHBondContact CA-O 3.49Å; L385-V395 HydrophobicContact CD1-CG1 4.48Å; L385-V395 HydrophobicContact CD1-CG2 4.3Å; L385-P403 HydrophobicContact CD1-CB 3.39Å; L385-P403 HydrophobicContact CD1-CG 4.32Å; L385-I405 HydrophobicContact CD1-CG1 4.47Å
386	E	91.9	Very high	78.3	Confident	95 Å²	95	83.9 Å²	83.9	44%	0.444	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	154.1	-177.8	69.8	-178.2	-175.9	0	0	111.6	T384 Q388 M394	T384-E386 HydrophobicContact CG2-CG 3.73Å; E386-Q388 HydrophobicContact CG-CG 4.01Å; E386-Q388 PolarHBondContact OE1-NE2 2.85Å; E386-M394 PolarHBondContact N-O 2.82Å; E386-M394 PolarHBondContact O-N 3.11Å
387	L	93.3	Very high	80.8	Confident	55 Å²	55	79 Å²	79	29%	0.288	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	104.3	172.6	178.9	57.1	0	0	0	109.3	W393	L387-W393 HydrophobicContact CB-CD2 3.95Å; L387-W393 HydrophobicContact CB-CE3 3.94Å; L387-W393 HydrophobicContact CB-CH2 3.91Å; L387-W393 HydrophobicContact CB-CZ2 3.91Å; L387-W393 HydrophobicContact CB-CZ3 3.93Å; L387-W393 HydrophobicContact CD1-CD2 3.99Å; L387-W393 HydrophobicContact CD1-CG 3.95Å; L387-W393 HydrophobicContact CD1-CZ2 4.5Å; L387-W393 HydrophobicContact CD2-CZ2 3.96Å; L387-W393 HydrophobicContact CG-CD2 4.46Å; L387-W393 HydrophobicContact CG-CZ2 4.34Å
388	Q	88.4	Confident	83.3	Confident	88 Å²	88	70.7 Å²	70.7	41%	0.411	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	125.4	177.7	-65.2	-173.5	-8.4	0	0	110.7	E386 G390 K391 K392 M394	E386-Q388 HydrophobicContact CG-CG 4.01Å; E386-Q388 PolarHBondContact OE1-NE2 2.85Å; Q388-G390 PolarHBondContact O-N 2.94Å; Q388-G390 VanDerWaalsContact O-N 3.11Å; Q388-K391 PolarHBondContact O-N 3.18Å; Q388-K392 PolarHBondContact N-O 3.14Å; Q388-K392 PolarHBondContact O-N 3.01Å; Q388-K392 VanDerWaalsContact O-N 3.1Å; Q388-M394 VanDerWaalsContact CD-CG 3.46Å; Q388-M394 HydrophobicContact CG-CG 3.89Å
389	G	85.6	Confident	85.6	Confident	84 Å²	84	69 Å²	69	87%	0.866	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	22.9	176.1	0	0	0	0	0	114.7	K391	G389-K391 PolarHBondContact O-N 3.38Å; G389-K391 VanDerWaalsContact O-N 3.1Å
390	G	84.9	Confident	87.7	Confident	44 Å²	44	65.8 Å²	65.8	45%	0.454	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	-0.5	-178	0	0	0	0	0	115.3	Q388 Q412	Q388-G390 PolarHBondContact O-N 2.94Å; Q388-G390 VanDerWaalsContact O-N 3.11Å; G390-Q412 PolarHBondContact O-NE2 2.97Å
391	K	91	Very high	89.3	Confident	132 Å²	132	64.5 Å²	64.5	57%	0.574	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	-36.1	-170.3	-171.4	177.3	179.6	-177.9	0	114	Q388 G389 Q412 V413	Q388-K391 PolarHBondContact O-N 3.18Å; G389-K391 PolarHBondContact O-N 3.38Å; G389-K391 VanDerWaalsContact O-N 3.1Å; K391-Q412 CarbonylContact O-C 3.48Å; K391-Q412 WeakPolarHBondContact O-CA 3.45Å; K391-V413 PolarHBondContact O-N 2.58Å
392	K	95	Very high	90.6	Very high	82 Å²	82	62.6 Å²	62.6	36%	0.357	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.9	-173	-177.7	174.1	-168.7	-162	0	111.1	Q388 M394 V413	Q388-K392 PolarHBondContact N-O 3.14Å; Q388-K392 PolarHBondContact O-N 3.01Å; Q388-K392 VanDerWaalsContact O-N 3.1Å; K392-M394 HydrophobicContact CD-SD 3.68Å; K392-M394 WeakPolarHBondContact CE-SD 3.29Å; K392-M394 HydrophobicContact CG-CG 4.44Å; K392-M394 HydrophobicContact CG-SD 3.82Å; K392-V413 WeakPolarHBondContact CA-O 3.5Å; K392-V413 HydrophobicContact CB-CG2 3.97Å; K392-V413 HydrophobicContact CG-CG2 3.91Å
393	W	97.4	Very high	91.1	Very high	38 Å²	38	58.2 Å²	58.2	14%	0.144	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	125.1	169.4	-75.2	100.3	0	0	0	110	L387 I405 V413 V414 Y415	L387-W393 HydrophobicContact CB-CD2 3.95Å; L387-W393 HydrophobicContact CB-CE3 3.94Å; L387-W393 HydrophobicContact CB-CH2 3.91Å; L387-W393 HydrophobicContact CB-CZ2 3.91Å; L387-W393 HydrophobicContact CB-CZ3 3.93Å; L387-W393 HydrophobicContact CD1-CD2 3.99Å; L387-W393 HydrophobicContact CD1-CG 3.95Å; L387-W393 HydrophobicContact CD1-CZ2 4.5Å; L387-W393 HydrophobicContact CD2-CZ2 3.96Å; L387-W393 HydrophobicContact CG-CD2 4.46Å; L387-W393 HydrophobicContact CG-CZ2 4.34Å; W393-I405 HydrophobicContact CB-CD1 4.05Å; W393-I405 HydrophobicContact CD2-CD1 4.01Å; W393-I405 HydrophobicContact CD2-CG1 4.42Å; W393-I405 HydrophobicContact CD2-CG2 3.6Å; W393-I405 VanDerWaalsContact CE2-CG2 3.41Å; W393-I405 HydrophobicContact CE3-CD1 3.93Å; W393-I405 HydrophobicContact CE3-CG1 4.22Å; W393-I405 HydrophobicContact CE3-CG2 4.13Å; W393-I405 HydrophobicContact CG-CD1 4.09Å; W393-I405 HydrophobicContact CG-CG2 3.94Å; W393-I405 HydrophobicContact CH2-CG2 4.29Å; W393-I405 HydrophobicContact CZ2-CG2 3.79Å; W393-I405 HydrophobicContact CZ3-CG2 4.45Å; W393-V413 PolarHBondContact N-O 3.27Å; W393-V414 HydrophobicContact CB-CB 4.36Å; W393-V414 HydrophobicContact CB-CG1 4.42Å; W393-V414 HydrophobicContact CB-CG2 3.88Å; W393-V414 HydrophobicContact CG-CG2 4.27Å; W393-Y415 PolarHBondContact O-N 3.4Å
394	M	95.1	Very high	91.5	Very high	13 Å²	13	58.3 Å²	58.3	6%	0.064	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114.8	175.8	-64.2	-60.5	-63.7	0	0	108.8	T384 L385 E386 Q388 K392 E396 Y415	T384-M394 HydrophobicContact CG2-CB 4.41Å; L385-M394 WeakPolarHBondContact CA-O 3.49Å; E386-M394 PolarHBondContact N-O 2.82Å; E386-M394 PolarHBondContact O-N 3.11Å; Q388-M394 VanDerWaalsContact CD-CG 3.46Å; Q388-M394 HydrophobicContact CG-CG 3.89Å; K392-M394 HydrophobicContact CD-SD 3.68Å; K392-M394 WeakPolarHBondContact CE-SD 3.29Å; K392-M394 HydrophobicContact CG-CG 4.44Å; K392-M394 HydrophobicContact CG-SD 3.82Å; M394-E396 HydrophobicContact CE-CG 4.14Å; M394-E396 WeakPolarHBondContact CE-OE1 3.37Å; M394-Y415 HydrophobicContact CE-CD1 3.52Å; M394-Y415 HydrophobicContact CE-CE1 4.14Å; M394-Y415 HydrophobicContact CE-CG 4.48Å; M394-Y415 HydrophobicContact SD-CD1 3.96Å; M394-Y415 HydrophobicContact SD-CG 4.39Å
395	V	95.2	Very high	91.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	96.7	177	-173.9	0	0	0	0	107.5	T384 L385 Q398 P403 I405 V414 Y415 M416 Y417 C419 L424	T384-V395 WeakPolarHBondContact O-CA 3.46Å; L385-V395 HydrophobicContact CD1-CG1 4.48Å; L385-V395 HydrophobicContact CD1-CG2 4.3Å; V395-Q398 HydrophobicContact CG1-CG 3.64Å; V395-P403 HydrophobicContact CG1-CG 4.47Å; V395-I405 HydrophobicContact CG2-CD1 3.58Å; V395-V414 HydrophobicContact CG2-CG1 4.49Å; V395-Y415 PolarHBondContact N-O 2.97Å; V395-M416 HydrophobicContact CB-CG 4.42Å; V395-M416 HydrophobicContact CG1-CG 4.41Å; V395-M416 CarbonylContact O-C 3.55Å; V395-M416 VanDerWaalsContact O-CA 3.29Å; V395-M416 WeakPolarHBondContact O-CA 3.44Å; V395-Y417 PolarHBondContact O-N 3.13Å; V395-C419 PolarHBondContact O-SG 3.4Å; V395-C419 VanDerWaalsContact O-SG 3.35Å; V395-L424 HydrophobicContact CB-CD2 4.48Å; V395-L424 HydrophobicContact CG1-CD2 4.46Å; V395-L424 HydrophobicContact CG2-CD1 4.26Å; V395-L424 HydrophobicContact CG2-CD2 4.13Å
396	E	94.1	Very high	91.9	Very high	39 Å²	39	59.3 Å²	59.3	18%	0.182	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.6	-172	-48.9	-166.8	147.3	0	0	112.2	A383 T384 M394 Q398 Y417	A383-E396 WeakPolarHBondContact CA-O 2.98Å; T384-E396 PolarHBondContact N-O 3.39Å; T384-E396 PolarHBondContact O-N 2.69Å; M394-E396 HydrophobicContact CE-CG 4.14Å; M394-E396 WeakPolarHBondContact CE-OE1 3.37Å; E396-Q398 PolarHBondContact O-N 3.39Å; E396-Y417 WeakPolarHBondContact CA-O 3.29Å
397	Y	90.7	Very high	92	Very high	24 Å²	24	55.8 Å²	55.8	9%	0.094	32%	0.315	C	S	.	.	S	Bend	trans	55.2	24.3	172.6	-49.7	-78.1	0	0	0	114.3	L380 K381 V399 Y417 K418	L380-Y397 HydrophobicContact CB-CD1 4.42Å; L380-Y397 HydrophobicContact CD2-CD1 4.05Å; L380-Y397 HydrophobicContact CG-CD1 4.3Å; K381-Y397 HydrophobicContact CB-CD1 4.42Å; K381-Y397 HydrophobicContact CB-CD2 3.77Å; K381-Y397 HydrophobicContact CB-CE1 4.27Å; K381-Y397 HydrophobicContact CB-CE2 3.65Å; K381-Y397 HydrophobicContact CB-CG 4.19Å; K381-Y397 HydrophobicContact CD-CE2 3.91Å; K381-Y397 HydrophobicContact CG-CE2 4.27Å; K381-Y397 WeakPolarHBondContact O-CB 3.44Å; Y397-V399 PolarHBondContact O-N 2.89Å; Y397-Y417 HydrophobicContact CE1-CE1 4.48Å; Y397-Y417 PolarHBondContact N-O 3.41Å; Y397-Y417 VanDerWaalsContact N-O 3.1Å; Y397-Y417 WeakPolarHBondContact OH-CE1 2.93Å; Y397-K418 HydrophobicContact CD1-CB 4.09Å; Y397-K418 HydrophobicContact CE1-CB 4.06Å; Y397-K418 HydrophobicContact CE1-CD 3.83Å
398	Q	88.9	Confident	91.8	Very high	21 Å²	21	61.6 Å²	61.6	10%	0.098	34%	0.341	C	S	.	.			trans	-72.2	125.4	174.3	-64.7	-65.1	-24.4	0	0	109.4	T384 V395 E396 T401 C419 V420 C422	T384-Q398 PolarHBondContact O-NE2 3.13Å; T384-Q398 VanDerWaalsContact O-NE2 3.13Å; V395-Q398 HydrophobicContact CG1-CG 3.64Å; E396-Q398 PolarHBondContact O-N 3.39Å; Q398-T401 WeakPolarHBondContact CB-OG1 3.38Å; Q398-T401 PolarHBondContact OE1-OG1 3.46Å; Q398-C419 HydrophobicContact CB-CB 4.19Å; Q398-C419 CarbonylContact O-C 3.45Å; Q398-C419 WeakPolarHBondContact O-CA 3.15Å; Q398-V420 PolarHBondContact O-N 3.06Å; Q398-C422 HydrophobicContact CB-CB 4.3Å
399	V	90	Very high	91.9	Very high	61 Å²	61	61 Å²	61	37%	0.37	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-128.5	126.3	-179.6	-177.4	0	0	0	0	109.3	L380 Y397 T401 V420	L380-V399 HydrophobicContact CD2-CG2 3.98Å; Y397-V399 PolarHBondContact O-N 2.89Å; V399-T401 PolarHBondContact O-N 3.42Å; V399-V420 VanDerWaalsContact CA-O 3.31Å; V399-V420 WeakPolarHBondContact CA-O 3.24Å; V399-V420 HydrophobicContact CG2-CB 4.4Å
400	D	90	Very high	92.1	Very high	108 Å²	108	61.6 Å²	61.6	58%	0.578	32%	0.322	S	S	*	.	S	Bend	trans	56.4	34.2	178.7	-59.5	-47.2	0	0	0	113.9	V420 N421	D400-V420 PolarHBondContact N-O 3.14Å; D400-V420 VanDerWaalsContact N-O 3.08Å; D400-N421 WeakPolarHBondContact OD1-CB 3.41Å; D400-N421 PolarHBondContact OD1-ND2 2.97Å
401	T	89.2	Confident	92.4	Very high	49 Å²	49	66.3 Å²	66.3	30%	0.301	33%	0.33	S	S	.	.			trans	-118.2	160.3	-179.7	57.6	0	0	0	0	112.9	Q398 V399 P403 C422 T423	Q398-T401 WeakPolarHBondContact CB-OG1 3.38Å; Q398-T401 PolarHBondContact OE1-OG1 3.46Å; V399-T401 PolarHBondContact O-N 3.42Å; T401-P403 VanDerWaalsContact C-CD 3.4Å; T401-P403 WeakPolarHBondContact O-CD 3.48Å; T401-C422 CarbonylContact O-C 3.55Å; T401-C422 VanDerWaalsContact O-CA 3.26Å; T401-C422 WeakPolarHBondContact O-CA 3.28Å; T401-C422 PolarHBondContact O-SG 2.98Å; T401-C422 VanDerWaalsContact O-SG 3.4Å; T401-T423 PolarHBondContact O-N 3.28Å
402	T	94.1	Very high	92.6	Very high	102 Å²	102	60.2 Å²	60.2	63%	0.626	30%	0.304	S	S	*	.			trans	-124.3	65.2	176.1	59.8	0	0	0	0	111.2	T423	T402-T423 CarbonylContact C-O 3.56Å; T402-T423 WeakPolarHBondContact CA-O 3.49Å
403	P	92.3	Very high	92.7	Very high	16 Å²	16	57.7 Å²	57.7	10%	0.104	30%	0.295	C	S	.	.			trans	-64.2	145	-177.8	27.1	-34.7	0	0	0	111.9	L385 V395 T401 C422 L424 Q425	L385-P403 HydrophobicContact CD1-CB 3.39Å; L385-P403 HydrophobicContact CD1-CG 4.32Å; V395-P403 HydrophobicContact CG1-CG 4.47Å; T401-P403 VanDerWaalsContact C-CD 3.4Å; T401-P403 WeakPolarHBondContact O-CD 3.48Å; P403-C422 WeakPolarHBondContact CD-SG 3.3Å; P403-L424 HydrophobicContact CB-CD1 4.04Å; P403-L424 HydrophobicContact CG-CB 4.29Å; P403-L424 HydrophobicContact CG-CD1 3.69Å; P403-Q425 PolarHBondContact O-N 3.13Å
404	T	93.9	Very high	92.7	Very high	65 Å²	65	56 Å²	56	40%	0.399	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.6	172.6	-55.5	0	0	0	0	109.5	Q425 K427	T404-Q425 CarbonylContact C-O 3.53Å; T404-Q425 VanDerWaalsContact CA-O 3.24Å; T404-Q425 WeakPolarHBondContact CA-O 3.23Å; T404-Q425 HydrophobicContact CG2-CB 4.22Å; T404-K427 HydrophobicContact CG2-CD 4.44Å
405	I	94.1	Very high	92.8	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.3	175.8	-64.3	177.6	0	0	0	108	L385 W393 V395 I407 V414 L424 Q425 I426 K427	L385-I405 HydrophobicContact CD1-CG1 4.47Å; W393-I405 HydrophobicContact CB-CD1 4.05Å; W393-I405 HydrophobicContact CD2-CD1 4.01Å; W393-I405 HydrophobicContact CD2-CG1 4.42Å; W393-I405 HydrophobicContact CD2-CG2 3.6Å; W393-I405 VanDerWaalsContact CE2-CG2 3.41Å; W393-I405 HydrophobicContact CE3-CD1 3.93Å; W393-I405 HydrophobicContact CE3-CG1 4.22Å; W393-I405 HydrophobicContact CE3-CG2 4.13Å; W393-I405 HydrophobicContact CG-CD1 4.09Å; W393-I405 HydrophobicContact CG-CG2 3.94Å; W393-I405 HydrophobicContact CH2-CG2 4.29Å; W393-I405 HydrophobicContact CZ2-CG2 3.79Å; W393-I405 HydrophobicContact CZ3-CG2 4.45Å; V395-I405 HydrophobicContact CG2-CD1 3.58Å; I405-I407 HydrophobicContact CG2-CD1 3.81Å; I405-V414 HydrophobicContact CD1-CG1 4.47Å; I405-L424 HydrophobicContact CD1-CD1 3.87Å; I405-L424 HydrophobicContact CG1-CD1 4.07Å; I405-Q425 PolarHBondContact N-O 3.44Å; I405-I426 CarbonylContact O-C 3.53Å; I405-I426 WeakPolarHBondContact O-CA 3.39Å; I405-K427 PolarHBondContact O-N 2.84Å
406	E	94	Very high	92.9	Very high	127 Å²	127	57.5 Å²	57.5	59%	0.593	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	116.6	170.7	-64.8	-172.4	167.4	0	0	109	K427	E406-K427 HydrophobicContact CG-CB 4.33Å; E406-K427 HydrophobicContact CG-CD 4.35Å
407	I	94.2	Very high	93	Very high	22 Å²	22	58.1 Å²	58.1	11%	0.113	30%	0.295	C	S	.	.			trans	-80.7	121.8	-177.5	-57.6	-67	0	0	0	109.2	I405 D409 Q412 V414 I426 K427 K429 L430	I405-I407 HydrophobicContact CG2-CD1 3.81Å; I407-D409 WeakPolarHBondContact CG2-O 3.26Å; I407-Q412 HydrophobicContact CD1-CB 4.4Å; I407-Q412 HydrophobicContact CG2-CB 4.2Å; I407-V414 HydrophobicContact CD1-CG2 4.13Å; I407-I426 HydrophobicContact CD1-CG2 3.89Å; I407-I426 HydrophobicContact CG1-CG2 3.55Å; I407-K427 WeakPolarHBondContact CB-O 3.42Å; I407-K427 WeakPolarHBondContact CG1-O 3.39Å; I407-K427 PolarHBondContact N-O 2.77Å; I407-K429 VanDerWaalsContact CG2-O 3.23Å; I407-K429 WeakPolarHBondContact CG2-O 3.27Å; I407-L430 HydrophobicContact CD1-CB 4.17Å; I407-L430 HydrophobicContact CD1-CD1 4.1Å; I407-L430 HydrophobicContact CG1-CB 4.06Å; I407-L430 HydrophobicContact CG1-CD1 4.44Å; I407-L430 HydrophobicContact CG2-CB 4.01Å
408	Q	90.2	Very high	93.1	Very high	176 Å²	176	61.2 Å²	61.2	82%	0.822	31%	0.309	S	S	*	.	S	Bend	trans	-94.1	-26.6	179.6	-64.2	-179.9	-2.4	0	0	112.8
409	D	89.8	Confident	93.3	Very high	75 Å²	75	60.2 Å²	60.2	40%	0.401	30%	0.304	S	S	.	.			trans	-133.5	128.9	-179.3	-178.7	-8.8	0	0	0	109.8	I407 K411 Q412	I407-D409 WeakPolarHBondContact CG2-O 3.26Å; D409-K411 PolarHBondContact O-N 3.47Å; D409-K411 VanDerWaalsContact O-N 3.08Å; D409-K411 WeakPolarHBondContact OD1-CB 3.35Å; D409-K411 PolarHBondContact OD1-N 2.88Å; D409-Q412 HydrophobicContact CB-CG 4.17Å; D409-Q412 VanDerWaalsContact O-CB 3.25Å; D409-Q412 WeakPolarHBondContact O-CB 3.45Å; D409-Q412 WeakPolarHBondContact O-CG 3.38Å; D409-Q412 PolarHBondContact O-N 3.08Å
410	M	89.7	Confident	93.4	Very high	97 Å²	97	59.9 Å²	59.9	48%	0.478	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-20.8	177.3	-178.4	-178.4	175.4	0	0	113.5	Q412 K429 L430 N431 V449	M410-Q412 VanDerWaalsContact C-N 3.26Å; M410-Q412 PolarHBondContact O-N 3.38Å; M410-K429 WeakPolarHBondContact CA-O 3.4Å; M410-K429 HydrophobicContact CE-CD 3.7Å; M410-K429 HydrophobicContact CG-CD 4Å; M410-K429 HydrophobicContact CG-CG 4.05Å; M410-K429 HydrophobicContact SD-CD 3.74Å; M410-K429 HydrophobicContact SD-CG 4.46Å; M410-L430 CarbonylContact O-C 3.51Å; M410-N431 WeakPolarHBondContact O-CB 3.27Å; M410-N431 PolarHBondContact O-N 2.91Å; M410-V449 HydrophobicContact CE-CB 4.3Å; M410-V449 HydrophobicContact CE-CG1 4.09Å; M410-V449 HydrophobicContact CE-CG2 3.18Å; M410-V449 HydrophobicContact CG-CG2 3.78Å; M410-V449 HydrophobicContact SD-CG2 4.26Å
411	K	91.8	Very high	93.5	Very high	143 Å²	143	57.9 Å²	57.9	62%	0.622	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.7	175	-64.6	177.1	-177.6	173.3	0	113.7	D409	D409-K411 PolarHBondContact O-N 3.47Å; D409-K411 VanDerWaalsContact O-N 3.08Å; D409-K411 WeakPolarHBondContact OD1-CB 3.35Å; D409-K411 PolarHBondContact OD1-N 2.88Å
412	Q	94.9	Very high	93.6	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.023	28%	0.277	C	S	.	.			trans	-68.5	150	178.6	-69.3	178	-1.8	0	0	111.3	G390 K391 I407 D409 M410 N431	G390-Q412 PolarHBondContact O-NE2 2.97Å; K391-Q412 CarbonylContact O-C 3.48Å; K391-Q412 WeakPolarHBondContact O-CA 3.45Å; I407-Q412 HydrophobicContact CD1-CB 4.4Å; I407-Q412 HydrophobicContact CG2-CB 4.2Å; D409-Q412 HydrophobicContact CB-CG 4.17Å; D409-Q412 VanDerWaalsContact O-CB 3.25Å; D409-Q412 WeakPolarHBondContact O-CB 3.45Å; D409-Q412 WeakPolarHBondContact O-CG 3.38Å; D409-Q412 PolarHBondContact O-N 3.08Å; M410-Q412 VanDerWaalsContact C-N 3.26Å; M410-Q412 PolarHBondContact O-N 3.38Å; Q412-N431 WeakPolarHBondContact O-CB 3.37Å; Q412-N431 PolarHBondContact O-N 3.01Å
413	V	96.7	Very high	93.6	Very high	28 Å²	28	52.4 Å²	52.4	17%	0.17	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	147.5	177.8	-61.9	0	0	0	0	109.3	K391 K392 W393 N431 S432	K391-V413 PolarHBondContact O-N 2.58Å; K392-V413 WeakPolarHBondContact CA-O 3.5Å; K392-V413 HydrophobicContact CB-CG2 3.97Å; K392-V413 HydrophobicContact CG-CG2 3.91Å; W393-V413 PolarHBondContact N-O 3.27Å; V413-N431 HydrophobicContact CG1-CB 3.96Å; V413-S432 WeakPolarHBondContact CA-O 3.31Å; V413-S432 VanDerWaalsContact CG1-OG 3.27Å; V413-S432 WeakPolarHBondContact CG1-OG 3.27Å
414	V	97.8	Very high	93.8	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.8	-180	176.6	0	0	0	0	109.6	W393 V395 I405 I407 L424 I426 L430 S432 I433 T434	W393-V414 HydrophobicContact CB-CB 4.36Å; W393-V414 HydrophobicContact CB-CG1 4.42Å; W393-V414 HydrophobicContact CB-CG2 3.88Å; W393-V414 HydrophobicContact CG-CG2 4.27Å; V395-V414 HydrophobicContact CG2-CG1 4.49Å; I405-V414 HydrophobicContact CD1-CG1 4.47Å; I407-V414 HydrophobicContact CD1-CG2 4.13Å; V414-L424 HydrophobicContact CG1-CD2 3.93Å; V414-I426 HydrophobicContact CB-CD1 4.14Å; V414-I426 HydrophobicContact CG1-CD1 3.92Å; V414-I426 HydrophobicContact CG2-CD1 4.02Å; V414-I426 HydrophobicContact CG2-CG1 4.5Å; V414-I426 HydrophobicContact CG2-CG2 4.45Å; V414-L430 HydrophobicContact CB-CD1 4.1Å; V414-L430 HydrophobicContact CG2-CD1 3.45Å; V414-L430 VanDerWaalsContact CG2-CD1 3.45Å; V414-S432 PolarHBondContact N-O 3.25Å; V414-I433 HydrophobicContact CB-CG1 4.35Å; V414-I433 CarbonylContact O-C 3.52Å; V414-I433 WeakPolarHBondContact O-CA 3.47Å; V414-T434 PolarHBondContact O-N 3.4Å
415	Y	97.3	Very high	93.9	Very high	46 Å²	46	52.6 Å²	52.6	18%	0.18	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	114.4	175.4	-175.6	-102.9	0	0	0	109.5	W393 M394 V395 Y417 T434 D436	W393-Y415 PolarHBondContact O-N 3.4Å; M394-Y415 HydrophobicContact CE-CD1 3.52Å; M394-Y415 HydrophobicContact CE-CE1 4.14Å; M394-Y415 HydrophobicContact CE-CG 4.48Å; M394-Y415 HydrophobicContact SD-CD1 3.96Å; M394-Y415 HydrophobicContact SD-CG 4.39Å; V395-Y415 PolarHBondContact N-O 2.97Å; Y415-Y417 HydrophobicContact CE1-CD2 4.3Å; Y415-Y417 HydrophobicContact CE1-CG 4.13Å; Y415-Y417 WeakPolarHBondContact OH-CD2 3.17Å; Y415-T434 WeakPolarHBondContact CA-O 3.44Å; Y415-T434 HydrophobicContact CD2-CG2 3.8Å; Y415-T434 HydrophobicContact CE2-CG2 3.74Å; Y415-D436 HydrophobicContact CE2-CB 4.16Å; Y415-D436 PolarHBondContact OH-OD2 3.08Å
416	M	96.4	Very high	94.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116	-179.6	-173.3	179.3	-175.5	0	0	109.8	V395 C419 C422 L424 T434 M435 D436 I443	V395-M416 HydrophobicContact CB-CG 4.42Å; V395-M416 HydrophobicContact CG1-CG 4.41Å; V395-M416 CarbonylContact O-C 3.55Å; V395-M416 VanDerWaalsContact O-CA 3.29Å; V395-M416 WeakPolarHBondContact O-CA 3.44Å; M416-C419 HydrophobicContact CE-CB 3.37Å; M416-C419 HydrophobicContact CG-CB 4.08Å; M416-C422 HydrophobicContact CE-CB 3.83Å; M416-L424 HydrophobicContact CB-CD2 4.41Å; M416-L424 HydrophobicContact CE-CB 4.25Å; M416-L424 HydrophobicContact CG-CD2 4.42Å; M416-L424 HydrophobicContact SD-CB 4.14Å; M416-L424 HydrophobicContact SD-CD2 3.92Å; M416-T434 PolarHBondContact N-O 3.33Å; M416-M435 HydrophobicContact SD-CE 4.42Å; M416-M435 HydrophobicContact SD-CG 4.43Å; M416-D436 PolarHBondContact O-N 2.93Å; M416-I443 HydrophobicContact SD-CG2 3.58Å; M416-I443 VanDerWaalsContact SD-CG2 3.58Å
417	Y	96.4	Very high	94.1	Very high	51 Å²	51	51.4 Å²	51.4	20%	0.2	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.4	-172.6	-176.1	-112.5	0	0	0	113	V395 E396 Y397 Y415 C419 D436 A437	V395-Y417 PolarHBondContact O-N 3.13Å; E396-Y417 WeakPolarHBondContact CA-O 3.29Å; Y397-Y417 HydrophobicContact CE1-CE1 4.48Å; Y397-Y417 PolarHBondContact N-O 3.41Å; Y397-Y417 VanDerWaalsContact N-O 3.1Å; Y397-Y417 WeakPolarHBondContact OH-CE1 2.93Å; Y415-Y417 HydrophobicContact CE1-CD2 4.3Å; Y415-Y417 HydrophobicContact CE1-CG 4.13Å; Y415-Y417 WeakPolarHBondContact OH-CD2 3.17Å; Y417-C419 PolarHBondContact O-N 3.14Å; Y417-C419 PolarHBondContact O-SG 3.4Å; Y417-D436 WeakPolarHBondContact CA-O 3.48Å; Y417-D436 HydrophobicContact CD2-CB 4.01Å; Y417-A437 HydrophobicContact CD2-CB 4.29Å; Y417-A437 HydrophobicContact CE2-CB 3.92Å
418	K	92.6	Very high	94.1	Very high	89 Å²	89	51.6 Å²	51.6	39%	0.387	25%	0.253	S	S	.	.	S	Bend	trans	49.1	35.1	174.9	-76.3	-173.8	174.7	163.6	0	114.6	Y397 D436 A437	Y397-K418 HydrophobicContact CD1-CB 4.09Å; Y397-K418 HydrophobicContact CE1-CB 4.06Å; Y397-K418 HydrophobicContact CE1-CD 3.83Å; K418-D436 PolarHBondContact N-O 2.83Å; K418-A437 WeakPolarHBondContact CA-O 3.25Å; K418-A437 HydrophobicContact CG-CB 3.78Å
419	C	93.4	Very high	94.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.231	C	C	.	.			trans	-88.4	138	176.1	-64.3	0	0	0	0	110.3	V395 Q398 M416 Y417 C422 C438 K439 S441	V395-C419 PolarHBondContact O-SG 3.4Å; V395-C419 VanDerWaalsContact O-SG 3.35Å; Q398-C419 HydrophobicContact CB-CB 4.19Å; Q398-C419 CarbonylContact O-C 3.45Å; Q398-C419 WeakPolarHBondContact O-CA 3.15Å; M416-C419 HydrophobicContact CE-CB 3.37Å; M416-C419 HydrophobicContact CG-CB 4.08Å; Y417-C419 PolarHBondContact O-N 3.14Å; Y417-C419 PolarHBondContact O-SG 3.4Å; C419-C422 HydrophobicContact CB-CB 4.03Å; C419-C438 PolarHBondContact N-SG 2.65Å; C419-C438 VanDerWaalsContact N-SG 3.39Å; C419-C438 VanDerWaalsContact O-CA 3.32Å; C419-C438 WeakPolarHBondContact O-CA 3.43Å; C419-C438 WeakPolarHBondContact O-CB 3.45Å; C419-K439 PolarHBondContact O-N 2.96Å; C419-S441 VanDerWaalsContact C-OG 3.29Å; C419-S441 PolarHBondContact O-OG 3.5Å
420	V	92.1	Very high	94.6	Very high	55 Å²	55	43.6 Å²	43.6	33%	0.333	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-125.5	128.3	-174.8	-176.4	0	0	0	0	110.8	Q398 V399 D400 C422 K439	Q398-V420 PolarHBondContact O-N 3.06Å; V399-V420 VanDerWaalsContact CA-O 3.31Å; V399-V420 WeakPolarHBondContact CA-O 3.24Å; V399-V420 HydrophobicContact CG2-CB 4.4Å; D400-V420 PolarHBondContact N-O 3.14Å; D400-V420 VanDerWaalsContact N-O 3.08Å; V420-C422 PolarHBondContact O-N 3.25Å; V420-C422 VanDerWaalsContact O-N 3.16Å; V420-K439 VanDerWaalsContact CA-O 3.28Å; V420-K439 WeakPolarHBondContact CA-O 3.26Å; V420-K439 HydrophobicContact CG1-CB 4.48Å; V420-K439 HydrophobicContact CG2-CB 4.42Å
421	N	91.9	Very high	94.9	Very high	65 Å²	65	41.7 Å²	41.7	35%	0.348	20%	0.204	S	C	.	.	S	Bend	trans	52.7	35.1	-178.8	-161.4	51.1	0	0	0	112.8	D400 K439 R440 S441	D400-N421 WeakPolarHBondContact OD1-CB 3.41Å; D400-N421 PolarHBondContact OD1-ND2 2.97Å; N421-K439 PolarHBondContact N-O 3.13Å; N421-R440 VanDerWaalsContact CA-O 3.31Å; N421-R440 WeakPolarHBondContact CA-O 3.47Å; N421-S441 PolarHBondContact N-OG 3.25Å
422	C	92.3	Very high	95.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.			trans	-104.7	137.3	-176	178.5	0	0	0	0	110	Q398 T401 P403 M416 C419 V420 S441 R442	Q398-C422 HydrophobicContact CB-CB 4.3Å; T401-C422 CarbonylContact O-C 3.55Å; T401-C422 VanDerWaalsContact O-CA 3.26Å; T401-C422 WeakPolarHBondContact O-CA 3.28Å; T401-C422 PolarHBondContact O-SG 2.98Å; T401-C422 VanDerWaalsContact O-SG 3.4Å; P403-C422 WeakPolarHBondContact CD-SG 3.3Å; M416-C422 HydrophobicContact CE-CB 3.83Å; C419-C422 HydrophobicContact CB-CB 4.03Å; V420-C422 PolarHBondContact O-N 3.25Å; V420-C422 VanDerWaalsContact O-N 3.16Å; C422-S441 PolarHBondContact N-OG 3.04Å; C422-S441 CarbonylContact O-C 3.57Å; C422-S441 WeakPolarHBondContact O-CA 3.45Å; C422-S441 WeakPolarHBondContact O-CB 3.41Å; C422-R442 PolarHBondContact O-N 2.79Å
423	T	94.3	Very high	95.2	Very high	37 Å²	37	35.7 Å²	35.7	23%	0.227	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	99.6	172.7	-57.8	0	0	0	0	109.6	T401 T402 R442	T401-T423 PolarHBondContact O-N 3.28Å; T402-T423 CarbonylContact C-O 3.56Å; T402-T423 WeakPolarHBondContact CA-O 3.49Å; T423-R442 CarbonylContact C-O 3.47Å; T423-R442 WeakPolarHBondContact CA-O 2.96Å; T423-R442 HydrophobicContact CG2-CB 4.19Å
424	L	96.6	Very high	95.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.2	180	175.8	63.4	0	0	0	110.2	V395 P403 I405 V414 M416 I426 R442 I443 V444	V395-L424 HydrophobicContact CB-CD2 4.48Å; V395-L424 HydrophobicContact CG1-CD2 4.46Å; V395-L424 HydrophobicContact CG2-CD1 4.26Å; V395-L424 HydrophobicContact CG2-CD2 4.13Å; P403-L424 HydrophobicContact CB-CD1 4.04Å; P403-L424 HydrophobicContact CG-CB 4.29Å; P403-L424 HydrophobicContact CG-CD1 3.69Å; I405-L424 HydrophobicContact CD1-CD1 3.87Å; I405-L424 HydrophobicContact CG1-CD1 4.07Å; V414-L424 HydrophobicContact CG1-CD2 3.93Å; M416-L424 HydrophobicContact CB-CD2 4.41Å; M416-L424 HydrophobicContact CE-CB 4.25Å; M416-L424 HydrophobicContact CG-CD2 4.42Å; M416-L424 HydrophobicContact SD-CB 4.14Å; M416-L424 HydrophobicContact SD-CD2 3.92Å; L424-I426 HydrophobicContact CD1-CG1 4.46Å; L424-I426 HydrophobicContact CD2-CD1 4.07Å; L424-I426 HydrophobicContact CD2-CG1 4.24Å; L424-I426 HydrophobicContact CG-CD1 4.29Å; L424-I426 HydrophobicContact CG-CG1 3.98Å; L424-R442 PolarHBondContact N-O 2.99Å; L424-I443 HydrophobicContact CB-CG2 4.3Å; L424-I443 HydrophobicContact CD2-CG2 4.44Å; L424-I443 WeakPolarHBondContact O-CA 3.2Å; L424-V444 PolarHBondContact O-N 3.08Å
425	Q	96.1	Very high	95.2	Very high	85 Å²	85	35.5 Å²	35.5	40%	0.397	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124	174.7	-65.3	-175.4	-18.1	0	0	109.8	P403 T404 I405 V444	P403-Q425 PolarHBondContact O-N 3.13Å; T404-Q425 CarbonylContact C-O 3.53Å; T404-Q425 VanDerWaalsContact CA-O 3.24Å; T404-Q425 WeakPolarHBondContact CA-O 3.23Å; T404-Q425 HydrophobicContact CG2-CB 4.22Å; I405-Q425 PolarHBondContact N-O 3.44Å; Q425-V444 CarbonylContact C-O 3.49Å; Q425-V444 WeakPolarHBondContact CA-O 3.25Å
426	I	97	Very high	95.2	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	113	-179	-55.7	163.6	0	0	0	107.8	I405 I407 V414 L424 L430 I433 V444 F445 D446	I405-I426 CarbonylContact O-C 3.53Å; I405-I426 WeakPolarHBondContact O-CA 3.39Å; I407-I426 HydrophobicContact CD1-CG2 3.89Å; I407-I426 HydrophobicContact CG1-CG2 3.55Å; V414-I426 HydrophobicContact CB-CD1 4.14Å; V414-I426 HydrophobicContact CG1-CD1 3.92Å; V414-I426 HydrophobicContact CG2-CD1 4.02Å; V414-I426 HydrophobicContact CG2-CG1 4.5Å; V414-I426 HydrophobicContact CG2-CG2 4.45Å; L424-I426 HydrophobicContact CD1-CG1 4.46Å; L424-I426 HydrophobicContact CD2-CD1 4.07Å; L424-I426 HydrophobicContact CD2-CG1 4.24Å; L424-I426 HydrophobicContact CG-CD1 4.29Å; L424-I426 HydrophobicContact CG-CG1 3.98Å; I426-L430 HydrophobicContact CG2-CD1 3.99Å; I426-L430 HydrophobicContact CG2-CD2 4.26Å; I426-I433 HydrophobicContact CD1-CD1 3.79Å; I426-I433 HydrophobicContact CD1-CG1 4.14Å; I426-V444 PolarHBondContact N-O 3.28Å; I426-F445 HydrophobicContact CB-CB 3.92Å; I426-F445 HydrophobicContact CD1-CB 4.37Å; I426-F445 VanDerWaalsContact O-CA 3.29Å; I426-F445 WeakPolarHBondContact O-CA 3.38Å; I426-D446 PolarHBondContact O-N 3.3Å
427	K	95	Very high	95.1	Very high	100 Å²	100	35.7 Å²	35.7	44%	0.435	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	141.5	178.2	-63.8	-175.9	-178.1	174.2	0	110.7	T404 I405 E406 I407 D446	T404-K427 HydrophobicContact CG2-CD 4.44Å; I405-K427 PolarHBondContact O-N 2.84Å; E406-K427 HydrophobicContact CG-CB 4.33Å; E406-K427 HydrophobicContact CG-CD 4.35Å; I407-K427 WeakPolarHBondContact CB-O 3.42Å; I407-K427 WeakPolarHBondContact CG1-O 3.39Å; I407-K427 PolarHBondContact N-O 2.77Å; K427-D446 WeakPolarHBondContact CA-OD2 3.38Å
428	G	93.9	Very high	95.1	Very high	26 Å²	26	33.3 Å²	33.3	27%	0.268	18%	0.177	S	C	.	.	S	Bend	trans	92	174.8	-178.7	0	0	0	0	0	113.5	D446	G428-D446 PolarHBondContact N-OD2 2.95Å
429	K	95	Very high	95.1	Very high	83 Å²	83	33.2 Å²	33.2	36%	0.361	18%	0.176	S	C	.	.			trans	-87.8	131.2	-178	-171.7	-178.2	-59	-73.3	0	110.1	I407 M410 D447 V449	I407-K429 VanDerWaalsContact CG2-O 3.23Å; I407-K429 WeakPolarHBondContact CG2-O 3.27Å; M410-K429 WeakPolarHBondContact CA-O 3.4Å; M410-K429 HydrophobicContact CE-CD 3.7Å; M410-K429 HydrophobicContact CG-CD 4Å; M410-K429 HydrophobicContact CG-CG 4.05Å; M410-K429 HydrophobicContact SD-CD 3.74Å; M410-K429 HydrophobicContact SD-CG 4.46Å; K429-D447 WeakPolarHBondContact CA-O 3.43Å; K429-D447 HydrophobicContact CB-CB 3.97Å; K429-D447 HydrophobicContact CD-CB 4.34Å; K429-D447 HydrophobicContact CG-CB 3.68Å; K429-D447 VanDerWaalsContact NZ-CB 3.34Å; K429-D447 IonicContact NZ-OD2 2.77Å; K429-D447 PolarHBondContact NZ-OD2 3.01Å; K429-V449 HydrophobicContact CD-CG2 4.34Å; K429-V449 HydrophobicContact CG-CG2 4.22Å
430	L	96.1	Very high	95.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-135.5	169.4	178.9	77.8	170.6	0	0	0	112.9	I407 M410 V414 I426 I433 D447 L448 V449	I407-L430 HydrophobicContact CD1-CB 4.17Å; I407-L430 HydrophobicContact CD1-CD1 4.1Å; I407-L430 HydrophobicContact CG1-CB 4.06Å; I407-L430 HydrophobicContact CG1-CD1 4.44Å; I407-L430 HydrophobicContact CG2-CB 4.01Å; M410-L430 CarbonylContact O-C 3.51Å; V414-L430 HydrophobicContact CB-CD1 4.1Å; V414-L430 HydrophobicContact CG2-CD1 3.45Å; V414-L430 VanDerWaalsContact CG2-CD1 3.45Å; I426-L430 HydrophobicContact CG2-CD1 3.99Å; I426-L430 HydrophobicContact CG2-CD2 4.26Å; L430-I433 HydrophobicContact CD1-CD1 4.2Å; L430-I433 HydrophobicContact CD1-CG1 3.66Å; L430-I433 HydrophobicContact CD2-CD1 4.18Å; L430-I433 HydrophobicContact CD2-CG1 4.39Å; L430-I433 HydrophobicContact CG-CG1 4.27Å; L430-D447 WeakPolarHBondContact CD2-O 3.39Å; L430-D447 PolarHBondContact N-O 3.16Å; L430-D447 VanDerWaalsContact N-O 3.1Å; L430-L448 HydrophobicContact CD1-CD1 4.46Å; L430-L448 HydrophobicContact CD2-CD1 3.47Å; L430-L448 VanDerWaalsContact CD2-CD1 3.47Å; L430-L448 HydrophobicContact CG-CD1 3.61Å; L430-V449 WeakPolarHBondContact O-CG2 3.49Å; L430-V449 PolarHBondContact O-N 2.78Å
431	N	95.4	Very high	95.4	Very high	57 Å²	57	37.9 Å²	37.9	31%	0.305	19%	0.188	S	C	.	.	S	Bend	trans	-76.9	-62.2	-173.8	-176.9	34	0	0	0	112.2	M410 Q412 V413 V449 S450	M410-N431 WeakPolarHBondContact O-CB 3.27Å; M410-N431 PolarHBondContact O-N 2.91Å; Q412-N431 WeakPolarHBondContact O-CB 3.37Å; Q412-N431 PolarHBondContact O-N 3.01Å; V413-N431 HydrophobicContact CG1-CB 3.96Å; N431-V449 PolarHBondContact O-N 3.48Å; N431-S450 PolarHBondContact O-N 3.47Å; N431-S450 PolarHBondContact O-OG 3.4Å; N431-S450 PolarHBondContact OD1-OG 3.29Å
432	S	95.7	Very high	95.6	Very high	23 Å²	23	40.3 Å²	40.3	16%	0.161	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	155.3	-176.6	68	0	0	0	0	112.2	V413 V414 S450 T451	V413-S432 WeakPolarHBondContact CA-O 3.31Å; V413-S432 VanDerWaalsContact CG1-OG 3.27Å; V413-S432 WeakPolarHBondContact CG1-OG 3.27Å; V414-S432 PolarHBondContact N-O 3.25Å; S432-S450 WeakPolarHBondContact CB-OG 3.41Å; S432-T451 WeakPolarHBondContact CA-O 3.32Å; S432-T451 WeakPolarHBondContact CB-O 3.42Å
433	I	97.9	Very high	95.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.4	174.4	-61	164	0	0	0	108.4	V414 I426 L430 I443 F445 L448 T451 V452 D453	V414-I433 HydrophobicContact CB-CG1 4.35Å; V414-I433 CarbonylContact O-C 3.52Å; V414-I433 WeakPolarHBondContact O-CA 3.47Å; I426-I433 HydrophobicContact CD1-CD1 3.79Å; I426-I433 HydrophobicContact CD1-CG1 4.14Å; L430-I433 HydrophobicContact CD1-CD1 4.2Å; L430-I433 HydrophobicContact CD1-CG1 3.66Å; L430-I433 HydrophobicContact CD2-CD1 4.18Å; L430-I433 HydrophobicContact CD2-CG1 4.39Å; L430-I433 HydrophobicContact CG-CG1 4.27Å; I433-I443 HydrophobicContact CG2-CD1 3.87Å; I433-F445 HydrophobicContact CD1-CB 3.86Å; I433-F445 HydrophobicContact CD1-CD1 3.45Å; I433-F445 VanDerWaalsContact CD1-CD1 3.45Å; I433-F445 HydrophobicContact CD1-CD2 4.01Å; I433-F445 HydrophobicContact CD1-CE1 3.91Å; I433-F445 HydrophobicContact CD1-CE2 4.42Å; I433-F445 HydrophobicContact CD1-CG 3.49Å; I433-F445 VanDerWaalsContact CD1-CG 3.49Å; I433-F445 HydrophobicContact CD1-CZ 4.37Å; I433-L448 HydrophobicContact CD1-CD1 3.96Å; I433-L448 HydrophobicContact CG1-CD1 3.87Å; I433-T451 PolarHBondContact N-O 3.03Å; I433-T451 VanDerWaalsContact N-O 3.14Å; I433-V452 HydrophobicContact CB-CG2 4.32Å; I433-V452 HydrophobicContact CD1-CG2 4.46Å; I433-V452 CarbonylContact O-C 3.53Å; I433-V452 VanDerWaalsContact O-CA 3.29Å; I433-V452 WeakPolarHBondContact O-CA 3.38Å; I433-D453 PolarHBondContact O-N 3.49Å
434	T	97.5	Very high	95.9	Very high	26 Å²	26	39.8 Å²	39.8	16%	0.16	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.8	171.8	-53.5	0	0	0	0	109.5	V414 Y415 M416 D453 I455	V414-T434 PolarHBondContact O-N 3.4Å; Y415-T434 WeakPolarHBondContact CA-O 3.44Å; Y415-T434 HydrophobicContact CD2-CG2 3.8Å; Y415-T434 HydrophobicContact CE2-CG2 3.74Å; M416-T434 PolarHBondContact N-O 3.33Å; T434-D453 CarbonylContact C-O 3.54Å; T434-D453 WeakPolarHBondContact CA-O 3.26Å; T434-D453 HydrophobicContact CG2-CB 4.23Å; T434-I455 HydrophobicContact CG2-CD1 4.24Å
435	M	96.7	Very high	95.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.7	177.4	-171.4	-179.1	-175.4	0	0	108.6	M416 C438 I443 D453 I455 C457 V460	M416-M435 HydrophobicContact SD-CE 4.42Å; M416-M435 HydrophobicContact SD-CG 4.43Å; M435-C438 HydrophobicContact CE-CB 3.48Å; M435-C438 VanDerWaalsContact CE-CB 3.48Å; M435-C438 HydrophobicContact CG-CB 3.96Å; M435-I443 HydrophobicContact SD-CG2 4.21Å; M435-D453 PolarHBondContact N-O 3.1Å; M435-I455 PolarHBondContact O-N 2.89Å; M435-C457 PolarHBondContact O-SG 3.12Å; M435-V460 HydrophobicContact CE-CB 3.63Å; M435-V460 HydrophobicContact CE-CG1 3.29Å; M435-V460 HydrophobicContact SD-CB 4.03Å; M435-V460 HydrophobicContact SD-CG1 4.14Å; M435-V460 HydrophobicContact SD-CG2 4.4Å
436	D	96.5	Very high	95.9	Very high	33 Å²	33	38.1 Å²	38.1	18%	0.176	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.1	-172	-178.2	11.8	0	0	0	111.8	Y415 M416 Y417 K418 C438 I455	Y415-D436 HydrophobicContact CE2-CB 4.16Å; Y415-D436 PolarHBondContact OH-OD2 3.08Å; M416-D436 PolarHBondContact O-N 2.93Å; Y417-D436 WeakPolarHBondContact CA-O 3.48Å; Y417-D436 HydrophobicContact CD2-CB 4.01Å; K418-D436 PolarHBondContact N-O 2.83Å; D436-C438 PolarHBondContact O-N 3.41Å; D436-C438 PolarHBondContact O-SG 3.36Å; D436-I455 WeakPolarHBondContact CA-O 3.04Å
437	A	94.7	Very high	95.7	Very high	17 Å²	17	40.1 Å²	40.1	14%	0.14	19%	0.194	C	C	.	.	S	Bend	trans	55	26	176.2	0	0	0	0	0	114.5	Y417 K418 I455 N456	Y417-A437 HydrophobicContact CD2-CB 4.29Å; Y417-A437 HydrophobicContact CE2-CB 3.92Å; K418-A437 WeakPolarHBondContact CA-O 3.25Å; K418-A437 HydrophobicContact CG-CB 3.78Å; A437-I455 PolarHBondContact N-O 3.39Å; A437-I455 VanDerWaalsContact N-O 3.15Å; A437-N456 VanDerWaalsContact CA-O 3.3Å; A437-N456 WeakPolarHBondContact CA-O 3.35Å
438	C	96	Very high	95.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.			trans	-90.9	148.6	-178.5	-69.4	0	0	0	0	111.5	C419 M435 D436 C457 E458	C419-C438 PolarHBondContact N-SG 2.65Å; C419-C438 VanDerWaalsContact N-SG 3.39Å; C419-C438 VanDerWaalsContact O-CA 3.32Å; C419-C438 WeakPolarHBondContact O-CA 3.43Å; C419-C438 WeakPolarHBondContact O-CB 3.45Å; M435-C438 HydrophobicContact CE-CB 3.48Å; M435-C438 VanDerWaalsContact CE-CB 3.48Å; M435-C438 HydrophobicContact CG-CB 3.96Å; D436-C438 PolarHBondContact O-N 3.41Å; D436-C438 PolarHBondContact O-SG 3.36Å; C438-C457 PolarHBondContact N-SG 2.93Å; C438-C457 VanDerWaalsContact N-SG 3.42Å; C438-C457 WeakPolarHBondContact O-CA 3.32Å; C438-E458 PolarHBondContact O-N 2.92Å
439	K	94	Very high	95.6	Very high	87 Å²	87	37.1 Å²	37.1	38%	0.378	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-131.3	130	-177.8	-57.5	-166.3	175.8	-145	0	112	C419 V420 N421 S441 E458	C419-K439 PolarHBondContact O-N 2.96Å; V420-K439 VanDerWaalsContact CA-O 3.28Å; V420-K439 WeakPolarHBondContact CA-O 3.26Å; V420-K439 HydrophobicContact CG1-CB 4.48Å; V420-K439 HydrophobicContact CG2-CB 4.42Å; N421-K439 PolarHBondContact N-O 3.13Å; K439-S441 PolarHBondContact O-N 2.95Å; K439-S441 VanDerWaalsContact O-N 3.11Å; K439-S441 PolarHBondContact O-OG 3.3Å; K439-E458 CarbonylContact C-O 3.59Å; K439-E458 VanDerWaalsContact CA-O 3.31Å; K439-E458 WeakPolarHBondContact CA-O 3.49Å; K439-E458 WeakPolarHBondContact CE-OE1 3.46Å; K439-E458 WeakPolarHBondContact CE-OE2 3.35Å; K439-E458 HydrophobicContact CG-CB 4.22Å; K439-E458 IonicContact NZ-OE1 3.44Å; K439-E458 PolarHBondContact NZ-OE1 3.24Å; K439-E458 IonicContact NZ-OE2 3.61Å; K439-E458 PolarHBondContact NZ-OE2 3.24Å
440	R	93.9	Very high	95.4	Very high	154 Å²	154	34.9 Å²	34.9	58%	0.581	17%	0.173	S	C	*	.	S	Bend	trans	55.6	26.1	179.8	-60.7	178.2	56.4	-166.4	-8.3	113.6	N421 E458 K459	N421-R440 VanDerWaalsContact CA-O 3.31Å; N421-R440 WeakPolarHBondContact CA-O 3.47Å; R440-E458 PolarHBondContact N-O 3.16Å; R440-K459 WeakPolarHBondContact CA-O 3.42Å; R440-K459 HydrophobicContact CG-CB 4.23Å; R440-K459 PolarHBondContact N-O 3.04Å
441	S	96.1	Very high	95.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.			trans	-107.1	155.5	-174.1	-66.5	0	0	0	0	110.4	C419 N421 C422 K439 V460 E461	C419-S441 VanDerWaalsContact C-OG 3.29Å; C419-S441 PolarHBondContact O-OG 3.5Å; N421-S441 PolarHBondContact N-OG 3.25Å; C422-S441 PolarHBondContact N-OG 3.04Å; C422-S441 CarbonylContact O-C 3.57Å; C422-S441 WeakPolarHBondContact O-CA 3.45Å; C422-S441 WeakPolarHBondContact O-CB 3.41Å; K439-S441 PolarHBondContact O-N 2.95Å; K439-S441 VanDerWaalsContact O-N 3.11Å; K439-S441 PolarHBondContact O-OG 3.3Å; S441-V460 VanDerWaalsContact O-CA 3.26Å; S441-V460 WeakPolarHBondContact O-CA 2.94Å; S441-V460 WeakPolarHBondContact O-CB 3.35Å; S441-E461 PolarHBondContact O-N 3.14Å; S441-E461 VanDerWaalsContact O-N 3.08Å
442	R	96.8	Very high	95.1	Very high	116 Å²	116	34 Å²	34	44%	0.438	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.1	-173.1	-52.1	-177.6	174.6	170	-14.9	109.9	C422 T423 L424 E461	C422-R442 PolarHBondContact O-N 2.79Å; T423-R442 CarbonylContact C-O 3.47Å; T423-R442 WeakPolarHBondContact CA-O 2.96Å; T423-R442 HydrophobicContact CG2-CB 4.19Å; L424-R442 PolarHBondContact N-O 2.99Å; R442-E461 CarbonylContact C-O 3.52Å; R442-E461 VanDerWaalsContact CA-O 3.25Å; R442-E461 WeakPolarHBondContact CA-O 3.42Å; R442-E461 HydrophobicContact CB-CB 4.27Å; R442-E461 WeakPolarHBondContact CD-OE2 3.26Å; R442-E461 HydrophobicContact CG-CB 3.88Å; R442-E461 HydrophobicContact CG-CG 4.03Å; R442-E461 IonicContact CZ-OE1 2.72Å; R442-E461 IonicContact CZ-OE2 2.82Å; R442-E461 IonicContact NE-OE1 2.61Å; R442-E461 PolarHBondContact NE-OE1 3.02Å; R442-E461 IonicContact NE-OE2 3.28Å; R442-E461 PolarHBondContact NE-OE2 3.12Å; R442-E461 IonicContact NH2-OE1 2.62Å; R442-E461 PolarHBondContact NH2-OE1 3.15Å; R442-E461 IonicContact NH2-OE2 2.78Å
443	I	97	Very high	95.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.2	171.1	63	174	0	0	0	109.5	M416 L424 I433 M435 F445 V452 E461 V462 Q463	M416-I443 HydrophobicContact SD-CG2 3.58Å; M416-I443 VanDerWaalsContact SD-CG2 3.58Å; L424-I443 HydrophobicContact CB-CG2 4.3Å; L424-I443 HydrophobicContact CD2-CG2 4.44Å; L424-I443 WeakPolarHBondContact O-CA 3.2Å; I433-I443 HydrophobicContact CG2-CD1 3.87Å; M435-I443 HydrophobicContact SD-CG2 4.21Å; I443-F445 HydrophobicContact CD1-CE1 4.37Å; I443-V452 HydrophobicContact CD1-CG1 4.03Å; I443-E461 PolarHBondContact N-O 3.2Å; I443-V462 HydrophobicContact CD1-CB 4.42Å; I443-V462 HydrophobicContact CD1-CG1 3.93Å; I443-V462 HydrophobicContact CD1-CG2 3.98Å; I443-V462 HydrophobicContact CG1-CB 4.13Å; I443-V462 HydrophobicContact CG1-CG1 3.96Å; I443-V462 HydrophobicContact CG1-CG2 3.93Å; I443-Q463 PolarHBondContact O-N 3.46Å
444	V	96.3	Very high	94.9	Very high	26 Å²	26	34.7 Å²	34.7	16%	0.158	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.9	174.1	-172.5	0	0	0	0	107.6	L424 Q425 I426 Q463 L465	L424-V444 PolarHBondContact O-N 3.08Å; Q425-V444 CarbonylContact C-O 3.49Å; Q425-V444 WeakPolarHBondContact CA-O 3.25Å; I426-V444 PolarHBondContact N-O 3.28Å; V444-Q463 WeakPolarHBondContact CA-O 3.43Å; V444-Q463 HydrophobicContact CG1-CB 4.36Å; V444-Q463 HydrophobicContact CG1-CG 4.26Å; V444-Q463 HydrophobicContact CG2-CB 4.22Å; V444-L465 HydrophobicContact CG1-CD1 4Å; V444-L465 HydrophobicContact CG1-CD2 4.35Å; V444-L465 HydrophobicContact CG1-CG 4.05Å
445	F	97.2	Very high	94.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	157.9	-178.8	61.9	-89.5	0	0	0	112.8	I426 I433 I443 L448 V452 V462 Q463 T464 L465 L468	I426-F445 HydrophobicContact CB-CB 3.92Å; I426-F445 HydrophobicContact CD1-CB 4.37Å; I426-F445 VanDerWaalsContact O-CA 3.29Å; I426-F445 WeakPolarHBondContact O-CA 3.38Å; I433-F445 HydrophobicContact CD1-CB 3.86Å; I433-F445 HydrophobicContact CD1-CD1 3.45Å; I433-F445 VanDerWaalsContact CD1-CD1 3.45Å; I433-F445 HydrophobicContact CD1-CD2 4.01Å; I433-F445 HydrophobicContact CD1-CE1 3.91Å; I433-F445 HydrophobicContact CD1-CE2 4.42Å; I433-F445 HydrophobicContact CD1-CG 3.49Å; I433-F445 VanDerWaalsContact CD1-CG 3.49Å; I433-F445 HydrophobicContact CD1-CZ 4.37Å; I443-F445 HydrophobicContact CD1-CE1 4.37Å; F445-L448 HydrophobicContact CD2-CB 4.3Å; F445-L448 HydrophobicContact CE2-CB 3.83Å; F445-L448 HydrophobicContact CE2-CD2 4.32Å; F445-L448 HydrophobicContact CZ-CD2 4.48Å; F445-V452 HydrophobicContact CE1-CG2 3.8Å; F445-V452 HydrophobicContact CE2-CG2 4.43Å; F445-V452 HydrophobicContact CZ-CG2 3.54Å; F445-V462 HydrophobicContact CE1-CG1 3.84Å; F445-Q463 WeakPolarHBondContact CD1-O 3.36Å; F445-Q463 PolarHBondContact N-O 2.89Å; F445-T464 CarbonylContact O-C 3.59Å; F445-T464 WeakPolarHBondContact O-CA 3.33Å; F445-L465 PolarHBondContact O-N 2.97Å; F445-L468 HydrophobicContact CE2-CD1 4.36Å; F445-L468 HydrophobicContact CZ-CD1 4.08Å; F445-L468 HydrophobicContact CZ-CD2 4.13Å; F445-L468 HydrophobicContact CZ-CG 4.49Å
446	D	95	Very high	94.6	Very high	50 Å²	50	39.3 Å²	39.3	27%	0.267	20%	0.195	S	C	.	.	S	Bend	trans	-76.8	-97.2	177.6	-64.4	-28.1	0	0	0	111.3	I426 K427 G428 T464 L465 G466	I426-D446 PolarHBondContact O-N 3.3Å; K427-D446 WeakPolarHBondContact CA-OD2 3.38Å; G428-D446 PolarHBondContact N-OD2 2.95Å; D446-T464 PolarHBondContact O-OG1 3.05Å; D446-L465 WeakPolarHBondContact OD1-CD1 3.33Å; D446-G466 CarbonylContact O-C 3.46Å; D446-G466 WeakPolarHBondContact O-CA 3.49Å; D446-G466 PolarHBondContact O-N 3.3Å
447	D	93.3	Very high	94.5	Very high	45 Å²	45	37.8 Å²	37.8	24%	0.241	19%	0.187	C	C	.	.			trans	-110.2	137.8	-176.4	-71.8	-42.5	0	0	0	111.8	K429 L430 G466 T467	K429-D447 WeakPolarHBondContact CA-O 3.43Å; K429-D447 HydrophobicContact CB-CB 3.97Å; K429-D447 HydrophobicContact CD-CB 4.34Å; K429-D447 HydrophobicContact CG-CB 3.68Å; K429-D447 VanDerWaalsContact NZ-CB 3.34Å; K429-D447 IonicContact NZ-OD2 2.77Å; K429-D447 PolarHBondContact NZ-OD2 3.01Å; L430-D447 WeakPolarHBondContact CD2-O 3.39Å; L430-D447 PolarHBondContact N-O 3.16Å; L430-D447 VanDerWaalsContact N-O 3.1Å; D447-G466 VanDerWaalsContact OD1-CA 3.24Å; D447-G466 WeakPolarHBondContact OD1-CA 3.09Å; D447-T467 PolarHBondContact OD1-N 3.14Å; D447-T467 PolarHBondContact OD1-OG1 3.25Å
448	L	93.8	Very high	94.3	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-118.4	141.8	174.4	-159.2	70.5	0	0	0	111.9	L430 I433 F445 T451 V452 T467 L468 P469	L430-L448 HydrophobicContact CD1-CD1 4.46Å; L430-L448 HydrophobicContact CD2-CD1 3.47Å; L430-L448 VanDerWaalsContact CD2-CD1 3.47Å; L430-L448 HydrophobicContact CG-CD1 3.61Å; I433-L448 HydrophobicContact CD1-CD1 3.96Å; I433-L448 HydrophobicContact CG1-CD1 3.87Å; F445-L448 HydrophobicContact CD2-CB 4.3Å; F445-L448 HydrophobicContact CE2-CB 3.83Å; F445-L448 HydrophobicContact CE2-CD2 4.32Å; F445-L448 HydrophobicContact CZ-CD2 4.48Å; L448-T451 WeakPolarHBondContact CD2-O 3.28Å; L448-V452 HydrophobicContact CD2-CB 4.33Å; L448-V452 HydrophobicContact CD2-CG2 3.3Å; L448-T467 PolarHBondContact N-O 3.36Å; L448-L468 HydrophobicContact CB-CD1 4.22Å; L448-L468 HydrophobicContact CD2-CD1 3.47Å; L448-L468 VanDerWaalsContact CD2-CD1 3.47Å; L448-L468 HydrophobicContact CG-CD1 4.47Å; L448-P469 VanDerWaalsContact O-CD 3.28Å; L448-P469 WeakPolarHBondContact O-CD 3.33Å
449	V	92.8	Very high	94.1	Very high	60 Å²	60	47.9 Å²	47.9	36%	0.364	23%	0.229	S	C	.	.	S	Bend	trans	-90.2	-36.9	-177.6	-178.6	0	0	0	0	112.7	M410 K429 L430 N431	M410-V449 HydrophobicContact CE-CB 4.3Å; M410-V449 HydrophobicContact CE-CG1 4.09Å; M410-V449 HydrophobicContact CE-CG2 3.18Å; M410-V449 HydrophobicContact CG-CG2 3.78Å; M410-V449 HydrophobicContact SD-CG2 4.26Å; K429-V449 HydrophobicContact CD-CG2 4.34Å; K429-V449 HydrophobicContact CG-CG2 4.22Å; L430-V449 WeakPolarHBondContact O-CG2 3.49Å; L430-V449 PolarHBondContact O-N 2.78Å; N431-V449 PolarHBondContact O-N 3.48Å
450	S	89.8	Confident	94.1	Very high	36 Å²	36	43.8 Å²	43.8	25%	0.252	21%	0.211	S	C	.	.	S	Bend	trans	-120.5	-105.1	-175.2	62.6	0	0	0	0	110.8	N431 S432 P469	N431-S450 PolarHBondContact O-N 3.47Å; N431-S450 PolarHBondContact O-OG 3.4Å; N431-S450 PolarHBondContact OD1-OG 3.29Å; S432-S450 WeakPolarHBondContact CB-OG 3.41Å; S450-P469 WeakPolarHBondContact O-CD 3.46Å
451	T	90.7	Very high	94.1	Very high	39 Å²	39	38.6 Å²	38.6	24%	0.239	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.7	-167	67.8	0	0	0	0	113.1	S432 I433 L448 D453 T470	S432-T451 WeakPolarHBondContact CA-O 3.32Å; S432-T451 WeakPolarHBondContact CB-O 3.42Å; I433-T451 PolarHBondContact N-O 3.03Å; I433-T451 VanDerWaalsContact N-O 3.14Å; L448-T451 WeakPolarHBondContact CD2-O 3.28Å; T451-D453 PolarHBondContact OG1-OD1 3.37Å; T451-D453 PolarHBondContact OG1-OD2 3Å; T451-T470 VanDerWaalsContact CA-O 3.27Å; T451-T470 WeakPolarHBondContact CA-O 3.47Å; T451-T470 HydrophobicContact CG2-CG2 4.36Å
452	V	95	Very high	94.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.2	157.2	178.9	0	0	0	0	108.2	I433 I443 F445 L448 V454 V462 L468 T470 I471 T472	I433-V452 HydrophobicContact CB-CG2 4.32Å; I433-V452 HydrophobicContact CD1-CG2 4.46Å; I433-V452 CarbonylContact O-C 3.53Å; I433-V452 VanDerWaalsContact O-CA 3.29Å; I433-V452 WeakPolarHBondContact O-CA 3.38Å; I443-V452 HydrophobicContact CD1-CG1 4.03Å; F445-V452 HydrophobicContact CE1-CG2 3.8Å; F445-V452 HydrophobicContact CE2-CG2 4.43Å; F445-V452 HydrophobicContact CZ-CG2 3.54Å; L448-V452 HydrophobicContact CD2-CB 4.33Å; L448-V452 HydrophobicContact CD2-CG2 3.3Å; V452-V454 HydrophobicContact CG1-CG2 4.04Å; V452-V462 HydrophobicContact CG1-CG1 4.26Å; V452-L468 HydrophobicContact CB-CD1 4.4Å; V452-L468 HydrophobicContact CG2-CD1 3.64Å; V452-T470 PolarHBondContact N-O 3.05Å; V452-I471 HydrophobicContact CB-CB 4.37Å; V452-I471 HydrophobicContact CB-CD1 4.29Å; V452-I471 HydrophobicContact CB-CG1 3.99Å; V452-I471 HydrophobicContact CG1-CD1 4.23Å; V452-I471 HydrophobicContact CG1-CG1 4.26Å; V452-I471 CarbonylContact O-C 3.57Å; V452-I471 VanDerWaalsContact O-CA 3.31Å; V452-I471 WeakPolarHBondContact O-CA 3.43Å; V452-I471 WeakPolarHBondContact O-CG1 3.37Å; V452-T472 PolarHBondContact O-N 3.08Å
453	D	95.5	Very high	93.9	Very high	37 Å²	37	35.6 Å²	35.6	20%	0.198	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.2	175.8	-58	-38.9	0	0	0	110.2	I433 T434 M435 T451 I455 T472	I433-D453 PolarHBondContact O-N 3.49Å; T434-D453 CarbonylContact C-O 3.54Å; T434-D453 WeakPolarHBondContact CA-O 3.26Å; T434-D453 HydrophobicContact CG2-CB 4.23Å; M435-D453 PolarHBondContact N-O 3.1Å; T451-D453 PolarHBondContact OG1-OD1 3.37Å; T451-D453 PolarHBondContact OG1-OD2 3Å; D453-I455 HydrophobicContact CB-CD1 4.25Å; D453-I455 HydrophobicContact CB-CG1 4.36Å; D453-T472 WeakPolarHBondContact OD1-CG2 3.5Å; D453-T472 PolarHBondContact OD1-OG1 3.06Å
454	V	94.7	Very high	93.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	109.7	176.9	-173.9	0	0	0	0	108.4	V452 C457 V460 V462 I471 T472 I473 Q474 T476	V452-V454 HydrophobicContact CG1-CG2 4.04Å; V454-C457 HydrophobicContact CG1-CB 3.9Å; V454-V460 HydrophobicContact CG1-CG2 3.79Å; V454-V462 HydrophobicContact CG2-CG2 3.9Å; V454-I471 HydrophobicContact CG2-CD1 4.33Å; V454-T472 PolarHBondContact N-O 2.95Å; V454-I473 HydrophobicContact CB-CG1 4.47Å; V454-I473 HydrophobicContact CB-CG2 4.38Å; V454-I473 CarbonylContact O-C 3.41Å; V454-I473 WeakPolarHBondContact O-CA 3.34Å; V454-Q474 PolarHBondContact O-N 2.97Å; V454-T476 HydrophobicContact CG1-CG2 3.86Å; V454-T476 PolarHBondContact O-OG1 2.92Å
455	I	94.3	Very high	93.5	Very high	54 Å²	54	38.9 Å²	38.9	28%	0.277	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.9	-169.4	-53.3	174.7	0	0	0	109.6	T434 M435 D436 A437 D453 C457 Q474	T434-I455 HydrophobicContact CG2-CD1 4.24Å; M435-I455 PolarHBondContact O-N 2.89Å; D436-I455 WeakPolarHBondContact CA-O 3.04Å; A437-I455 PolarHBondContact N-O 3.39Å; A437-I455 VanDerWaalsContact N-O 3.15Å; D453-I455 HydrophobicContact CB-CD1 4.25Å; D453-I455 HydrophobicContact CB-CG1 4.36Å; I455-C457 PolarHBondContact O-N 3.44Å; I455-C457 VanDerWaalsContact O-N 3.1Å; I455-C457 PolarHBondContact O-SG 3.42Å; I455-Q474 WeakPolarHBondContact CA-O 3.29Å
456	N	93.2	Very high	93.2	Very high	69 Å²	69	39.2 Å²	39.2	37%	0.369	20%	0.204	S	C	.	.	S	Bend	trans	54.5	36	170.4	-168.6	57.5	0	0	0	113.7	A437 Q474 K475 T476	A437-N456 VanDerWaalsContact CA-O 3.3Å; A437-N456 WeakPolarHBondContact CA-O 3.35Å; N456-Q474 PolarHBondContact N-O 3.28Å; N456-K475 WeakPolarHBondContact CA-O 3.38Å; N456-K475 HydrophobicContact CB-CD 4.5Å; N456-K475 PolarHBondContact N-O 2.96Å; N456-T476 PolarHBondContact N-OG1 3.2Å
457	C	93.7	Very high	92.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.007	21%	0.207	C	C	.	.			trans	-103.4	162.2	-174.8	-76.1	0	0	0	0	112.6	M435 C438 V454 I455 V460 T476 D477	M435-C457 PolarHBondContact O-SG 3.12Å; C438-C457 PolarHBondContact N-SG 2.93Å; C438-C457 VanDerWaalsContact N-SG 3.42Å; C438-C457 WeakPolarHBondContact O-CA 3.32Å; V454-C457 HydrophobicContact CG1-CB 3.9Å; I455-C457 PolarHBondContact O-N 3.44Å; I455-C457 VanDerWaalsContact O-N 3.1Å; I455-C457 PolarHBondContact O-SG 3.42Å; C457-V460 HydrophobicContact CB-CB 4.45Å; C457-V460 HydrophobicContact CB-CG1 3.71Å; C457-V460 HydrophobicContact CB-CG2 3.89Å; C457-T476 HydrophobicContact CB-CG2 3.77Å; C457-T476 PolarHBondContact N-OG1 3.21Å; C457-T476 VanDerWaalsContact N-OG1 3.16Å; C457-T476 VanDerWaalsContact O-CA 3.3Å; C457-T476 WeakPolarHBondContact O-CA 3.39Å; C457-T476 WeakPolarHBondContact O-CG2 3.43Å; C457-D477 PolarHBondContact O-N 3.42Å
458	E	91.4	Very high	92.6	Very high	86 Å²	86	37.3 Å²	37.3	40%	0.402	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	125.8	176.6	-67.3	169	-148.3	0	0	111.5	C438 K439 R440 D477	C438-E458 PolarHBondContact O-N 2.92Å; K439-E458 CarbonylContact C-O 3.59Å; K439-E458 VanDerWaalsContact CA-O 3.31Å; K439-E458 WeakPolarHBondContact CA-O 3.49Å; K439-E458 WeakPolarHBondContact CE-OE1 3.46Å; K439-E458 WeakPolarHBondContact CE-OE2 3.35Å; K439-E458 HydrophobicContact CG-CB 4.22Å; K439-E458 IonicContact NZ-OE1 3.44Å; K439-E458 PolarHBondContact NZ-OE1 3.24Å; K439-E458 IonicContact NZ-OE2 3.61Å; K439-E458 PolarHBondContact NZ-OE2 3.24Å; R440-E458 PolarHBondContact N-O 3.16Å; E458-D477 CarbonylContact C-O 3.59Å; E458-D477 VanDerWaalsContact CA-O 3.3Å; E458-D477 WeakPolarHBondContact CA-O 3.41Å
459	K	91	Very high	92	Very high	144 Å²	144	39.6 Å²	39.6	63%	0.626	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	53	55.4	177.7	-59.3	-177.6	178	-177.2	0	113	R440 D477 G478	R440-K459 WeakPolarHBondContact CA-O 3.42Å; R440-K459 HydrophobicContact CG-CB 4.23Å; R440-K459 PolarHBondContact N-O 3.04Å; K459-D477 PolarHBondContact N-O 3.35Å; K459-G478 CarbonylContact C-O 3.6Å; K459-G478 VanDerWaalsContact CA-O 3.28Å; K459-G478 WeakPolarHBondContact CA-O 3.17Å; K459-G478 PolarHBondContact N-O 3.15Å; K459-G478 VanDerWaalsContact N-O 3.13Å
460	V	95	Very high	91.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	156.1	-176.7	-64.1	0	0	0	0	112	M435 S441 V454 C457 T476 G478 C479 L480	M435-V460 HydrophobicContact CE-CB 3.63Å; M435-V460 HydrophobicContact CE-CG1 3.29Å; M435-V460 HydrophobicContact SD-CB 4.03Å; M435-V460 HydrophobicContact SD-CG1 4.14Å; M435-V460 HydrophobicContact SD-CG2 4.4Å; S441-V460 VanDerWaalsContact O-CA 3.26Å; S441-V460 WeakPolarHBondContact O-CA 2.94Å; S441-V460 WeakPolarHBondContact O-CB 3.35Å; V454-V460 HydrophobicContact CG1-CG2 3.79Å; C457-V460 HydrophobicContact CB-CB 4.45Å; C457-V460 HydrophobicContact CB-CG1 3.71Å; C457-V460 HydrophobicContact CB-CG2 3.89Å; V460-T476 HydrophobicContact CG2-CG2 4.05Å; V460-G478 PolarHBondContact N-O 3.47Å; V460-C479 HydrophobicContact CG2-CB 4.21Å; V460-C479 CarbonylContact O-C 3.53Å; V460-C479 WeakPolarHBondContact O-CA 3.48Å; V460-L480 PolarHBondContact O-N 2.92Å
461	E	94.2	Very high	91.3	Very high	44 Å²	44	36.5 Å²	36.5	21%	0.206	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.3	177	-46.9	177.4	-159	0	0	109.9	S441 R442 I443 L480 Y482	S441-E461 PolarHBondContact O-N 3.14Å; S441-E461 VanDerWaalsContact O-N 3.08Å; R442-E461 CarbonylContact C-O 3.52Å; R442-E461 VanDerWaalsContact CA-O 3.25Å; R442-E461 WeakPolarHBondContact CA-O 3.42Å; R442-E461 HydrophobicContact CB-CB 4.27Å; R442-E461 WeakPolarHBondContact CD-OE2 3.26Å; R442-E461 HydrophobicContact CG-CB 3.88Å; R442-E461 HydrophobicContact CG-CG 4.03Å; R442-E461 IonicContact CZ-OE1 2.72Å; R442-E461 IonicContact CZ-OE2 2.82Å; R442-E461 IonicContact NE-OE1 2.61Å; R442-E461 PolarHBondContact NE-OE1 3.02Å; R442-E461 IonicContact NE-OE2 3.28Å; R442-E461 PolarHBondContact NE-OE2 3.12Å; R442-E461 IonicContact NH2-OE1 2.62Å; R442-E461 PolarHBondContact NH2-OE1 3.15Å; R442-E461 IonicContact NH2-OE2 2.78Å; I443-E461 PolarHBondContact N-O 3.2Å; E461-L480 CarbonylContact C-O 3.58Å; E461-L480 VanDerWaalsContact CA-O 3.28Å; E461-L480 WeakPolarHBondContact CA-O 3.34Å; E461-L480 HydrophobicContact CB-CB 4.2Å; E461-L480 HydrophobicContact CG-CB 3.91Å; E461-L480 HydrophobicContact CG-CD2 4.24Å; E461-Y482 HydrophobicContact CB-CE2 4.32Å
462	V	94.5	Very high	91	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.4	179.5	179.6	0	0	0	0	107.5	I443 F445 V452 V454 I471 L480 L481 Y482	I443-V462 HydrophobicContact CD1-CB 4.42Å; I443-V462 HydrophobicContact CD1-CG1 3.93Å; I443-V462 HydrophobicContact CD1-CG2 3.98Å; I443-V462 HydrophobicContact CG1-CB 4.13Å; I443-V462 HydrophobicContact CG1-CG1 3.96Å; I443-V462 HydrophobicContact CG1-CG2 3.93Å; F445-V462 HydrophobicContact CE1-CG1 3.84Å; V452-V462 HydrophobicContact CG1-CG1 4.26Å; V454-V462 HydrophobicContact CG2-CG2 3.9Å; V462-I471 HydrophobicContact CB-CD1 4.38Å; V462-I471 HydrophobicContact CG1-CD1 4.08Å; V462-I471 HydrophobicContact CG2-CD1 4.37Å; V462-L480 PolarHBondContact N-O 3.35Å; V462-L481 HydrophobicContact CB-CD1 3.93Å; V462-L481 HydrophobicContact CG1-CD1 3.8Å; V462-L481 CarbonylContact O-C 3.38Å; V462-L481 WeakPolarHBondContact O-CA 3.46Å; V462-Y482 PolarHBondContact O-N 2.96Å
463	Q	92.6	Very high	90.5	Very high	53 Å²	53	35.8 Å²	35.8	25%	0.248	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.5	178	-179.9	174.8	8.1	0	0	110.5	I443 V444 F445 L465 Y482	I443-Q463 PolarHBondContact O-N 3.46Å; V444-Q463 WeakPolarHBondContact CA-O 3.43Å; V444-Q463 HydrophobicContact CG1-CB 4.36Å; V444-Q463 HydrophobicContact CG1-CG 4.26Å; V444-Q463 HydrophobicContact CG2-CB 4.22Å; F445-Q463 WeakPolarHBondContact CD1-O 3.36Å; F445-Q463 PolarHBondContact N-O 2.89Å; Q463-L465 HydrophobicContact CG-CD2 4.47Å; Q463-Y482 WeakPolarHBondContact CA-O 3.37Å; Q463-Y482 HydrophobicContact CB-CD2 4.34Å; Q463-Y482 HydrophobicContact CB-CG 4.47Å
464	T	92.7	Very high	89.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.9	168.8	-178.6	0	0	0	0	109.9	F445 D446 G466 L468 Y482 L483 S484 A487	F445-T464 CarbonylContact O-C 3.59Å; F445-T464 WeakPolarHBondContact O-CA 3.33Å; D446-T464 PolarHBondContact O-OG1 3.05Å; T464-G466 PolarHBondContact OG1-N 3.05Å; T464-G466 PolarHBondContact OG1-O 3.29Å; T464-L468 HydrophobicContact CG2-CB 4.02Å; T464-L468 HydrophobicContact CG2-CD2 4.23Å; T464-Y482 PolarHBondContact N-O 2.64Å; T464-L483 HydrophobicContact CG2-CD2 4.24Å; T464-S484 WeakPolarHBondContact O-CB 3.41Å; T464-A487 HydrophobicContact CG2-CB 3.72Å
465	L	92.2	Very high	89.4	Confident	95 Å²	95	43.2 Å²	43.2	50%	0.497	22%	0.218	S	C	.	.	S	Bend	trans	-96.6	-22.4	171.8	-57.4	176.5	0	0	0	111.2	V444 F445 D446 Q463 S484	V444-L465 HydrophobicContact CG1-CD1 4Å; V444-L465 HydrophobicContact CG1-CD2 4.35Å; V444-L465 HydrophobicContact CG1-CG 4.05Å; F445-L465 PolarHBondContact O-N 2.97Å; D446-L465 WeakPolarHBondContact OD1-CD1 3.33Å; Q463-L465 HydrophobicContact CG-CD2 4.47Å; L465-S484 WeakPolarHBondContact O-CB 3.47Å
466	G	91.2	Very high	88.8	Confident	8 Å²	8	40.6 Å²	40.6	8%	0.082	21%	0.205	C	C	.	.	S	Bend	trans	-124.2	-143	-177.8	0	0	0	0	0	112.2	D446 D447 T464 S484	D446-G466 CarbonylContact O-C 3.46Å; D446-G466 WeakPolarHBondContact O-CA 3.49Å; D446-G466 PolarHBondContact O-N 3.3Å; D447-G466 VanDerWaalsContact OD1-CA 3.24Å; D447-G466 WeakPolarHBondContact OD1-CA 3.09Å; T464-G466 PolarHBondContact OG1-N 3.05Å; T464-G466 PolarHBondContact OG1-O 3.29Å; G466-S484 PolarHBondContact O-OG 3.15Å
467	T	88.3	Confident	88.4	Confident	52 Å²	52	41.3 Å²	41.3	32%	0.319	21%	0.208	S	C	.	.			trans	-77.9	139.7	-176.7	60.6	0	0	0	0	112.1	D447 L448	D447-T467 PolarHBondContact OD1-N 3.14Å; D447-T467 PolarHBondContact OD1-OG1 3.25Å; L448-T467 PolarHBondContact N-O 3.36Å
468	L	87.1	Confident	87.8	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	21%	0.212	C	C	.	.			trans	-139.8	105.8	171.8	171.7	60.6	0	0	0	108.6	F445 L448 V452 T464 T470 I471 L481 L483 A487 C490	F445-L468 HydrophobicContact CE2-CD1 4.36Å; F445-L468 HydrophobicContact CZ-CD1 4.08Å; F445-L468 HydrophobicContact CZ-CD2 4.13Å; F445-L468 HydrophobicContact CZ-CG 4.49Å; L448-L468 HydrophobicContact CB-CD1 4.22Å; L448-L468 HydrophobicContact CD2-CD1 3.47Å; L448-L468 VanDerWaalsContact CD2-CD1 3.47Å; L448-L468 HydrophobicContact CG-CD1 4.47Å; V452-L468 HydrophobicContact CB-CD1 4.4Å; V452-L468 HydrophobicContact CG2-CD1 3.64Å; T464-L468 HydrophobicContact CG2-CB 4.02Å; T464-L468 HydrophobicContact CG2-CD2 4.23Å; L468-T470 WeakPolarHBondContact CD1-O 3.35Å; L468-I471 HydrophobicContact CD2-CB 4.4Å; L468-L481 HydrophobicContact CD2-CD1 4.25Å; L468-L483 HydrophobicContact CD2-CD2 4.24Å; L468-A487 HydrophobicContact CB-CB 3.9Å; L468-C490 WeakPolarHBondContact O-CA 3.42Å; L468-C490 WeakPolarHBondContact O-CB 3.5Å
469	P	82.6	Confident	87.4	Confident	51 Å²	51	37.7 Å²	37.7	33%	0.331	19%	0.194	S	C	.	.			trans	-71.6	-45.5	-177.3	-23.6	35.1	0	0	0	113.7	L448 S450 C490 E491	L448-P469 VanDerWaalsContact O-CD 3.28Å; L448-P469 WeakPolarHBondContact O-CD 3.33Å; S450-P469 WeakPolarHBondContact O-CD 3.46Å; P469-C490 WeakPolarHBondContact O-CA 3.39Å; P469-E491 PolarHBondContact O-N 2.97Å
470	T	83.5	Confident	87.2	Confident	30 Å²	30	32.6 Å²	32.6	18%	0.184	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	142.4	-176.5	-50.4	0	0	0	0	111.1	T451 V452 L468 T472 E491 V493	T451-T470 VanDerWaalsContact CA-O 3.27Å; T451-T470 WeakPolarHBondContact CA-O 3.47Å; T451-T470 HydrophobicContact CG2-CG2 4.36Å; V452-T470 PolarHBondContact N-O 3.05Å; L468-T470 WeakPolarHBondContact CD1-O 3.35Å; T470-T472 HydrophobicContact CG2-CG2 4.42Å; T470-E491 CarbonylContact C-O 3.54Å; T470-E491 VanDerWaalsContact CA-O 3.29Å; T470-E491 WeakPolarHBondContact CA-O 3.43Å; T470-E491 HydrophobicContact CG2-CB 4.18Å; T470-E491 HydrophobicContact CG2-CG 4.48Å; T470-V493 HydrophobicContact CG2-CG2 4.34Å
471	I	85	Confident	86.9	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.6	168.2	-178.1	168.5	0	0	0	109.8	V452 V454 V462 L468 I473 L481 E491 V492 V493	V452-I471 HydrophobicContact CB-CB 4.37Å; V452-I471 HydrophobicContact CB-CD1 4.29Å; V452-I471 HydrophobicContact CB-CG1 3.99Å; V452-I471 HydrophobicContact CG1-CD1 4.23Å; V452-I471 HydrophobicContact CG1-CG1 4.26Å; V452-I471 CarbonylContact O-C 3.57Å; V452-I471 VanDerWaalsContact O-CA 3.31Å; V452-I471 WeakPolarHBondContact O-CA 3.43Å; V452-I471 WeakPolarHBondContact O-CG1 3.37Å; V454-I471 HydrophobicContact CG2-CD1 4.33Å; V462-I471 HydrophobicContact CB-CD1 4.38Å; V462-I471 HydrophobicContact CG1-CD1 4.08Å; V462-I471 HydrophobicContact CG2-CD1 4.37Å; L468-I471 HydrophobicContact CD2-CB 4.4Å; I471-I473 HydrophobicContact CD1-CD1 4.36Å; I471-I473 HydrophobicContact CD1-CG1 4.27Å; I471-I473 HydrophobicContact CG1-CG1 4.04Å; I471-L481 HydrophobicContact CD1-CD1 3.78Å; I471-L481 HydrophobicContact CD1-CD2 4.19Å; I471-L481 HydrophobicContact CD1-CG 4.49Å; I471-L481 HydrophobicContact CG2-CD2 3.8Å; I471-E491 PolarHBondContact N-O 2.92Å; I471-V492 HydrophobicContact CG2-CB 4.16Å; I471-V492 HydrophobicContact CG2-CG1 4.13Å; I471-V492 HydrophobicContact CG2-CG2 3.75Å; I471-V493 PolarHBondContact O-N 3.18Å
472	T	83.7	Confident	86.5	Confident	21 Å²	21	32.8 Å²	32.8	13%	0.129	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.8	173.3	82	0	0	0	0	110	V452 D453 V454 T470 V493	V452-T472 PolarHBondContact O-N 3.08Å; D453-T472 WeakPolarHBondContact OD1-CG2 3.5Å; D453-T472 PolarHBondContact OD1-OG1 3.06Å; V454-T472 PolarHBondContact N-O 2.95Å; T470-T472 HydrophobicContact CG2-CG2 4.42Å; T472-V493 CarbonylContact C-O 3.56Å; T472-V493 VanDerWaalsContact CA-O 3.22Å; T472-V493 WeakPolarHBondContact CA-O 3.44Å; T472-V493 HydrophobicContact CG2-CB 4.31Å
473	I	84.6	Confident	86	Confident	4 Å²	4	33.1 Å²	33.1	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	104.7	-178.5	-51.5	173.5	0	0	0	108.8	V454 I471 T476 C479 V492 V493 S494 S495 S497 M500	V454-I473 HydrophobicContact CB-CG1 4.47Å; V454-I473 HydrophobicContact CB-CG2 4.38Å; V454-I473 CarbonylContact O-C 3.41Å; V454-I473 WeakPolarHBondContact O-CA 3.34Å; I471-I473 HydrophobicContact CD1-CD1 4.36Å; I471-I473 HydrophobicContact CD1-CG1 4.27Å; I471-I473 HydrophobicContact CG1-CG1 4.04Å; I473-T476 HydrophobicContact CG2-CG2 4.13Å; I473-C479 HydrophobicContact CD1-CB 4.31Å; I473-C479 HydrophobicContact CG2-CB 4.18Å; I473-V492 HydrophobicContact CD1-CG1 4.43Å; I473-V493 PolarHBondContact N-O 3.42Å; I473-S494 CarbonylContact O-C 3.54Å; I473-S494 VanDerWaalsContact O-CA 3.28Å; I473-S494 WeakPolarHBondContact O-CA 3.36Å; I473-S494 PolarHBondContact O-OG 3.41Å; I473-S495 PolarHBondContact O-N 3.23Å; I473-S497 VanDerWaalsContact C-OG 3.32Å; I473-S497 PolarHBondContact O-OG 3.45Å; I473-M500 HydrophobicContact CB-SD 3.91Å; I473-M500 HydrophobicContact CD1-CG 4.5Å; I473-M500 HydrophobicContact CD1-SD 3.78Å; I473-M500 HydrophobicContact CG1-SD 4.45Å; I473-M500 HydrophobicContact CG2-CG 4.4Å; I473-M500 HydrophobicContact CG2-SD 3.72Å
474	Q	82.3	Confident	85.5	Confident	81 Å²	81	31 Å²	31	38%	0.379	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.6	-173	-54.6	-166.5	-10	0	0	111.2	V454 I455 N456 T476 S495	V454-Q474 PolarHBondContact O-N 2.97Å; I455-Q474 WeakPolarHBondContact CA-O 3.29Å; N456-Q474 PolarHBondContact N-O 3.28Å; Q474-T476 PolarHBondContact O-N 3.42Å; Q474-T476 PolarHBondContact O-OG1 2.9Å; Q474-S495 CarbonylContact C-O 3.57Å; Q474-S495 VanDerWaalsContact CA-O 3.3Å; Q474-S495 WeakPolarHBondContact CA-O 3.49Å; Q474-S495 WeakPolarHBondContact CG-OG 3.48Å
475	K	84	Confident	84.9	Confident	111 Å²	111	38.4 Å²	38.4	48%	0.483	19%	0.193	S	C	.	.	S	Bend	trans	51.1	36.3	173.7	-161.3	-177.5	174.4	-179.8	0	112.7	N456 S495 R496 S497	N456-K475 WeakPolarHBondContact CA-O 3.38Å; N456-K475 HydrophobicContact CB-CD 4.5Å; N456-K475 PolarHBondContact N-O 2.96Å; K475-S495 PolarHBondContact N-O 2.91Å; K475-R496 VanDerWaalsContact CA-O 3.26Å; K475-R496 WeakPolarHBondContact CA-O 3.5Å; K475-S497 PolarHBondContact N-OG 3.03Å
476	T	82.5	Confident	84.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.			trans	-119.1	130.9	-171.6	-68.8	0	0	0	0	110.9	V454 N456 C457 V460 I473 Q474 C479 S497 S498	V454-T476 HydrophobicContact CG1-CG2 3.86Å; V454-T476 PolarHBondContact O-OG1 2.92Å; N456-T476 PolarHBondContact N-OG1 3.2Å; C457-T476 HydrophobicContact CB-CG2 3.77Å; C457-T476 PolarHBondContact N-OG1 3.21Å; C457-T476 VanDerWaalsContact N-OG1 3.16Å; C457-T476 VanDerWaalsContact O-CA 3.3Å; C457-T476 WeakPolarHBondContact O-CA 3.39Å; C457-T476 WeakPolarHBondContact O-CG2 3.43Å; V460-T476 HydrophobicContact CG2-CG2 4.05Å; I473-T476 HydrophobicContact CG2-CG2 4.13Å; Q474-T476 PolarHBondContact O-N 3.42Å; Q474-T476 PolarHBondContact O-OG1 2.9Å; T476-C479 HydrophobicContact CG2-CB 4.07Å; T476-S497 PolarHBondContact N-OG 2.93Å; T476-S497 VanDerWaalsContact N-OG 3.09Å; T476-S497 CarbonylContact O-C 3.11Å; T476-S497 WeakPolarHBondContact O-CA 3.39Å; T476-S497 WeakPolarHBondContact O-CB 3.5Å; T476-S498 PolarHBondContact O-N 3.07Å
477	D	84.5	Confident	83.7	Confident	84 Å²	84	36.9 Å²	36.9	45%	0.449	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	103.5	-178.6	-69.7	-34.8	0	0	0	110.2	C457 E458 K459 S498	C457-D477 PolarHBondContact O-N 3.42Å; E458-D477 CarbonylContact C-O 3.59Å; E458-D477 VanDerWaalsContact CA-O 3.3Å; E458-D477 WeakPolarHBondContact CA-O 3.41Å; K459-D477 PolarHBondContact N-O 3.35Å; D477-S498 PolarHBondContact OD1-OG 3.41Å
478	G	81	Confident	83.1	Confident	8 Å²	8	36.5 Å²	36.5	8%	0.082	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.6	100.6	-174.1	0	0	0	0	0	111.8	K459 V460 S498	K459-G478 CarbonylContact C-O 3.6Å; K459-G478 VanDerWaalsContact CA-O 3.28Å; K459-G478 WeakPolarHBondContact CA-O 3.17Å; K459-G478 PolarHBondContact N-O 3.15Å; K459-G478 VanDerWaalsContact N-O 3.13Å; V460-G478 PolarHBondContact N-O 3.47Å; G478-S498 PolarHBondContact N-O 3.3Å
479	C	83.8	Confident	82.6	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.02	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	119.3	173.9	-175.6	0	0	0	0	110.3	V460 I473 T476 E499 M500 N501	V460-C479 HydrophobicContact CG2-CB 4.21Å; V460-C479 CarbonylContact O-C 3.53Å; V460-C479 WeakPolarHBondContact O-CA 3.48Å; I473-C479 HydrophobicContact CD1-CB 4.31Å; I473-C479 HydrophobicContact CG2-CB 4.18Å; T476-C479 HydrophobicContact CG2-CB 4.07Å; C479-E499 PolarHBondContact N-O 3.46Å; C479-M500 HydrophobicContact CB-CG 4.3Å; C479-M500 CarbonylContact O-C 3.52Å; C479-M500 WeakPolarHBondContact O-CA 3.42Å; C479-N501 PolarHBondContact O-N 3.32Å
480	L	86.8	Confident	82.1	Confident	36 Å²	36	40.2 Å²	40.2	19%	0.188	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	107.2	179.5	-162.6	62.3	0	0	0	109.8	V460 E461 V462 Y482 N501 L503	V460-L480 PolarHBondContact O-N 2.92Å; E461-L480 CarbonylContact C-O 3.58Å; E461-L480 VanDerWaalsContact CA-O 3.28Å; E461-L480 WeakPolarHBondContact CA-O 3.34Å; E461-L480 HydrophobicContact CB-CB 4.2Å; E461-L480 HydrophobicContact CG-CB 3.91Å; E461-L480 HydrophobicContact CG-CD2 4.24Å; V462-L480 PolarHBondContact N-O 3.35Å; L480-Y482 HydrophobicContact CB-CE2 4.28Å; L480-Y482 HydrophobicContact CD2-CE2 3.59Å; L480-Y482 WeakPolarHBondContact CD2-OH 3.47Å; L480-Y482 HydrophobicContact CG-CD2 4.37Å; L480-Y482 HydrophobicContact CG-CE2 3.63Å; L480-N501 HydrophobicContact CD1-CB 3.42Å; L480-N501 VanDerWaalsContact CD1-CB 3.42Å; L480-L503 HydrophobicContact CD1-CD1 3.15Å; L480-L503 HydrophobicContact CD2-CD1 4.42Å; L480-L503 HydrophobicContact CG-CD1 3.61Å
481	L	87.8	Confident	81.8	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118	-179.8	177.3	61.9	0	0	0	110.7	V462 L468 I471 L483 V492 N501 V502 L503	V462-L481 HydrophobicContact CB-CD1 3.93Å; V462-L481 HydrophobicContact CG1-CD1 3.8Å; V462-L481 CarbonylContact O-C 3.38Å; V462-L481 WeakPolarHBondContact O-CA 3.46Å; L468-L481 HydrophobicContact CD2-CD1 4.25Å; I471-L481 HydrophobicContact CD1-CD1 3.78Å; I471-L481 HydrophobicContact CD1-CD2 4.19Å; I471-L481 HydrophobicContact CD1-CG 4.49Å; I471-L481 HydrophobicContact CG2-CD2 3.8Å; L481-L483 HydrophobicContact CD1-CD2 4.12Å; L481-L483 HydrophobicContact CD2-CD2 3.88Å; L481-L483 HydrophobicContact CD2-CG 4.28Å; L481-L483 HydrophobicContact CG-CD2 3.93Å; L481-L483 HydrophobicContact CG-CG 4.2Å; L481-V492 HydrophobicContact CD2-CG2 4.17Å; L481-N501 PolarHBondContact N-O 3.42Å; L481-V502 HydrophobicContact CB-CG2 4.36Å; L481-V502 HydrophobicContact CD2-CG1 4.31Å; L481-V502 HydrophobicContact CD2-CG2 4.18Å; L481-V502 CarbonylContact O-C 3.59Å; L481-V502 WeakPolarHBondContact O-CA 3.36Å; L481-L503 PolarHBondContact O-N 3.3Å
482	Y	86.1	Confident	81.5	Confident	47 Å²	47	46.9 Å²	46.9	18%	0.184	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	111.1	171	-62.7	-94.3	0	0	0	109.2	E461 V462 Q463 T464 L480 L503 Y511	E461-Y482 HydrophobicContact CB-CE2 4.32Å; V462-Y482 PolarHBondContact O-N 2.96Å; Q463-Y482 WeakPolarHBondContact CA-O 3.37Å; Q463-Y482 HydrophobicContact CB-CD2 4.34Å; Q463-Y482 HydrophobicContact CB-CG 4.47Å; T464-Y482 PolarHBondContact N-O 2.64Å; L480-Y482 HydrophobicContact CB-CE2 4.28Å; L480-Y482 HydrophobicContact CD2-CE2 3.59Å; L480-Y482 WeakPolarHBondContact CD2-OH 3.47Å; L480-Y482 HydrophobicContact CG-CD2 4.37Å; L480-Y482 HydrophobicContact CG-CE2 3.63Å; Y482-L503 HydrophobicContact CD1-CB 3.83Å; Y482-L503 HydrophobicContact CD1-CD1 4.41Å; Y482-L503 HydrophobicContact CD1-CD2 4.2Å; Y482-L503 HydrophobicContact CD1-CG 4.36Å; Y482-L503 HydrophobicContact CE1-CB 4.24Å; Y482-L503 HydrophobicContact CE1-CD1 4.24Å; Y482-L503 HydrophobicContact CE1-CD2 3.73Å; Y482-L503 HydrophobicContact CE1-CG 4.28Å; Y482-L503 HydrophobicContact CG-CB 4.44Å; Y482-Y511 AromaticContact CD1-CD1 3.91Å; Y482-Y511 HydrophobicContact CD1-CD1 3.91Å; Y482-Y511 HydrophobicContact CD1-CD2 4.28Å; Y482-Y511 AromaticContact CD1-CE1 3.99Å; Y482-Y511 HydrophobicContact CD1-CE1 3.99Å; Y482-Y511 HydrophobicContact CD1-CE2 4.37Å; Y482-Y511 HydrophobicContact CD1-CG 4.06Å; Y482-Y511 HydrophobicContact CE1-CG 4.45Å
483	L	82.7	Confident	81.2	Confident	8 Å²	8	49 Å²	49	4%	0.042	25%	0.248	C	C	.	.			trans	-84.5	153.2	175.3	-64.8	177.7	0	0	0	110.8	T464 L468 L481 A487 C490 V502 L503 I504 P505	T464-L483 HydrophobicContact CG2-CD2 4.24Å; L468-L483 HydrophobicContact CD2-CD2 4.24Å; L481-L483 HydrophobicContact CD1-CD2 4.12Å; L481-L483 HydrophobicContact CD2-CD2 3.88Å; L481-L483 HydrophobicContact CD2-CG 4.28Å; L481-L483 HydrophobicContact CG-CD2 3.93Å; L481-L483 HydrophobicContact CG-CG 4.2Å; L483-A487 HydrophobicContact CD2-CB 4.21Å; L483-C490 HydrophobicContact CD2-CB 3.93Å; L483-V502 HydrophobicContact CD1-CG1 3.71Å; L483-V502 HydrophobicContact CG-CG1 4.11Å; L483-L503 PolarHBondContact N-O 3.45Å; L483-I504 HydrophobicContact CD1-CD1 4.25Å; L483-P505 WeakPolarHBondContact O-CD 3.38Å
484	S	83.9	Confident	80.7	Confident	9 Å²	9	51.2 Å²	51.2	6%	0.063	26%	0.264	C	S	.	.			trans	-90.9	171.8	166.9	81	0	0	0	0	109.4	T464 L465 G466 S486 A487	T464-S484 WeakPolarHBondContact O-CB 3.41Å; L465-S484 WeakPolarHBondContact O-CB 3.47Å; G466-S484 PolarHBondContact O-OG 3.15Å; S484-S486 PolarHBondContact O-N 3.37Å; S484-S486 PolarHBondContact OG-N 3.35Å; S484-A487 PolarHBondContact O-N 3.02Å; S484-A487 PolarHBondContact OG-N 3.09Å
485	R	79.3	Confident	80.3	Confident	154 Å²	154	50 Å²	50	58%	0.581	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-62.7	-25.7	170.1	-69.6	-170.4	-175.7	161	8.3	112.9	A487 L488 P505 K506 E507	R485-A487 VanDerWaalsContact C-N 3.32Å; R485-L488 WeakPolarHBondContact O-CG 3.37Å; R485-P505 HydrophobicContact CG-CG 3.96Å; R485-K506 PolarHBondContact NH2-O 3.18Å; R485-E507 VanDerWaalsContact NH2-CA 3.32Å; R485-E507 PolarHBondContact NH2-O 3.27Å
486	S	79.5	Confident	79.9	Confident	72 Å²	72	54 Å²	54	50%	0.503	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-86.6	-2	179.8	-52.3	0	0	0	0	113.3	S484	S484-S486 PolarHBondContact O-N 3.37Å; S484-S486 PolarHBondContact OG-N 3.35Å
487	A	78.9	Confident	79.5	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-122.6	22.7	-177.9	0	0	0	0	0	112.7	T464 L468 L483 S484 R485 D489 C490	T464-A487 HydrophobicContact CG2-CB 3.72Å; L468-A487 HydrophobicContact CB-CB 3.9Å; L483-A487 HydrophobicContact CD2-CB 4.21Å; S484-A487 PolarHBondContact O-N 3.02Å; S484-A487 PolarHBondContact OG-N 3.09Å; R485-A487 VanDerWaalsContact C-N 3.32Å; A487-D489 PolarHBondContact O-N 3.36Å; A487-C490 WeakPolarHBondContact O-CB 3.32Å; A487-C490 PolarHBondContact O-N 2.88Å; A487-C490 VanDerWaalsContact O-N 3.16Å
488	L	76.3	Confident	79.1	Confident	43 Å²	43	51.4 Å²	51.4	23%	0.225	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19	-179.8	-63.7	176	0	0	0	113.1	R485 I504 W567	R485-L488 WeakPolarHBondContact O-CG 3.37Å; L488-I504 HydrophobicContact CD2-CD1 4.01Å; L488-I504 HydrophobicContact CD2-CG2 3.43Å; L488-I504 VanDerWaalsContact CD2-CG2 3.43Å; L488-W567 HydrophobicContact CB-CB 4.21Å; L488-W567 HydrophobicContact CB-CG 4.28Å; L488-W567 WeakPolarHBondContact O-CB 3.19Å
489	D	74.9	Confident	78.9	Confident	120 Å²	120	56.4 Å²	56.4	64%	0.642	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	6.7	174.6	62.7	-31.8	0	0	0	113.2	A487 E491	A487-D489 PolarHBondContact O-N 3.36Å; D489-E491 PolarHBondContact O-N 3Å
490	C	73.1	Confident	78.3	Confident	11 Å²	11	56.6 Å²	56.6	7%	0.074	29%	0.287	C	S	.	.			trans	-55.9	127.5	176.8	178.8	0	0	0	0	111.8	L468 P469 L483 A487	L468-C490 WeakPolarHBondContact O-CA 3.42Å; L468-C490 WeakPolarHBondContact O-CB 3.5Å; P469-C490 WeakPolarHBondContact O-CA 3.39Å; L483-C490 HydrophobicContact CD2-CB 3.93Å; A487-C490 WeakPolarHBondContact O-CB 3.32Å; A487-C490 PolarHBondContact O-N 2.88Å; A487-C490 VanDerWaalsContact O-N 3.16Å
491	E	76.6	Confident	77.9	Confident	117 Å²	117	55.4 Å²	55.4	55%	0.547	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	128.6	171.5	-174.4	174.9	178.4	0	0	110.6	P469 T470 I471 D489 V493	P469-E491 PolarHBondContact O-N 2.97Å; T470-E491 CarbonylContact C-O 3.54Å; T470-E491 VanDerWaalsContact CA-O 3.29Å; T470-E491 WeakPolarHBondContact CA-O 3.43Å; T470-E491 HydrophobicContact CG2-CB 4.18Å; T470-E491 HydrophobicContact CG2-CG 4.48Å; I471-E491 PolarHBondContact N-O 2.92Å; D489-E491 PolarHBondContact O-N 3Å; E491-V493 HydrophobicContact CG-CG2 4.16Å
492	V	79.3	Confident	77.5	Confident	54 Å²	54	56 Å²	56	33%	0.327	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	110.8	178.9	-176.7	0	0	0	0	109.3	I471 I473 L481	I471-V492 HydrophobicContact CG2-CB 4.16Å; I471-V492 HydrophobicContact CG2-CG1 4.13Å; I471-V492 HydrophobicContact CG2-CG2 3.75Å; I473-V492 HydrophobicContact CD1-CG1 4.43Å; L481-V492 HydrophobicContact CD2-CG2 4.17Å
493	V	77.6	Confident	77	Confident	65 Å²	65	54.7 Å²	54.7	39%	0.394	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.2	176.5	-174.9	0	0	0	0	108.3	T470 I471 T472 I473 E491	T470-V493 HydrophobicContact CG2-CG2 4.34Å; I471-V493 PolarHBondContact O-N 3.18Å; T472-V493 CarbonylContact C-O 3.56Å; T472-V493 VanDerWaalsContact CA-O 3.22Å; T472-V493 WeakPolarHBondContact CA-O 3.44Å; T472-V493 HydrophobicContact CG2-CB 4.31Å; I473-V493 PolarHBondContact N-O 3.42Å; E491-V493 HydrophobicContact CG-CG2 4.16Å
494	S	74.8	Confident	76.8	Confident	51 Å²	51	55.1 Å²	55.1	36%	0.357	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.7	-178.7	179.7	0	0	0	0	112.2	I473 M500	I473-S494 CarbonylContact O-C 3.54Å; I473-S494 VanDerWaalsContact O-CA 3.28Å; I473-S494 WeakPolarHBondContact O-CA 3.36Å; I473-S494 PolarHBondContact O-OG 3.41Å; S494-M500 VanDerWaalsContact OG-CE 3.23Å; S494-M500 WeakPolarHBondContact OG-CE 3.37Å; S494-M500 PolarHBondContact OG-SD 3.31Å
495	S	72.1	Confident	76.4	Confident	56 Å²	56	55.9 Å²	55.9	39%	0.392	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	130.9	175.2	65.8	0	0	0	0	111.3	I473 Q474 K475 S497	I473-S495 PolarHBondContact O-N 3.23Å; Q474-S495 CarbonylContact C-O 3.57Å; Q474-S495 VanDerWaalsContact CA-O 3.3Å; Q474-S495 WeakPolarHBondContact CA-O 3.49Å; Q474-S495 WeakPolarHBondContact CG-OG 3.48Å; K475-S495 PolarHBondContact N-O 2.91Å; S495-S497 PolarHBondContact O-N 2.79Å; S495-S497 VanDerWaalsContact O-N 3.12Å; S495-S497 PolarHBondContact O-OG 3.3Å; S495-S497 VanDerWaalsContact O-OG 3.09Å
496	R	77.1	Confident	76.1	Confident	195 Å²	195	52.8 Å²	52.8	74%	0.736	28%	0.278	S	S	*	.	S	Bend	trans	52.4	35.6	178.2	-160.5	-177.7	174.1	163.6	1.6	113.5	K475	K475-R496 VanDerWaalsContact CA-O 3.26Å; K475-R496 WeakPolarHBondContact CA-O 3.5Å
497	S	73.6	Confident	75.5	Confident	9 Å²	9	58.2 Å²	58.2	6%	0.063	30%	0.296	C	S	.	.			trans	-120.3	148.9	-177.8	-59.8	0	0	0	0	110.8	I473 K475 T476 S495	I473-S497 VanDerWaalsContact C-OG 3.32Å; I473-S497 PolarHBondContact O-OG 3.45Å; K475-S497 PolarHBondContact N-OG 3.03Å; T476-S497 PolarHBondContact N-OG 2.93Å; T476-S497 VanDerWaalsContact N-OG 3.09Å; T476-S497 CarbonylContact O-C 3.11Å; T476-S497 WeakPolarHBondContact O-CA 3.39Å; T476-S497 WeakPolarHBondContact O-CB 3.5Å; S495-S497 PolarHBondContact O-N 2.79Å; S495-S497 VanDerWaalsContact O-N 3.12Å; S495-S497 PolarHBondContact O-OG 3.3Å; S495-S497 VanDerWaalsContact O-OG 3.09Å
498	S	76.5	Confident	74.9	Confident	20 Å²	20	63.2 Å²	63.2	14%	0.14	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	161.6	-176.2	74.4	0	0	0	0	111.8	T476 D477 G478 M500	T476-S498 PolarHBondContact O-N 3.07Å; D477-S498 PolarHBondContact OD1-OG 3.41Å; G478-S498 PolarHBondContact N-O 3.3Å; S498-M500 PolarHBondContact O-N 3Å; S498-M500 VanDerWaalsContact O-N 3.16Å
499	E	75.7	Confident	74.2	Confident	113 Å²	113	63.6 Å²	63.6	53%	0.528	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.9	30.9	176.6	-58.1	179.5	-173.9	0	0	113.9	C479 N501 F517	C479-E499 PolarHBondContact N-O 3.46Å; E499-N501 PolarHBondContact O-ND2 3.43Å; E499-F517 WeakPolarHBondContact CA-O 3.46Å; E499-F517 PolarHBondContact N-O 3.4Å
500	M	72.2	Confident	73.8	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.03	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	143.6	177.7	-47	177.2	-51.1	0	0	109.8	I473 C479 S494 S498 F517	I473-M500 HydrophobicContact CB-SD 3.91Å; I473-M500 HydrophobicContact CD1-CG 4.5Å; I473-M500 HydrophobicContact CD1-SD 3.78Å; I473-M500 HydrophobicContact CG1-SD 4.45Å; I473-M500 HydrophobicContact CG2-CG 4.4Å; I473-M500 HydrophobicContact CG2-SD 3.72Å; C479-M500 HydrophobicContact CB-CG 4.3Å; C479-M500 CarbonylContact O-C 3.52Å; C479-M500 WeakPolarHBondContact O-CA 3.42Å; S494-M500 VanDerWaalsContact OG-CE 3.23Å; S494-M500 WeakPolarHBondContact OG-CE 3.37Å; S494-M500 PolarHBondContact OG-SD 3.31Å; S498-M500 PolarHBondContact O-N 3Å; S498-M500 VanDerWaalsContact O-N 3.16Å; M500-F517 HydrophobicContact CB-CB 3.93Å; M500-F517 HydrophobicContact CB-CD2 3.71Å; M500-F517 HydrophobicContact CB-CG 4.11Å; M500-F517 HydrophobicContact CE-CB 3.74Å; M500-F517 HydrophobicContact CE-CD1 3.69Å; M500-F517 HydrophobicContact CE-CD2 3.71Å; M500-F517 HydrophobicContact CE-CE1 4.2Å; M500-F517 HydrophobicContact CE-CE2 4.19Å; M500-F517 HydrophobicContact CE-CG 3.45Å; M500-F517 VanDerWaalsContact CE-CG 3.45Å; M500-F517 HydrophobicContact CE-CZ 4.42Å; M500-F517 HydrophobicContact CG-CB 4.49Å; M500-F517 WeakPolarHBondContact O-CB 3.5Å; M500-F517 WeakPolarHBondContact O-CD2 3.42Å; M500-F517 PolarHBondContact O-N 3.28Å
501	N	77.6	Confident	73.4	Confident	11 Å²	11	67.1 Å²	67.1	6%	0.059	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	134.1	178.7	-75.9	-79.1	0	0	0	109.7	C479 L480 L481 E499 L503 R513 F515 E516	C479-N501 PolarHBondContact O-N 3.32Å; L480-N501 HydrophobicContact CD1-CB 3.42Å; L480-N501 VanDerWaalsContact CD1-CB 3.42Å; L481-N501 PolarHBondContact N-O 3.42Å; E499-N501 PolarHBondContact O-ND2 3.43Å; N501-L503 HydrophobicContact CB-CD1 4.49Å; N501-R513 PolarHBondContact ND2-NH2 3.49Å; N501-R513 PolarHBondContact OD1-NE 2.95Å; N501-R513 PolarHBondContact OD1-NH2 3.36Å; N501-F515 VanDerWaalsContact CA-O 3.23Å; N501-F515 WeakPolarHBondContact CA-O 3.35Å; N501-F515 PolarHBondContact OD1-O 3.46Å; N501-E516 VanDerWaalsContact OD1-CA 3.24Å; N501-E516 WeakPolarHBondContact OD1-CA 3.48Å; N501-E516 WeakPolarHBondContact OD1-CB 3.34Å
502	V	80	Confident	72.6	Confident	16 Å²	16	64.3 Å²	64.3	10%	0.097	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.2	176.8	-175.7	0	0	0	0	109.4	L481 L483 I504 M514 F515 F517	L481-V502 HydrophobicContact CB-CG2 4.36Å; L481-V502 HydrophobicContact CD2-CG1 4.31Å; L481-V502 HydrophobicContact CD2-CG2 4.18Å; L481-V502 CarbonylContact O-C 3.59Å; L481-V502 WeakPolarHBondContact O-CA 3.36Å; L483-V502 HydrophobicContact CD1-CG1 3.71Å; L483-V502 HydrophobicContact CG-CG1 4.11Å; V502-I504 HydrophobicContact CG1-CG1 4.46Å; V502-M514 PolarHBondContact O-N 3.46Å; V502-F515 PolarHBondContact N-O 3.12Å; V502-F517 HydrophobicContact CG2-CE2 4.16Å
503	L	75.6	Confident	71.2	Confident	19 Å²	19	67.9 Å²	67.9	10%	0.099	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.7	-178.7	-72.6	96.3	0	0	0	110.1	L480 L481 Y482 L483 N501 Y511 V512	L480-L503 HydrophobicContact CD1-CD1 3.15Å; L480-L503 HydrophobicContact CD2-CD1 4.42Å; L480-L503 HydrophobicContact CG-CD1 3.61Å; L481-L503 PolarHBondContact O-N 3.3Å; Y482-L503 HydrophobicContact CD1-CB 3.83Å; Y482-L503 HydrophobicContact CD1-CD1 4.41Å; Y482-L503 HydrophobicContact CD1-CD2 4.2Å; Y482-L503 HydrophobicContact CD1-CG 4.36Å; Y482-L503 HydrophobicContact CE1-CB 4.24Å; Y482-L503 HydrophobicContact CE1-CD1 4.24Å; Y482-L503 HydrophobicContact CE1-CD2 3.73Å; Y482-L503 HydrophobicContact CE1-CG 4.28Å; Y482-L503 HydrophobicContact CG-CB 4.44Å; L483-L503 PolarHBondContact N-O 3.45Å; N501-L503 HydrophobicContact CB-CD1 4.49Å; L503-Y511 HydrophobicContact CB-CD1 3.93Å; L503-Y511 HydrophobicContact CB-CG 4.35Å; L503-V512 WeakPolarHBondContact CA-O 3.48Å
504	I	77.9	Confident	69.9	Low	17 Å²	17	67.4 Å²	67.4	9%	0.087	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.5	-177.2	-57.1	-146.6	0	0	0	109.2	L483 L488 V502 Y511 V512 M514	L483-I504 HydrophobicContact CD1-CD1 4.25Å; L488-I504 HydrophobicContact CD2-CD1 4.01Å; L488-I504 HydrophobicContact CD2-CG2 3.43Å; L488-I504 VanDerWaalsContact CD2-CG2 3.43Å; V502-I504 HydrophobicContact CG1-CG1 4.46Å; I504-Y511 WeakPolarHBondContact O-CA 3.35Å; I504-V512 PolarHBondContact N-O 3.34Å; I504-V512 PolarHBondContact O-N 3.37Å; I504-M514 HydrophobicContact CB-CE 3.76Å; I504-M514 HydrophobicContact CD1-CE 3.33Å; I504-M514 HydrophobicContact CD1-SD 3.45Å; I504-M514 WeakPolarHBondContact CD1-SD 3.44Å; I504-M514 HydrophobicContact CG1-CB 4.29Å; I504-M514 HydrophobicContact CG1-CE 3.61Å; I504-M514 HydrophobicContact CG1-SD 3.94Å; I504-M514 HydrophobicContact CG2-CE 4.09Å
505	P	75.2	Confident	68.7	Low	25 Å²	25	67 Å²	67	16%	0.162	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	131	-179.3	28.7	-33.2	0	0	0	110.4	L483 R485 Y511	L483-P505 WeakPolarHBondContact O-CD 3.38Å; R485-P505 HydrophobicContact CG-CG 3.96Å; P505-Y511 HydrophobicContact CB-CD1 4.27Å; P505-Y511 HydrophobicContact CB-CE1 3.92Å; P505-Y511 HydrophobicContact CG-CE1 4.33Å
506	K	72.7	Confident	67	Low	88 Å²	88	69.5 Å²	69.5	38%	0.383	34%	0.335	S	S	.	.			trans	-78.6	179.8	171	-83.8	166.4	154.3	170.8	0	111.9	R485 D508 E510 V512	R485-K506 PolarHBondContact NH2-O 3.18Å; K506-D508 VanDerWaalsContact C-N 3.32Å; K506-D508 WeakPolarHBondContact CB-OD1 3.49Å; K506-E510 WeakPolarHBondContact CB-O 3.4Å; K506-E510 HydrophobicContact CD-CB 4.32Å; K506-E510 PolarHBondContact N-O 2.81Å; K506-E510 IonicContact NZ-OE2 2.75Å; K506-V512 HydrophobicContact CD-CG2 3.41Å; K506-V512 VanDerWaalsContact CD-CG2 3.41Å; K506-V512 HydrophobicContact CG-CG2 3.63Å
507	E	67.4	Low	65.4	Low	187 Å²	187	62.6 Å²	62.6	87%	0.874	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-35.8	170.9	-67.6	-169.7	170	0	0	112.9	R485 G509	R485-E507 VanDerWaalsContact NH2-CA 3.32Å; R485-E507 PolarHBondContact NH2-O 3.27Å; E507-G509 VanDerWaalsContact C-N 3.29Å; E507-G509 PolarHBondContact O-N 3.21Å
508	D	67.1	Low	63.4	Low	104 Å²	104	69.3 Å²	69.3	56%	0.556	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-4.6	-178.6	59.1	10.8	0	0	0	114.6	K506 E510	K506-D508 VanDerWaalsContact C-N 3.32Å; K506-D508 WeakPolarHBondContact CB-OD1 3.49Å; D508-E510 VanDerWaalsContact C-N 3.3Å; D508-E510 WeakPolarHBondContact OD1-CB 3.4Å; D508-E510 PolarHBondContact OD1-N 3.11Å
509	G	60.5	Low	61.1	Low	52 Å²	52	76.8 Å²	76.8	54%	0.536	37%	0.371	S	S	.	.	S	Bend	trans	84	-2.9	-175.4	0	0	0	0	0	114.4	E507	E507-G509 VanDerWaalsContact C-N 3.29Å; E507-G509 PolarHBondContact O-N 3.21Å
510	E	67.8	Low	58.9	Low	121 Å²	121	73.6 Å²	73.6	57%	0.565	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-76.4	153.4	169.6	-66.2	-167.4	160.4	0	0	111.1	K506 D508	K506-E510 WeakPolarHBondContact CB-O 3.4Å; K506-E510 HydrophobicContact CD-CB 4.32Å; K506-E510 PolarHBondContact N-O 2.81Å; K506-E510 IonicContact NZ-OE2 2.75Å; D508-E510 VanDerWaalsContact C-N 3.3Å; D508-E510 WeakPolarHBondContact OD1-CB 3.4Å; D508-E510 PolarHBondContact OD1-N 3.11Å
511	Y	63.9	Low	56.8	Low	84 Å²	84	80.7 Å²	80.7	33%	0.329	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.2	173	-73.9	-88.8	0	0	0	110.4	Y482 L503 I504 P505	Y482-Y511 AromaticContact CD1-CD1 3.91Å; Y482-Y511 HydrophobicContact CD1-CD1 3.91Å; Y482-Y511 HydrophobicContact CD1-CD2 4.28Å; Y482-Y511 AromaticContact CD1-CE1 3.99Å; Y482-Y511 HydrophobicContact CD1-CE1 3.99Å; Y482-Y511 HydrophobicContact CD1-CE2 4.37Å; Y482-Y511 HydrophobicContact CD1-CG 4.06Å; Y482-Y511 HydrophobicContact CE1-CG 4.45Å; L503-Y511 HydrophobicContact CB-CD1 3.93Å; L503-Y511 HydrophobicContact CB-CG 4.35Å; I504-Y511 WeakPolarHBondContact O-CA 3.35Å; P505-Y511 HydrophobicContact CB-CD1 4.27Å; P505-Y511 HydrophobicContact CB-CE1 3.92Å; P505-Y511 HydrophobicContact CG-CE1 4.33Å
512	V	60.2	Low	54.3	Low	57 Å²	57	85.9 Å²	85.9	35%	0.345	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.4	167.7	-179.7	0	0	0	0	108.3	L503 I504 K506 M514	L503-V512 WeakPolarHBondContact CA-O 3.48Å; I504-V512 PolarHBondContact N-O 3.34Å; I504-V512 PolarHBondContact O-N 3.37Å; K506-V512 HydrophobicContact CD-CG2 3.41Å; K506-V512 VanDerWaalsContact CD-CG2 3.41Å; K506-V512 HydrophobicContact CG-CG2 3.63Å; V512-M514 PolarHBondContact O-N 2.97Å; V512-M514 VanDerWaalsContact O-N 3.08Å
513	R	50.1	Low	51.7	Low	130 Å²	130	92.6 Å²	92.6	49%	0.491	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	107.4	164.8	-178.3	-173.7	-96.3	-153.4	-11.4	107.5	N501 E516	N501-R513 PolarHBondContact ND2-NH2 3.49Å; N501-R513 PolarHBondContact OD1-NE 2.95Å; N501-R513 PolarHBondContact OD1-NH2 3.36Å; R513-E516 IonicContact CZ-OE1 2.76Å; R513-E516 IonicContact NH1-OE1 3.19Å; R513-E516 PolarHBondContact NH1-OE1 2.82Å; R513-E516 IonicContact NH1-OE2 3.05Å; R513-E516 PolarHBondContact NH1-OE2 3.27Å; R513-E516 VanDerWaalsContact NH1-OE2 3.09Å; R513-E516 IonicContact NH2-OE1 3.97Å
514	M	50.5	Low	49.3	Very low	54 Å²	54	100.3 Å²	100.3	27%	0.266	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-32.6	-174.7	-159.2	-177.7	-88.9	0	0	111.4	V502 I504 V512 W567 L572	V502-M514 PolarHBondContact O-N 3.46Å; I504-M514 HydrophobicContact CB-CE 3.76Å; I504-M514 HydrophobicContact CD1-CE 3.33Å; I504-M514 HydrophobicContact CD1-SD 3.45Å; I504-M514 WeakPolarHBondContact CD1-SD 3.44Å; I504-M514 HydrophobicContact CG1-CB 4.29Å; I504-M514 HydrophobicContact CG1-CE 3.61Å; I504-M514 HydrophobicContact CG1-SD 3.94Å; I504-M514 HydrophobicContact CG2-CE 4.09Å; V512-M514 PolarHBondContact O-N 2.97Å; V512-M514 VanDerWaalsContact O-N 3.08Å; M514-W567 HydrophobicContact CE-CE3 4.46Å; M514-W567 HydrophobicContact CE-CH2 4.29Å; M514-W567 HydrophobicContact CE-CZ3 3.88Å; M514-W567 HydrophobicContact SD-CZ3 4.46Å; M514-L572 HydrophobicContact SD-CD1 4.01Å; M514-L572 HydrophobicContact SD-CG 4.37Å
515	F	48.6	Very low	46.8	Very low	44 Å²	44	103.7 Å²	103.7	19%	0.193	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	143.2	-178.3	-68.1	-79.9	0	0	0	112.9	N501 V502 F517 A527 L572	N501-F515 VanDerWaalsContact CA-O 3.23Å; N501-F515 WeakPolarHBondContact CA-O 3.35Å; N501-F515 PolarHBondContact OD1-O 3.46Å; V502-F515 PolarHBondContact N-O 3.12Å; F515-F517 HydrophobicContact CB-CD2 4.46Å; F515-F517 HydrophobicContact CB-CE2 4.04Å; F515-A527 HydrophobicContact CE1-CB 4.32Å; F515-A527 HydrophobicContact CZ-CB 4.16Å; F515-L572 HydrophobicContact CD2-CD1 4.31Å; F515-L572 HydrophobicContact CE2-CD1 3.21Å; F515-L572 HydrophobicContact CZ-CD1 3.5Å
516	E	36.9	Very low	44.5	Very low	107 Å²	107	113 Å²	113	50%	0.5	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	113.3	168.6	-176.2	158.2	-137.3	0	0	108.8	N501 R513 E518	N501-E516 VanDerWaalsContact OD1-CA 3.24Å; N501-E516 WeakPolarHBondContact OD1-CA 3.48Å; N501-E516 WeakPolarHBondContact OD1-CB 3.34Å; R513-E516 IonicContact CZ-OE1 2.76Å; R513-E516 IonicContact NH1-OE1 3.19Å; R513-E516 PolarHBondContact NH1-OE1 2.82Å; R513-E516 IonicContact NH1-OE2 3.05Å; R513-E516 PolarHBondContact NH1-OE2 3.27Å; R513-E516 VanDerWaalsContact NH1-OE2 3.09Å; R513-E516 IonicContact NH2-OE1 3.97Å; E516-E518 HydrophobicContact CG-CG 4.4Å; E516-E518 PolarHBondContact O-N 3.32Å
517	F	42.9	Very low	42.3	Very low	50 Å²	50	111.6 Å²	111.6	22%	0.219	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	84.8	178.8	-66.6	-91.4	0	0	0	109.5	E499 M500 V502 F515 I520	E499-F517 WeakPolarHBondContact CA-O 3.46Å; E499-F517 PolarHBondContact N-O 3.4Å; M500-F517 HydrophobicContact CB-CB 3.93Å; M500-F517 HydrophobicContact CB-CD2 3.71Å; M500-F517 HydrophobicContact CB-CG 4.11Å; M500-F517 HydrophobicContact CE-CB 3.74Å; M500-F517 HydrophobicContact CE-CD1 3.69Å; M500-F517 HydrophobicContact CE-CD2 3.71Å; M500-F517 HydrophobicContact CE-CE1 4.2Å; M500-F517 HydrophobicContact CE-CE2 4.19Å; M500-F517 HydrophobicContact CE-CG 3.45Å; M500-F517 VanDerWaalsContact CE-CG 3.45Å; M500-F517 HydrophobicContact CE-CZ 4.42Å; M500-F517 HydrophobicContact CG-CB 4.49Å; M500-F517 WeakPolarHBondContact O-CB 3.5Å; M500-F517 WeakPolarHBondContact O-CD2 3.42Å; M500-F517 PolarHBondContact O-N 3.28Å; V502-F517 HydrophobicContact CG2-CE2 4.16Å; F515-F517 HydrophobicContact CB-CD2 4.46Å; F515-F517 HydrophobicContact CB-CE2 4.04Å; F517-I520 HydrophobicContact CB-CD1 4.27Å; F517-I520 HydrophobicContact CD1-CD1 3.69Å; F517-I520 HydrophobicContact CG-CD1 4.43Å
518	E	31.5	Very low	40.4	Very low	150 Å²	150	106.7 Å²	106.7	70%	0.701	52%	0.517	S	S	*	.			trans	-80.5	121.9	168.4	-81	-167.6	155.2	0	0	110.9	E516 I520	E516-E518 HydrophobicContact CG-CG 4.4Å; E516-E518 PolarHBondContact O-N 3.32Å; E518-I520 WeakPolarHBondContact O-CG1 3.43Å; E518-I520 PolarHBondContact O-N 3.36Å
519	K	28.8	Very low	38.4	Very low	178 Å²	178	105.1 Å²	105.1	77%	0.774	52%	0.518	S	S	*	.	S	Bend	trans	26.6	83.2	173.8	-72.1	-175	178.5	179	0	114.2
520	I	28.7	Very low	36.7	Very low	45 Å²	45	106.8 Å²	106.8	23%	0.231	52%	0.521	C	S	.	.			trans	-109.4	90.1	-175	-61.2	-151.7	0	0	0	109	F517 E518 I522 K523	F517-I520 HydrophobicContact CB-CD1 4.27Å; F517-I520 HydrophobicContact CD1-CD1 3.69Å; F517-I520 HydrophobicContact CG-CD1 4.43Å; E518-I520 WeakPolarHBondContact O-CG1 3.43Å; E518-I520 PolarHBondContact O-N 3.36Å; I520-I522 PolarHBondContact O-N 3.02Å; I520-I522 VanDerWaalsContact O-N 3.08Å; I520-K523 HydrophobicContact CB-CB 4.41Å; I520-K523 HydrophobicContact CD1-CB 4.24Å; I520-K523 HydrophobicContact CG1-CB 4.21Å; I520-K523 HydrophobicContact CG2-CB 4.01Å
521	Y	29.5	Very low	34.5	Very low	155 Å²	155	113.1 Å²	113.1	61%	0.608	54%	0.54	S	S	*	.	S	Bend	trans	-72.8	81.4	150	-73.5	-72.4	0	0	0	106.5	E147 K523	E147-Y521 HydrophobicContact CB-CD1 4.18Å; E147-Y521 VanDerWaalsContact CD-CD1 3.42Å; E147-Y521 HydrophobicContact CG-CD1 4.38Å; E147-Y521 HydrophobicContact CG-CE1 4.4Å; E147-Y521 WeakPolarHBondContact OE1-CE1 3.13Å; E147-Y521 WeakPolarHBondContact OE2-CD1 3.49Å; E147-Y521 WeakPolarHBondContact OE2-CE1 3.17Å; Y521-K523 PolarHBondContact O-N 3.43Å; Y521-K523 VanDerWaalsContact O-N 3.13Å
522	I	25.5	Very low	32.6	Very low	121 Å²	121	116.8 Å²	116.8	62%	0.621	56%	0.56	S	S	*	*	S	Bend	trans	31.2	63.1	-170.9	-46.5	178.7	0	0	0	113.3	I520	I520-I522 PolarHBondContact O-N 3.02Å; I520-I522 VanDerWaalsContact O-N 3.08Å
523	K	24.2	Very low	30.8	Very low	157 Å²	157	123.6 Å²	123.6	68%	0.683	59%	0.585	S	S	*	*			trans	-85.2	117.4	164.1	-121.1	-176.9	-176.6	-179.4	0	110.7	I520 Y521	I520-K523 HydrophobicContact CB-CB 4.41Å; I520-K523 HydrophobicContact CD1-CB 4.24Å; I520-K523 HydrophobicContact CG1-CB 4.21Å; I520-K523 HydrophobicContact CG2-CB 4.01Å; Y521-K523 PolarHBondContact O-N 3.43Å; Y521-K523 VanDerWaalsContact O-N 3.13Å
524	R	24.6	Very low	29.6	Very low	181 Å²	181	121.5 Å²	121.5	68%	0.683	60%	0.596	S	S	*	*			trans	-39.3	135.1	159.6	-67.6	170.7	177.2	166.9	0.3	111.7	I559	R524-I559 VanDerWaalsContact NH2-CD1 3.31Å
525	T	26.4	Very low	28.3	Very low	87 Å²	87	125.4 Å²	125.4	53%	0.534	62%	0.618	S	S	.	*			trans	-125.4	105.6	154.4	-46.3	0	0	0	0	109.1	A527	T525-A527 PolarHBondContact O-N 2.95Å
526	R	26	Very low	27.3	Very low	221 Å²	221	134.7 Å²	134.7	83%	0.834	65%	0.652	S	S	*	*			trans	-68.2	112.3	166.9	-104.6	-179.2	178.4	165.3	0.2	107.7	A528	R526-A528 PolarHBondContact O-N 2.85Å
527	A	27.4	Very low	26.7	Very low	58 Å²	58	136.6 Å²	136.6	48%	0.479	67%	0.665	S	S	.	*			trans	-88.5	85.6	155.7	0	0	0	0	0	107.6	F515 T525	F515-A527 HydrophobicContact CE1-CB 4.32Å; F515-A527 HydrophobicContact CZ-CB 4.16Å; T525-A527 PolarHBondContact O-N 2.95Å
528	A	27.7	Very low	26	Very low	85 Å²	85	145.4 Å²	145.4	70%	0.702	70%	0.697	S	S	*	*			trans	-99.1	103.1	170.8	0	0	0	0	0	108.7	R526	R526-A528 PolarHBondContact O-N 2.85Å
529	A	24.8	Very low	25.7	Very low	71 Å²	71	143.5 Å²	143.5	59%	0.587	70%	0.701	S	S	*	*			trans	-74.9	122.2	155.3	0	0	0	0	0	108.3
530	S	24.8	Very low	25.6	Very low	86 Å²	86	143.5 Å²	143.5	60%	0.601	70%	0.703	S	S	*	*			trans	-159.5	72.2	144.8	-165.3	0	0	0	0	108.5	H532	S530-H532 PolarHBondContact O-N 3.16Å; S530-H532 PolarHBondContact OG-CD2 2.95Å
531	W	22.1	Very low	25.7	Very low	254 Å²	254	147.6 Å²	147.6	96%	0.962	73%	0.733	S	S	*	*			trans	-83.4	82.9	158.8	-84.1	84.9	0	0	0	107.2	F533	W531-F533 PolarHBondContact O-N 3.22Å
532	H	22.6	Very low	25.7	Very low	162 Å²	162	148.2 Å²	148.2	75%	0.75	75%	0.745	S	S	*	*			trans	-66	111.8	161.7	-89	-70.1	0	0	0	108.3	S530 A534	S530-H532 PolarHBondContact O-N 3.16Å; S530-H532 PolarHBondContact OG-CD2 2.95Å; H532-A534 PolarHBondContact O-N 3.08Å
533	F	22.7	Very low	25.8	Very low	199 Å²	199	148.2 Å²	148.2	87%	0.873	75%	0.746	S	S	*	*			trans	-66	76	170.1	-145.6	-90.9	0	0	0	109.2	W531	W531-F533 PolarHBondContact O-N 3.22Å
534	A	25.2	Very low	26	Very low	87 Å²	87	149.7 Å²	149.7	72%	0.719	75%	0.753	S	S	*	*			trans	-100	84.2	175.1	0	0	0	0	0	109.2	H532 R536	H532-A534 PolarHBondContact O-N 3.08Å; A534-R536 PolarHBondContact O-N 2.89Å
535	N	24.4	Very low	26.1	Very low	135 Å²	135	150.1 Å²	150.1	72%	0.722	75%	0.754	S	S	*	*			trans	-60.7	97.3	172	-156.9	14.3	0	0	0	109.4
536	R	26.1	Very low	26.3	Very low	240 Å²	240	153.5 Å²	153.5	91%	0.906	77%	0.769	S	S	*	*			trans	-131.8	91	168.3	-96.2	-173.1	-174.6	179.8	3	111	A534 R538	A534-R536 PolarHBondContact O-N 2.89Å; R536-R538 PolarHBondContact O-N 3.16Å
537	N	25.8	Very low	26.3	Very low	146 Å²	146	146.3 Å²	146.3	78%	0.781	76%	0.764	S	S	*	*			trans	-42.6	115.7	149.8	-75.9	-28	0	0	0	110.8
538	R	28	Very low	26.4	Very low	235 Å²	235	152 Å²	152	89%	0.887	78%	0.78	S	S	*	*				177.8	115.7	128.2	-103.1	175	-161.9	-174.7	4.9	110.8	R536 Q540	R536-R538 PolarHBondContact O-N 3.16Å; R538-Q540 PolarHBondContact O-N 3.24Å
539	S	25.4	Very low	26.4	Very low	111 Å²	111	156.2 Å²	156.2	78%	0.776	79%	0.789	S	S	*	*			trans	-37.6	119.5	148.3	49	0	0	0	0	112.7
540	Q	25.9	Very low	26.7	Very low	177 Å²	177	163.5 Å²	163.5	83%	0.827	80%	0.801	S	S	*	*			trans	-149.3	131.2	139.3	-77.3	-152.4	-12.4	0	0	110.1	R538	R538-Q540 PolarHBondContact O-N 3.24Å
541	P	31.1	Very low	27	Very low	132 Å²	132	166.7 Å²	166.7	86%	0.857	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-84.4	124.2	-179.3	33.4	-31.6	0	0	0	110.2
542	I	28.6	Very low	27.4	Very low	167 Å²	167	158.8 Å²	158.8	86%	0.856	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-87.1	120.5	179.8	-64.1	172.1	0	0	0	109
543	D	28.1	Very low	27.6	Very low	122 Å²	122	157.6 Å²	157.6	65%	0.652	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-60.9	141.7	179	-166.9	-0.4	0	0	0	111.8	R545	D543-R545 IonicContact OD2-NH2 3.1Å
544	K	29.1	Very low	27.7	Very low	188 Å²	188	155.8 Å²	155.8	82%	0.817	80%	0.803	S	S	*	*			trans	-88.7	105.1	176.6	-71.1	178	178.7	177.1	0	107.9
545	R	26.6	Very low	27.7	Very low	190 Å²	190	159.6 Å²	159.6	72%	0.717	81%	0.806	S	S	*	*			trans	-168.5	137.8	153.8	-107	165.4	-74.9	177.8	3.9	110.3	D543	D543-R545 IonicContact OD2-NH2 3.1Å
546	D	29.2	Very low	27.7	Very low	157 Å²	157	160.7 Å²	160.7	84%	0.84	81%	0.806	S	S	*	*			trans	71.2	109.3	168.2	-45.7	-32.3	0	0	0	114.9
547	G	27.4	Very low	27.6	Very low	70 Å²	70	158.9 Å²	158.9	72%	0.722	80%	0.801	S	S	*	*			cis	102.2	107.1	50	0	0	0	0	0	108.4
548	H	28	Very low	27.8	Very low	178 Å²	178	157.4 Å²	157.4	82%	0.824	80%	0.802	S	S	*	*			trans	80.2	79.3	176.3	-68	35.3	0	0	0	117.2	R550	H548-R550 PolarHBondContact O-N 3.15Å; H548-R550 VanDerWaalsContact O-N 3.14Å
549	I	28.9	Very low	27.8	Very low	174 Å²	174	149.5 Å²	149.5	89%	0.892	78%	0.777	S	S	*	*			trans	-69.7	104	157	-61.7	174.2	0	0	0	106.9
550	R	30.4	Very low	28	Very low	223 Å²	223	146.4 Å²	146.4	84%	0.842	75%	0.754	S	S	*	*			trans	-72.2	133.9	170.4	-69.4	-178.1	174.3	-171	-2.1	109	H548 A552	H548-R550 PolarHBondContact O-N 3.15Å; H548-R550 VanDerWaalsContact O-N 3.14Å; R550-A552 PolarHBondContact O-N 3.11Å; R550-A552 VanDerWaalsContact O-N 3.09Å
551	D	31.3	Very low	28.7	Very low	153 Å²	153	142 Å²	142	82%	0.818	73%	0.734	S	S	*	*			trans	-50.6	107.5	-176.5	-64.2	-56.4	0	0	0	112.6	V553	D551-V553 PolarHBondContact O-N 3.43Å
552	A	30	Very low	29.1	Very low	88 Å²	88	142.3 Å²	142.3	73%	0.727	72%	0.724	S	S	*	*			trans	-70.8	106.4	165.6	0	0	0	0	0	108	R550 L554	R550-A552 PolarHBondContact O-N 3.11Å; R550-A552 VanDerWaalsContact O-N 3.09Å; A552-L554 PolarHBondContact O-N 3.42Å
553	V	28.3	Very low	29.8	Very low	137 Å²	137	138.4 Å²	138.4	83%	0.83	70%	0.701	S	S	*	*			trans	-59.7	97.2	174.5	179.1	0	0	0	0	108.8	D551 Q555	D551-V553 PolarHBondContact O-N 3.43Å; V553-Q555 PolarHBondContact O-N 3.2Å
554	L	23.7	Very low	30.7	Very low	162 Å²	162	139.3 Å²	139.3	85%	0.848	70%	0.699	S	S	*	*			trans	-73.9	110.7	172.4	-82.2	160.5	0	0	0	108.8	A552	A552-L554 PolarHBondContact O-N 3.42Å
555	Q	24.6	Very low	31.5	Very low	166 Å²	166	133.4 Å²	133.4	78%	0.776	68%	0.679	S	S	*	*			trans	-91.2	106.1	176.2	-159	164.9	8.5	0	0	108.4	V553	V553-Q555 PolarHBondContact O-N 3.2Å
556	E	24.4	Very low	32.7	Very low	158 Å²	158	127 Å²	127	74%	0.738	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-95.9	136.3	-177.4	-93.8	-173.2	156.5	0	0	112.5
557	Y	24.1	Very low	33.9	Very low	203 Å²	203	122.9 Å²	122.9	80%	0.796	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-90.8	139.2	177.3	-66.7	-92.8	0	0	0	110.8
558	S	30.8	Very low	35.4	Very low	115 Å²	115	122.5 Å²	122.5	80%	0.804	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-63.4	132.9	178	-67.9	0	0	0	0	111.2	P560	S558-P560 WeakPolarHBondContact O-CD 3.23Å
559	I	28.5	Very low	36.4	Very low	68 Å²	68	116.5 Å²	116.5	35%	0.349	60%	0.596	S	S	.	*			trans	-102.4	110.6	-173.7	-69.1	173.2	0	0	0	107.4	R524 F563	R524-I559 VanDerWaalsContact NH2-CD1 3.31Å; I559-F563 HydrophobicContact CB-CZ 4.46Å; I559-F563 HydrophobicContact CG2-CE2 3.46Å; I559-F563 VanDerWaalsContact CG2-CE2 3.46Å; I559-F563 HydrophobicContact CG2-CZ 3.37Å
560	P	29.9	Very low	37.6	Very low	47 Å²	47	117.1 Å²	117.1	31%	0.305	59%	0.592	S	S	.	*			trans	-64.6	150.4	-172.8	13.9	-22.8	0	0	0	114.1	S558 Q562 F563 P576	S558-P560 WeakPolarHBondContact O-CD 3.23Å; P560-Q562 PolarHBondContact O-N 3.08Å; P560-F563 HydrophobicContact CG-CE1 4.12Å; P560-F563 HydrophobicContact CG-CZ 4Å; P560-F563 WeakPolarHBondContact O-CE2 3.5Å; P560-F563 WeakPolarHBondContact O-CZ 3.24Å; P560-P576 HydrophobicContact CB-CB 3.81Å; P560-P576 HydrophobicContact CB-CG 4.37Å; P560-P576 HydrophobicContact CG-CB 3.24Å; P560-P576 HydrophobicContact CG-CG 3.28Å
561	E	39.6	Very low	38.4	Very low	84 Å²	84	110.1 Å²	110.1	39%	0.393	57%	0.569	S	S	.	*	S	Bend	trans	-77.1	-15.3	-163.3	-68.1	-164.4	166.6	0	0	115.6	F141 F145	F141-E561 VanDerWaalsContact CB-OE1 3.31Å; F141-E561 WeakPolarHBondContact CB-OE1 3.36Å; F141-E561 HydrophobicContact CD1-CG 4.15Å; F141-E561 WeakPolarHBondContact CD1-OE1 3.42Å; F141-E561 WeakPolarHBondContact CD1-OE2 3.42Å; F141-E561 HydrophobicContact CE1-CB 4.47Å; F141-E561 HydrophobicContact CE1-CG 4.02Å; F141-E561 WeakPolarHBondContact CE1-OE2 3.1Å; F141-E561 WeakPolarHBondContact CG-OE1 3.35Å; F145-E561 VanDerWaalsContact CE2-CD 3.5Å; F145-E561 HydrophobicContact CE2-CG 4.06Å; F145-E561 WeakPolarHBondContact CE2-OE1 3.43Å; F145-E561 HydrophobicContact CZ-CG 4.31Å
562	Q	40.3	Very low	39.1	Very low	139 Å²	139	104.5 Å²	104.5	65%	0.65	54%	0.539	S	S	*	.			trans	-129.8	120	171.5	-66.9	-175.4	-3.1	0	0	108.4	P560 T577	P560-Q562 PolarHBondContact O-N 3.08Å; Q562-T577 PolarHBondContact O-N 3.37Å; Q562-T577 PolarHBondContact O-OG1 3.26Å
563	F	43.6	Very low	39.8	Very low	85 Å²	85	103.4 Å²	103.4	37%	0.373	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	113.5	170.3	-72.3	-80.5	0	0	0	108.4	I559 P560 T565 K575	I559-F563 HydrophobicContact CB-CZ 4.46Å; I559-F563 HydrophobicContact CG2-CE2 3.46Å; I559-F563 VanDerWaalsContact CG2-CE2 3.46Å; I559-F563 HydrophobicContact CG2-CZ 3.37Å; P560-F563 HydrophobicContact CG-CE1 4.12Å; P560-F563 HydrophobicContact CG-CZ 4Å; P560-F563 WeakPolarHBondContact O-CE2 3.5Å; P560-F563 WeakPolarHBondContact O-CZ 3.24Å; F563-T565 PolarHBondContact O-N 3.19Å; F563-K575 CarbonylContact C-O 3.48Å; F563-K575 VanDerWaalsContact CA-O 3.26Å; F563-K575 WeakPolarHBondContact CA-O 3.3Å
564	K	46.1	Very low	40.8	Very low	140 Å²	140	99.9 Å²	99.9	61%	0.609	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	108.2	158.7	-172.8	174.2	-177.6	171	0	106.9	F566 S574 K575	K564-F566 HydrophobicContact CG-CD1 4.26Å; K564-S574 WeakPolarHBondContact O-CA 3.33Å; K564-K575 PolarHBondContact N-O 2.85Å; K564-K575 PolarHBondContact O-N 2.65Å
565	T	46	Very low	42	Very low	65 Å²	65	97.4 Å²	97.4	40%	0.399	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	110.9	176	-58.8	0	0	0	0	107.3	F563 L572 E573 S574	F563-T565 PolarHBondContact O-N 3.19Å; T565-L572 HydrophobicContact CG2-CB 3.94Å; T565-L572 HydrophobicContact CG2-CD1 4.03Å; T565-L572 HydrophobicContact CG2-CD2 4.04Å; T565-L572 HydrophobicContact CG2-CG 4.23Å; T565-E573 WeakPolarHBondContact CA-O 3.36Å; T565-S574 PolarHBondContact OG1-OG 3.26Å
566	F	50.8	Low	43.1	Very low	54 Å²	54	92.8 Å²	92.8	24%	0.237	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.6	-178.9	61.6	-84.2	0	0	0	109.9	K564 N568 E573 K575	K564-F566 HydrophobicContact CG-CD1 4.26Å; F566-N568 HydrophobicContact CE2-CB 4.27Å; F566-N568 PolarHBondContact O-N 3.32Å; F566-E573 WeakPolarHBondContact CD1-O 3.43Å; F566-E573 HydrophobicContact CE1-CB 4.18Å; F566-E573 HydrophobicContact CE2-CB 4.09Å; F566-E573 HydrophobicContact CZ-CB 3.76Å; F566-E573 PolarHBondContact N-O 3.38Å; F566-E573 PolarHBondContact O-N 3.2Å; F566-K575 HydrophobicContact CE1-CB 4.17Å; F566-K575 HydrophobicContact CE1-CD 3.7Å; F566-K575 HydrophobicContact CE1-CG 3.8Å; F566-K575 HydrophobicContact CZ-CD 3.82Å; F566-K575 HydrophobicContact CZ-CG 4.22Å
567	W	54.5	Low	44.3	Very low	71 Å²	71	88.4 Å²	88.4	27%	0.269	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	118.4	173.5	-178	-110.1	0	0	0	109.8	L488 M514 G569 K570 Q571 L572	L488-W567 HydrophobicContact CB-CB 4.21Å; L488-W567 HydrophobicContact CB-CG 4.28Å; L488-W567 WeakPolarHBondContact O-CB 3.19Å; M514-W567 HydrophobicContact CE-CE3 4.46Å; M514-W567 HydrophobicContact CE-CH2 4.29Å; M514-W567 HydrophobicContact CE-CZ3 3.88Å; M514-W567 HydrophobicContact SD-CZ3 4.46Å; W567-G569 VanDerWaalsContact C-N 3.27Å; W567-G569 VanDerWaalsContact NE1-CA 3.27Å; W567-G569 PolarHBondContact O-N 3.18Å; W567-K570 WeakPolarHBondContact CH2-O 3.1Å; W567-Q571 VanDerWaalsContact CE3-C 3.43Å; W567-Q571 VanDerWaalsContact CZ3-C 3.49Å; W567-L572 HydrophobicContact CB-CD2 4.04Å; W567-L572 HydrophobicContact CE3-CD2 3.97Å; W567-L572 HydrophobicContact CE3-CG 3.99Å
568	N	59.2	Low	45.4	Very low	63 Å²	63	86.1 Å²	86.1	34%	0.337	45%	0.453	S	S	.	.			trans	-87.4	7.4	179.2	77.7	-1.1	0	0	0	113.4	F566 K570 Q571 E573	F566-N568 HydrophobicContact CE2-CB 4.27Å; F566-N568 PolarHBondContact O-N 3.32Å; N568-K570 PolarHBondContact OD1-N 3.27Å; N568-Q571 VanDerWaalsContact CG-O 3.31Å; N568-Q571 PolarHBondContact N-O 3.42Å; N568-Q571 PolarHBondContact OD1-N 3.1Å; N568-Q571 PolarHBondContact OD1-O 2.97Å; N568-E573 HydrophobicContact CB-CG 4.4Å; N568-E573 VanDerWaalsContact ND2-CD 3.27Å; N568-E573 PolarHBondContact ND2-OE1 2.87Å
569	G	48.6	Very low	45.8	Very low	51 Å²	51	86.1 Å²	86.1	53%	0.526	45%	0.453	S	S	.	.	S	Bend	trans	97.2	-14.2	-174.3	0	0	0	0	0	115	W567	W567-G569 VanDerWaalsContact C-N 3.27Å; W567-G569 VanDerWaalsContact NE1-CA 3.27Å; W567-G569 PolarHBondContact O-N 3.18Å
570	K	55.9	Low	46.1	Very low	187 Å²	187	91.2 Å²	91.2	81%	0.813	51%	0.505	S	S	*	.	S	Bend	trans	-133.6	-34.4	178.1	-64.4	-174.5	-179.6	179.7	0	113.9	W567 N568	W567-K570 WeakPolarHBondContact CH2-O 3.1Å; N568-K570 PolarHBondContact OD1-N 3.27Å
571	Q	46.6	Very low	46.9	Very low	77 Å²	77	93.4 Å²	93.4	36%	0.36	51%	0.514	S	S	.	.	S	Bend	trans	-149.9	164.3	-179.8	64.3	-174.4	9.8	0	0	109.9	W567 N568	W567-Q571 VanDerWaalsContact CE3-C 3.43Å; W567-Q571 VanDerWaalsContact CZ3-C 3.49Å; N568-Q571 VanDerWaalsContact CG-O 3.31Å; N568-Q571 PolarHBondContact N-O 3.42Å; N568-Q571 PolarHBondContact OD1-N 3.1Å; N568-Q571 PolarHBondContact OD1-O 2.97Å
572	L	46.1	Very low	47.3	Very low	35 Å²	35	93.9 Å²	93.9	18%	0.183	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	128.2	168.5	-72	174.1	0	0	0	109.7	M514 F515 T565 W567	M514-L572 HydrophobicContact SD-CD1 4.01Å; M514-L572 HydrophobicContact SD-CG 4.37Å; F515-L572 HydrophobicContact CD2-CD1 4.31Å; F515-L572 HydrophobicContact CE2-CD1 3.21Å; F515-L572 HydrophobicContact CZ-CD1 3.5Å; T565-L572 HydrophobicContact CG2-CB 3.94Å; T565-L572 HydrophobicContact CG2-CD1 4.03Å; T565-L572 HydrophobicContact CG2-CD2 4.04Å; T565-L572 HydrophobicContact CG2-CG 4.23Å; W567-L572 HydrophobicContact CB-CD2 4.04Å; W567-L572 HydrophobicContact CE3-CD2 3.97Å; W567-L572 HydrophobicContact CE3-CG 3.99Å
573	E	44.8	Very low	47.6	Very low	65 Å²	65	91.4 Å²	91.4	30%	0.304	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125	169.3	-79.8	-176.3	-170	0	0	109.3	T565 F566 N568	T565-E573 WeakPolarHBondContact CA-O 3.36Å; F566-E573 WeakPolarHBondContact CD1-O 3.43Å; F566-E573 HydrophobicContact CE1-CB 4.18Å; F566-E573 HydrophobicContact CE2-CB 4.09Å; F566-E573 HydrophobicContact CZ-CB 3.76Å; F566-E573 PolarHBondContact N-O 3.38Å; F566-E573 PolarHBondContact O-N 3.2Å; N568-E573 HydrophobicContact CB-CG 4.4Å; N568-E573 VanDerWaalsContact ND2-CD 3.27Å; N568-E573 PolarHBondContact ND2-OE1 2.87Å
574	S	48.9	Very low	47.9	Very low	62 Å²	62	91.8 Å²	91.8	43%	0.434	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.7	174.4	-64.2	0	0	0	0	108.5	K564 T565	K564-S574 WeakPolarHBondContact O-CA 3.33Å; T565-S574 PolarHBondContact OG1-OG 3.26Å
575	K	49	Very low	48	Very low	111 Å²	111	88.8 Å²	88.8	48%	0.483	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.6	174.1	-72.7	-177.2	-177.6	170	0	110.9	F563 K564 F566 T577	F563-K575 CarbonylContact C-O 3.48Å; F563-K575 VanDerWaalsContact CA-O 3.26Å; F563-K575 WeakPolarHBondContact CA-O 3.3Å; K564-K575 PolarHBondContact N-O 2.85Å; K564-K575 PolarHBondContact O-N 2.65Å; F566-K575 HydrophobicContact CE1-CB 4.17Å; F566-K575 HydrophobicContact CE1-CD 3.7Å; F566-K575 HydrophobicContact CE1-CG 3.8Å; F566-K575 HydrophobicContact CZ-CD 3.82Å; F566-K575 HydrophobicContact CZ-CG 4.22Å; K575-T577 PolarHBondContact O-N 3.14Å
576	P	47.3	Very low	48.1	Very low	68 Å²	68	90.3 Å²	90.3	44%	0.442	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	130.9	166.1	-22.4	32.7	0	0	0	110.5	P560 D578	P560-P576 HydrophobicContact CB-CB 3.81Å; P560-P576 HydrophobicContact CB-CG 4.37Å; P560-P576 HydrophobicContact CG-CB 3.24Å; P560-P576 HydrophobicContact CG-CG 3.28Å; P576-D578 PolarHBondContact O-N 3.29Å
577	T	49.9	Very low	47.9	Very low	66 Å²	66	92.9 Å²	92.9	41%	0.405	55%	0.545	S	S	.	.			trans	-78.1	118.3	166.4	-43.7	0	0	0	0	108.1	Q562 K575 S579	Q562-T577 PolarHBondContact O-N 3.37Å; Q562-T577 PolarHBondContact O-OG1 3.26Å; K575-T577 PolarHBondContact O-N 3.14Å; T577-S579 PolarHBondContact O-N 3.46Å; T577-S579 VanDerWaalsContact O-N 3.12Å
578	D	47.7	Very low	47.4	Very low	156 Å²	156	94.6 Å²	94.6	83%	0.834	57%	0.566	S	S	*	*			trans	-66.1	107.7	166.9	-70.5	-35.1	0	0	0	107.5	P576 A580	P576-D578 PolarHBondContact O-N 3.29Å; D578-A580 PolarHBondContact O-N 2.92Å
579	S	37.8	Very low	46.5	Very low	115 Å²	115	97.3 Å²	97.3	80%	0.804	59%	0.585	S	S	*	*			trans	-65.1	113.8	174.2	46.7	0	0	0	0	109.4	T577	T577-S579 PolarHBondContact O-N 3.46Å; T577-S579 VanDerWaalsContact O-N 3.12Å
580	A	35	Very low	46.3	Very low	174 Å²	174	101.5 Å²	101.5	100%	1.438	59%	0.591	S	S	*	*			trans	-72.6	0	164.2	0	0	0	0	0	111.2	D578	D578-A580 PolarHBondContact O-N 2.92Å

Retrieved 580 of 580 residues in 188.4 ms (Link to these results)

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