A0A087XQM6_POEFO Loading...

heparosan-N-sulfate-glucuronate 5-epimerase

AlphaFold DB , UniProt , Accession A0A087XQM6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 591 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	35	Very low	52.3	Low	245 Å²	245	153.4 Å²	153.4	100%	1.207	78%	0.777	S	S	*	*				0	118.6	0	-91.9	-178.7	-96.5	0	0	109
2	R	35.2	Very low	54.3	Low	244 Å²	244	146.5 Å²	146.5	92%	0.921	75%	0.748	S	S	*	*			trans	55.5	91.3	164.4	-62.2	-173.5	178	-179.4	-0.1	119.4
3	C	37.7	Very low	56.1	Low	133 Å²	133	142.8 Å²	142.8	90%	0.899	73%	0.731	S	S	*	*			trans	-68.5	126.5	154.8	-66.5	0	0	0	0	110.6
4	L	37.6	Very low	58	Low	174 Å²	174	140.2 Å²	140.2	91%	0.911	72%	0.717	S	S	*	*			trans	-99.9	89.6	165.2	-99.9	148.9	0	0	0	108.3	A6	L4-A6 PolarHBondContact O-N 3.23Å
5	A	41.9	Very low	59.8	Low	89 Å²	89	136.5 Å²	136.5	74%	0.736	70%	0.703	S	S	*	*			trans	-79.9	93.1	167.8	0	0	0	0	0	108.7	R7	A5-R7 PolarHBondContact O-N 3.4Å; A5-R7 VanDerWaalsContact O-N 3.15Å
6	A	50.6	Low	61.3	Low	85 Å²	85	133.3 Å²	133.3	70%	0.702	69%	0.687	S	S	*	*			trans	-72.5	102.2	168.6	0	0	0	0	0	108.6	L4 V8	L4-A6 PolarHBondContact O-N 3.23Å; A6-V8 PolarHBondContact O-N 3.28Å
7	R	55.9	Low	62.4	Low	249 Å²	249	129.8 Å²	129.8	94%	0.94	68%	0.676	S	S	*	*			trans	-69	94.4	170.6	-75.1	-176.6	177.4	177.3	-0.8	108.7	A5 N9	A5-R7 PolarHBondContact O-N 3.4Å; A5-R7 VanDerWaalsContact O-N 3.15Å; R7-N9 PolarHBondContact O-N 2.94Å
8	V	62	Low	63.8	Low	99 Å²	99	125.6 Å²	125.6	60%	0.6	66%	0.663	S	S	*	*			trans	-70.1	115.4	170.2	-179.3	0	0	0	0	108	A6 Y10	A6-V8 PolarHBondContact O-N 3.28Å; V8-Y10 PolarHBondContact O-N 3.15Å
9	N	73.8	Confident	65	Low	89 Å²	89	124 Å²	124	48%	0.476	65%	0.654	S	S	.	*			trans	-63.2	127.8	177.9	178.7	-14.8	0	0	0	109.6	R7 K11 T12 L13	R7-N9 PolarHBondContact O-N 2.94Å; N9-K11 PolarHBondContact O-N 3.46Å; N9-K11 VanDerWaalsContact O-N 3.08Å; N9-K11 PolarHBondContact OD1-N 3.46Å; N9-T12 WeakPolarHBondContact O-CA 3.39Å; N9-T12 VanDerWaalsContact O-CB 3.26Å; N9-T12 WeakPolarHBondContact O-CB 3.25Å; N9-T12 PolarHBondContact O-N 2.93Å; N9-T12 PolarHBondContact O-OG1 3.24Å; N9-L13 PolarHBondContact O-N 2.98Å
10	Y	72.1	Confident	66.1	Low	153 Å²	153	125.2 Å²	125.2	60%	0.6	65%	0.654	S	S	*	*	H	α-helix	trans	-54.5	-30.3	-175.4	79.6	-81.8	0	0	0	113.4	V8 T12 L13 I14	V8-Y10 PolarHBondContact O-N 3.15Å; Y10-T12 VanDerWaalsContact C-N 3.29Å; Y10-T12 PolarHBondContact O-N 3.41Å; Y10-L13 PolarHBondContact O-N 3.31Å; Y10-I14 HydrophobicContact CD2-CD1 3.83Å; Y10-I14 HydrophobicContact CE2-CD1 4.26Å; Y10-I14 WeakPolarHBondContact O-CG1 3.33Å; Y10-I14 PolarHBondContact O-N 3.47Å
11	K	73.3	Confident	66.9	Low	127 Å²	127	123.3 Å²	123.3	55%	0.552	65%	0.648	S	S	*	*	H	α-helix	trans	-62.7	-37.2	174.7	-65.2	-172.9	177.9	-177.4	0	112	N9 I14 V15	N9-K11 PolarHBondContact O-N 3.46Å; N9-K11 VanDerWaalsContact O-N 3.08Å; N9-K11 PolarHBondContact OD1-N 3.46Å; K11-I14 PolarHBondContact O-N 2.94Å; K11-V15 VanDerWaalsContact O-CG2 3.31Å; K11-V15 WeakPolarHBondContact O-CG2 3.33Å; K11-V15 PolarHBondContact O-N 2.98Å; K11-V15 VanDerWaalsContact O-N 3.14Å
12	T	76.1	Confident	69.3	Low	71 Å²	71	116.5 Å²	116.5	44%	0.436	62%	0.616	S	S	.	*	H	α-helix	trans	-68.9	-38.9	176.8	-22.4	0	0	0	0	111.4	N9 Y10 V15 I16	N9-T12 WeakPolarHBondContact O-CA 3.39Å; N9-T12 VanDerWaalsContact O-CB 3.26Å; N9-T12 WeakPolarHBondContact O-CB 3.25Å; N9-T12 PolarHBondContact O-N 2.93Å; N9-T12 PolarHBondContact O-OG1 3.24Å; Y10-T12 VanDerWaalsContact C-N 3.29Å; Y10-T12 PolarHBondContact O-N 3.41Å; T12-V15 PolarHBondContact O-N 2.93Å; T12-I16 HydrophobicContact CG2-CD1 4.48Å; T12-I16 VanDerWaalsContact O-CG1 3.28Å; T12-I16 WeakPolarHBondContact O-CG1 3.41Å; T12-I16 PolarHBondContact O-N 3.33Å
13	L	77.8	Confident	71.7	Confident	99 Å²	99	108.9 Å²	108.9	52%	0.518	59%	0.593	S	S	.	*	H	α-helix	trans	-66.5	-39.9	177.9	-167.3	71.1	0	0	0	111.4	N9 Y10 V15 I16 C17	N9-L13 PolarHBondContact O-N 2.98Å; Y10-L13 PolarHBondContact O-N 3.31Å; L13-V15 VanDerWaalsContact C-N 3.35Å; L13-I16 PolarHBondContact O-N 3.39Å; L13-C17 WeakPolarHBondContact O-CB 3.32Å; L13-C17 PolarHBondContact O-N 2.84Å; L13-C17 PolarHBondContact O-SG 3.38Å
14	I	83.4	Confident	73.6	Confident	106 Å²	106	106 Å²	106	54%	0.544	57%	0.571	S	S	.	*	H	α-helix	trans	-62.7	-42.9	175.1	-68.1	168.1	0	0	0	110.8	Y10 K11 C17 A18	Y10-I14 HydrophobicContact CD2-CD1 3.83Å; Y10-I14 HydrophobicContact CE2-CD1 4.26Å; Y10-I14 WeakPolarHBondContact O-CG1 3.33Å; Y10-I14 PolarHBondContact O-N 3.47Å; K11-I14 PolarHBondContact O-N 2.94Å; I14-C17 PolarHBondContact O-N 2.79Å; I14-A18 WeakPolarHBondContact O-CB 3.31Å; I14-A18 PolarHBondContact O-N 2.96Å
15	V	84.6	Confident	75.6	Confident	84 Å²	84	101.6 Å²	101.6	51%	0.509	55%	0.551	S	S	.	*	H	α-helix	trans	-64.4	-41	177.5	171.8	0	0	0	0	111.5	K11 T12 L13 A18 L19	K11-V15 VanDerWaalsContact O-CG2 3.31Å; K11-V15 WeakPolarHBondContact O-CG2 3.33Å; K11-V15 PolarHBondContact O-N 2.98Å; K11-V15 VanDerWaalsContact O-N 3.14Å; T12-V15 PolarHBondContact O-N 2.93Å; L13-V15 VanDerWaalsContact C-N 3.35Å; V15-A18 PolarHBondContact O-N 3.45Å; V15-L19 HydrophobicContact CG1-CD1 4.05Å; V15-L19 WeakPolarHBondContact O-CB 3.33Å; V15-L19 PolarHBondContact O-N 2.95Å
16	I	83.6	Confident	77.2	Confident	86 Å²	86	102.4 Å²	102.4	44%	0.441	54%	0.543	S	S	.	.	H	α-helix	trans	-65	-44	176.7	-68.5	165.8	0	0	0	110.9	T12 L13 A18 L19 F20	T12-I16 HydrophobicContact CG2-CD1 4.48Å; T12-I16 VanDerWaalsContact O-CG1 3.28Å; T12-I16 WeakPolarHBondContact O-CG1 3.41Å; T12-I16 PolarHBondContact O-N 3.33Å; L13-I16 PolarHBondContact O-N 3.39Å; I16-A18 PolarHBondContact O-N 3.02Å; I16-L19 PolarHBondContact O-N 2.92Å; I16-F20 PolarHBondContact O-N 3.45Å
17	C	80.9	Confident	78.2	Confident	74 Å²	74	103.6 Å²	103.6	50%	0.5	54%	0.536	S	S	.	.	H	α-helix	trans	-64.6	-38	176.2	-74	0	0	0	0	112.5	L13 I14 F20 T21	L13-C17 WeakPolarHBondContact O-CB 3.32Å; L13-C17 PolarHBondContact O-N 2.84Å; L13-C17 PolarHBondContact O-SG 3.38Å; I14-C17 PolarHBondContact O-N 2.79Å; C17-F20 PolarHBondContact O-N 3.32Å; C17-T21 PolarHBondContact O-N 2.92Å; C17-T21 PolarHBondContact O-OG1 3.49Å
18	A	87.4	Confident	78.4	Confident	54 Å²	54	100.7 Å²	100.7	45%	0.446	53%	0.526	S	S	.	.	H	α-helix	trans	-66.3	-39.8	175.2	0	0	0	0	0	111.9	I14 V15 I16 T21 L22	I14-A18 WeakPolarHBondContact O-CB 3.31Å; I14-A18 PolarHBondContact O-N 2.96Å; V15-A18 PolarHBondContact O-N 3.45Å; I16-A18 PolarHBondContact O-N 3.02Å; A18-T21 WeakPolarHBondContact CA-OG1 3.31Å; A18-T21 PolarHBondContact O-OG1 3.33Å; A18-L22 WeakPolarHBondContact O-CB 3.45Å; A18-L22 PolarHBondContact O-N 2.75Å
19	L	86.2	Confident	78.2	Confident	95 Å²	95	100.8 Å²	100.8	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-65.2	-43.4	174.1	-96.9	152.9	0	0	0	111.9	V15 I16 L22 I23	V15-L19 HydrophobicContact CG1-CD1 4.05Å; V15-L19 WeakPolarHBondContact O-CB 3.33Å; V15-L19 PolarHBondContact O-N 2.95Å; I16-L19 PolarHBondContact O-N 2.92Å; L19-L22 PolarHBondContact O-N 2.98Å; L19-I23 VanDerWaalsContact O-CG1 3.27Å; L19-I23 WeakPolarHBondContact O-CG1 3.27Å; L19-I23 PolarHBondContact O-N 3.38Å
20	F	85.9	Confident	77	Confident	148 Å²	148	106.9 Å²	106.9	65%	0.649	54%	0.539	S	S	*	.	H	α-helix	trans	-63.3	-46.7	177.9	-121.2	-86.7	0	0	0	111.3	I16 C17 L22 I23 T24	I16-F20 PolarHBondContact O-N 3.45Å; C17-F20 PolarHBondContact O-N 3.32Å; F20-L22 PolarHBondContact O-N 2.98Å; F20-I23 PolarHBondContact O-N 2.93Å; F20-T24 PolarHBondContact O-N 3.34Å; F20-T24 PolarHBondContact O-OG1 3.14Å
21	T	84.4	Confident	75.7	Confident	86 Å²	86	104.8 Å²	104.8	53%	0.528	55%	0.546	S	S	.	.	H	α-helix	trans	-63.2	-39	177.2	41	0	0	0	0	112.6	C17 A18 T24 V25	C17-T21 PolarHBondContact O-N 2.92Å; C17-T21 PolarHBondContact O-OG1 3.49Å; A18-T21 WeakPolarHBondContact CA-OG1 3.31Å; A18-T21 PolarHBondContact O-OG1 3.33Å; T21-T24 PolarHBondContact O-N 3.38Å; T21-V25 VanDerWaalsContact O-CG2 3.32Å; T21-V25 WeakPolarHBondContact O-CG2 3.44Å; T21-V25 PolarHBondContact O-N 2.88Å
22	L	85.3	Confident	74.2	Confident	102 Å²	102	102.8 Å²	102.8	53%	0.534	55%	0.548	S	S	.	.	H	α-helix	trans	-63	-42.5	174.5	-172.3	70.4	0	0	0	111.9	A18 L19 F20 V25 L26	A18-L22 WeakPolarHBondContact O-CB 3.45Å; A18-L22 PolarHBondContact O-N 2.75Å; L19-L22 PolarHBondContact O-N 2.98Å; F20-L22 PolarHBondContact O-N 2.98Å; L22-V25 PolarHBondContact O-N 3.34Å; L22-L26 HydrophobicContact CG-CD1 4.09Å; L22-L26 WeakPolarHBondContact O-CB 3.34Å; L22-L26 VanDerWaalsContact O-CG 3.25Å; L22-L26 WeakPolarHBondContact O-CG 3.28Å; L22-L26 PolarHBondContact O-N 2.85Å
23	I	84.6	Confident	72.5	Confident	83 Å²	83	110.1 Å²	110.1	43%	0.426	57%	0.567	S	S	.	*	H	α-helix	trans	-63.1	-43.3	176.1	-69.8	166.1	0	0	0	110.6	L19 F20 V25 L26 L27	L19-I23 VanDerWaalsContact O-CG1 3.27Å; L19-I23 WeakPolarHBondContact O-CG1 3.27Å; L19-I23 PolarHBondContact O-N 3.38Å; F20-I23 PolarHBondContact O-N 2.93Å; I23-V25 PolarHBondContact O-N 2.88Å; I23-L26 PolarHBondContact O-N 3.42Å; I23-L27 HydrophobicContact CG2-CD1 3.8Å; I23-L27 HydrophobicContact CG2-CG 4.4Å; I23-L27 WeakPolarHBondContact O-CB 3.48Å; I23-L27 VanDerWaalsContact O-CG 3.31Å; I23-L27 WeakPolarHBondContact O-CG 3.26Å; I23-L27 PolarHBondContact O-N 3.04Å
24	T	78.2	Confident	70.4	Confident	74 Å²	74	112 Å²	112	45%	0.454	58%	0.578	S	S	.	*	H	α-helix	trans	-63.6	-41.3	178	-37	0	0	0	0	111.7	F20 T21 L27 W28	F20-T24 PolarHBondContact O-N 3.34Å; F20-T24 PolarHBondContact O-OG1 3.14Å; T21-T24 PolarHBondContact O-N 3.38Å; T24-L27 PolarHBondContact O-N 3.27Å; T24-W28 WeakPolarHBondContact O-CB 3.46Å; T24-W28 PolarHBondContact O-N 3.18Å
25	V	79.4	Confident	67.9	Low	80 Å²	80	114.2 Å²	114.2	49%	0.485	59%	0.589	S	S	.	*	H	α-helix	trans	-67.5	-39.2	177.1	171.2	0	0	0	0	111.7	T21 L22 I23 W28 N29	T21-V25 VanDerWaalsContact O-CG2 3.32Å; T21-V25 WeakPolarHBondContact O-CG2 3.44Å; T21-V25 PolarHBondContact O-N 2.88Å; L22-V25 PolarHBondContact O-N 3.34Å; I23-V25 PolarHBondContact O-N 2.88Å; V25-W28 PolarHBondContact O-N 3.45Å; V25-N29 WeakPolarHBondContact O-CB 3.35Å; V25-N29 PolarHBondContact O-N 2.96Å
26	L	74.7	Confident	65.3	Low	107 Å²	107	115.5 Å²	115.5	56%	0.56	60%	0.602	S	S	*	*	H	α-helix	trans	-67.4	-38.1	176.7	-73.4	170.2	0	0	0	112.3	L22 I23 R30	L22-L26 HydrophobicContact CG-CD1 4.09Å; L22-L26 WeakPolarHBondContact O-CB 3.34Å; L22-L26 VanDerWaalsContact O-CG 3.25Å; L22-L26 WeakPolarHBondContact O-CG 3.28Å; L22-L26 PolarHBondContact O-N 2.85Å; I23-L26 PolarHBondContact O-N 3.42Å; L26-R30 PolarHBondContact O-N 3.5Å; L26-R30 VanDerWaalsContact O-N 3.15Å
27	L	71.7	Confident	62.9	Low	109 Å²	109	118.5 Å²	118.5	57%	0.571	62%	0.617	S	S	*	*	H	α-helix	trans	-69	-39.4	174.4	-71.5	169.9	0	0	0	111.6	I23 T24 R30 C31	I23-L27 HydrophobicContact CG2-CD1 3.8Å; I23-L27 HydrophobicContact CG2-CG 4.4Å; I23-L27 WeakPolarHBondContact O-CB 3.48Å; I23-L27 VanDerWaalsContact O-CG 3.31Å; I23-L27 WeakPolarHBondContact O-CG 3.26Å; I23-L27 PolarHBondContact O-N 3.04Å; T24-L27 PolarHBondContact O-N 3.27Å; L27-R30 PolarHBondContact O-N 3.37Å; L27-C31 PolarHBondContact O-N 3.22Å
28	W	61.6	Low	60.2	Low	188 Å²	188	126.9 Å²	126.9	71%	0.712	64%	0.639	S	S	*	*	H	α-helix	trans	-66	-40.4	176.7	-159.4	-75.7	0	0	0	112.5	T24 V25 R30 C31 S32	T24-W28 WeakPolarHBondContact O-CB 3.46Å; T24-W28 PolarHBondContact O-N 3.18Å; V25-W28 PolarHBondContact O-N 3.45Å; W28-R30 VanDerWaalsContact C-N 3.32Å; W28-R30 PolarHBondContact O-N 3.02Å; W28-C31 PolarHBondContact O-N 3.43Å; W28-S32 PolarHBondContact O-N 3.37Å
29	N	56.4	Low	57.4	Low	101 Å²	101	133 Å²	133	54%	0.54	66%	0.656	S	S	.	*	H	α-helix	trans	-72.2	-22	176.7	-83.3	-25.7	0	0	0	113.5	V25	V25-N29 WeakPolarHBondContact O-CB 3.35Å; V25-N29 PolarHBondContact O-N 2.96Å
30	R	49	Very low	54.7	Low	218 Å²	218	135.9 Å²	135.9	82%	0.823	67%	0.67	S	S	*	*	H	α-helix	trans	-77.4	-27.6	170.4	-97.5	-165.6	168.8	-170.1	-2.2	113.4	L26 L27 W28	L26-R30 PolarHBondContact O-N 3.5Å; L26-R30 VanDerWaalsContact O-N 3.15Å; L27-R30 PolarHBondContact O-N 3.37Å; W28-R30 VanDerWaalsContact C-N 3.32Å; W28-R30 PolarHBondContact O-N 3.02Å
31	C	44.3	Very low	52.1	Low	109 Å²	109	134.4 Å²	134.4	74%	0.736	68%	0.676	S	S	*	*	H	α-helix	trans	-83.7	-9.7	177.2	-72.1	0	0	0	0	114.5	L27 W28	L27-C31 PolarHBondContact O-N 3.22Å; W28-C31 PolarHBondContact O-N 3.43Å
32	S	41.9	Very low	49.9	Very low	85 Å²	85	142.4 Å²	142.4	59%	0.594	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	7	-177.9	-68.6	0	0	0	0	115.1	W28	W28-S32 PolarHBondContact O-N 3.37Å
33	R	40.6	Very low	47.1	Very low	224 Å²	224	142.1 Å²	142.1	85%	0.845	71%	0.709	S	S	*	*	S	Bend	trans	-111.1	3.5	-174.4	-102.6	-176.2	173.7	-173.6	-1.6	117.4
34	D	33.9	Very low	45	Very low	139 Å²	139	142.5 Å²	142.5	74%	0.743	72%	0.724	S	S	*	*	S	Bend	trans	-140.5	122.1	171.8	-80	-41.5	0	0	0	107
35	I	31.3	Very low	42.4	Very low	153 Å²	153	148.7 Å²	148.7	79%	0.785	75%	0.745	S	S	*	*			cis	-161.7	138.5	23	-92.3	147.3	0	0	0	108.2
36	S	29.9	Very low	40.1	Very low	110 Å²	110	151 Å²	151	77%	0.769	76%	0.759	S	S	*	*			trans	-73.1	142.4	168.6	43.5	0	0	0	0	113.3
37	I	32.3	Very low	37.8	Very low	149 Å²	149	152.3 Å²	152.3	76%	0.764	77%	0.771	S	S	*	*			trans	-69.2	130.7	175.4	-62.7	166.3	0	0	0	111.7	F39	I37-F39 HydrophobicContact CG2-CD2 4.37Å
38	R	26	Very low	35.6	Very low	251 Å²	251	152.8 Å²	152.8	95%	0.947	78%	0.78	S	S	*	*			trans	-147.4	144.5	148	-83.2	-164	177.8	177.1	-0.9	111.6
39	F	28	Very low	34.1	Very low	183 Å²	183	149 Å²	149	80%	0.803	78%	0.783	S	S	*	*			trans	-95.1	152.3	-167.9	-105.3	-93.8	0	0	0	114.4	I37	I37-F39 HydrophobicContact CG2-CD2 4.37Å
40	L	29.6	Very low	32.7	Very low	154 Å²	154	149.1 Å²	149.1	81%	0.806	80%	0.798	S	S	*	*			trans	79.9	154.2	154.8	-66.6	163.1	0	0	0	120
41	P	31.2	Very low	31.5	Very low	118 Å²	118	148.1 Å²	148.1	77%	0.766	80%	0.799	S	S	*	*			cis	-125.9	173.3	-10	34	-14.1	0	0	0	114.7
42	R	38.3	Very low	30.7	Very low	254 Å²	254	150.9 Å²	150.9	96%	0.958	81%	0.805	S	S	*	*			trans	-70.3	126.8	-178.4	-165.2	-176.4	-164.2	-179.1	4.1	112.6
43	A	26.6	Very low	29.9	Very low	96 Å²	96	152 Å²	152	79%	0.793	81%	0.813	S	S	*	*			trans	-165.4	144.7	146	0	0	0	0	0	111.5
44	A	39.4	Very low	29.4	Very low	90 Å²	90	146.6 Å²	146.6	74%	0.744	81%	0.809	S	S	*	*			trans	-56.1	144.8	-170.1	0	0	0	0	0	115.1
45	F	24.7	Very low	29.1	Very low	205 Å²	205	145.4 Å²	145.4	90%	0.899	81%	0.812	S	S	*	*			trans	-147.3	130.7	151.6	-98.9	-76.9	0	0	0	114.2
46	V	30.3	Very low	29.1	Very low	128 Å²	128	147.6 Å²	147.6	78%	0.776	82%	0.819	S	S	*	*			trans	-50.2	142.8	161	174.6	0	0	0	0	111
47	V	27.8	Very low	29.1	Very low	134 Å²	134	151.5 Å²	151.5	81%	0.812	83%	0.825	S	S	*	*			trans	-109.6	130.1	167.4	179.2	0	0	0	0	109.8
48	P	25.4	Very low	29.2	Very low	119 Å²	119	152 Å²	152	77%	0.773	82%	0.824	S	S	*	*			trans	-87.2	164.2	179.2	7.9	10.7	0	0	0	114.4
49	S	29.4	Very low	29.8	Very low	108 Å²	108	145.1 Å²	145.1	76%	0.755	81%	0.812	S	S	*	*			trans	-69.8	148.5	-171.8	-174.7	0	0	0	0	116.2
50	A	26.1	Very low	30.3	Very low	104 Å²	104	142.7 Å²	142.7	86%	0.86	82%	0.815	S	S	*	*			trans	-142.1	133.1	146.3	0	0	0	0	0	110.7
51	K	25.2	Very low	30.9	Very low	197 Å²	197	141.7 Å²	141.7	86%	0.857	81%	0.806	S	S	*	*			trans	-77.5	140.4	-159.3	-66.8	161.7	172.7	176	0	114.2
52	I	26.1	Very low	31.8	Very low	168 Å²	168	141.2 Å²	141.2	86%	0.862	80%	0.803	S	S	*	*			trans	-128.6	135.3	144.9	-62.8	177.9	0	0	0	107.4
53	S	25.4	Very low	32.3	Very low	107 Å²	107	135.2 Å²	135.2	75%	0.748	80%	0.797	S	S	*	*			trans	-70.1	116.5	-166.6	47.5	0	0	0	0	115.1
54	S	31.5	Very low	33.1	Very low	111 Å²	111	138.4 Å²	138.4	78%	0.776	80%	0.795	S	S	*	*			trans	14.4	105.5	141.6	59.5	0	0	0	0	121.4
55	S	26	Very low	33.2	Very low	114 Å²	114	139.4 Å²	139.4	80%	0.797	79%	0.794	S	S	*	*				-140.7	108.1	125.7	57.5	0	0	0	0	107.2	Q57	S55-Q57 PolarHBondContact O-N 3.08Å
56	Q	31.3	Very low	33.9	Very low	199 Å²	199	135.1 Å²	135.1	93%	0.93	79%	0.787	S	S	*	*			trans	-64.3	114.2	-170.3	-72.3	174.9	-18.1	0	0	111.7
57	Q	31.5	Very low	34.2	Very low	192 Å²	192	134.1 Å²	134.1	90%	0.897	78%	0.783	S	S	*	*			trans	-117.1	112.8	156.1	-82.8	-179.6	-14.8	0	0	107.7	S55	S55-Q57 PolarHBondContact O-N 3.08Å
58	Q	33.2	Very low	35.1	Very low	161 Å²	161	134.9 Å²	134.9	75%	0.752	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-66.9	149.9	177.2	-110.3	165.4	-32.8	0	0	111.2
59	P	39.5	Very low	35.9	Very low	105 Å²	105	134.9 Å²	134.9	68%	0.682	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-59.4	145.8	163.9	-11.9	25.6	0	0	0	110	Q61	P59-Q61 PolarHBondContact O-N 3.29Å
60	P	38.8	Very low	36.3	Very low	133 Å²	133	132.7 Å²	132.7	86%	0.864	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-63.5	116.1	-179.4	24.4	-30.1	0	0	0	109.8
61	Q	41.7	Very low	37.2	Very low	132 Å²	132	131.8 Å²	131.8	62%	0.617	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-62.7	151.2	169.8	-75.4	-177.6	-32.4	0	0	110.1	P59	P59-Q61 PolarHBondContact O-N 3.29Å
62	P	50.4	Low	38	Very low	109 Å²	109	129.5 Å²	129.5	71%	0.708	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-56.3	138.4	162.5	24.9	-30.4	0	0	0	108.4	E64	P62-E64 PolarHBondContact O-N 3.4Å; P62-E64 VanDerWaalsContact O-N 3.13Å
63	P	48.8	Very low	39.3	Very low	128 Å²	128	125.3 Å²	125.3	83%	0.831	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-56.9	125.1	-179.9	14.5	-20	0	0	0	109.3
64	E	41.7	Very low	40.8	Very low	162 Å²	162	122.5 Å²	122.5	76%	0.757	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-56.6	141.6	172.6	-83.4	-179.1	152	0	0	109.6	P62	P62-E64 PolarHBondContact O-N 3.4Å; P62-E64 VanDerWaalsContact O-N 3.13Å
65	P	42	Very low	42.2	Very low	111 Å²	111	122.5 Å²	122.5	72%	0.721	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-60.3	133.9	171.2	26.2	-31.2	0	0	0	108.3
66	P	40	Very low	45	Very low	115 Å²	115	124.8 Å²	124.8	75%	0.747	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-60.5	144.6	-178.5	23.9	-31.6	0	0	0	110.1	V68	P66-V68 PolarHBondContact O-N 3.22Å
67	P	36.4	Very low	47.8	Very low	107 Å²	107	122.1 Å²	122.1	70%	0.695	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-60.8	138.9	177.5	24.3	-31.4	0	0	0	109.8	V69	P67-V69 VanDerWaalsContact C-N 3.31Å; P67-V69 PolarHBondContact O-N 2.85Å
68	V	47.3	Very low	50.8	Low	150 Å²	150	117.1 Å²	117.1	91%	0.909	71%	0.706	S	S	*	*			trans	-64.9	96.8	166.7	178.7	0	0	0	0	106.8	P66 G70	P66-V68 PolarHBondContact O-N 3.22Å; V68-G70 PolarHBondContact O-N 3.32Å
69	V	42.3	Very low	53.8	Low	119 Å²	119	114.2 Å²	114.2	72%	0.721	69%	0.692	S	S	*	*			trans	-71.7	111.1	178.4	-177.8	0	0	0	0	108.2	P67 A71	P67-V69 VanDerWaalsContact C-N 3.31Å; P67-V69 PolarHBondContact O-N 2.85Å; V69-A71 PolarHBondContact O-N 3.42Å
70	G	38.2	Very low	56.6	Low	62 Å²	62	111.6 Å²	111.6	64%	0.639	67%	0.672	S	S	*	*			trans	-56.9	122.7	162.5	0	0	0	0	0	109.5	V68 V72	V68-G70 PolarHBondContact O-N 3.32Å; G70-V72 PolarHBondContact O-N 2.67Å
71	A	44.9	Very low	59.4	Low	85 Å²	85	109.9 Å²	109.9	70%	0.702	66%	0.655	S	S	*	*			trans	-56.4	122.8	-175.9	0	0	0	0	0	112.6	V69	V69-A71 PolarHBondContact O-N 3.42Å
72	V	41.3	Very low	62.1	Low	149 Å²	149	104.4 Å²	104.4	90%	0.903	63%	0.631	S	S	*	*	S	Bend	trans	-133.1	109.4	158	-173.5	0	0	0	0	106.8	G70	G70-V72 PolarHBondContact O-N 2.67Å
73	G	53	Low	64.3	Low	81 Å²	81	104.8 Å²	104.8	84%	0.835	62%	0.622	S	S	*	*	S	Bend	trans	91.6	26.9	-175.8	0	0	0	0	0	115.4	I75	G73-I75 PolarHBondContact O-N 2.97Å
74	G	57.2	Low	66.7	Low	48 Å²	48	99.7 Å²	99.7	50%	0.495	59%	0.588	S	S	.	*			trans	-52.9	115.4	-153.6	0	0	0	0	0	117.1	K76	G74-K76 PolarHBondContact O-N 2.9Å; G74-K76 VanDerWaalsContact O-N 3.13Å
75	I	61.5	Low	69.3	Low	110 Å²	110	96.7 Å²	96.7	56%	0.564	58%	0.577	S	S	*	*			trans	-56	115.7	156.2	-60	175.3	0	0	0	106.7	G73 Y77 E95 G96	G73-I75 PolarHBondContact O-N 2.97Å; I75-Y77 PolarHBondContact O-N 3.21Å; I75-E95 HydrophobicContact CB-CG 4.34Å; I75-E95 VanDerWaalsContact CG2-C 3.42Å; I75-E95 HydrophobicContact CG2-CB 4.3Å; I75-E95 HydrophobicContact CG2-CG 3.52Å; I75-G96 VanDerWaalsContact CG2-CA 3.44Å
76	K	83.2	Confident	72	Confident	162 Å²	162	97.9 Å²	97.9	70%	0.704	58%	0.577	S	S	*	*			trans	-75.8	127.7	-178.6	-71.5	-176.8	180	177.7	0	109.1	G74 E78 R94	G74-K76 PolarHBondContact O-N 2.9Å; G74-K76 VanDerWaalsContact O-N 3.13Å; K76-E78 PolarHBondContact O-N 2.78Å; K76-R94 VanDerWaalsContact O-O 3.13Å
77	Y	91.4	Very high	74.7	Confident	143 Å²	143	100.5 Å²	100.5	56%	0.561	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.1	104.3	163.6	-176.4	-106.4	0	0	0	108.3	I75 R93 R94	I75-Y77 PolarHBondContact O-N 3.21Å; Y77-R93 HydrophobicContact CD2-CB 4.35Å; Y77-R93 HydrophobicContact CE1-CB 4.42Å; Y77-R93 HydrophobicContact CE1-CG 4.09Å; Y77-R93 HydrophobicContact CE2-CB 3.52Å; Y77-R93 HydrophobicContact CE2-CG 4.01Å; Y77-R93 VanDerWaalsContact CZ-CD 3.49Å; Y77-R93 WeakPolarHBondContact OH-CG 3.27Å; Y77-R94 WeakPolarHBondContact CA-O 3.43Å
78	E	93.9	Very high	77.5	Confident	88 Å²	88	98 Å²	98	41%	0.411	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.9	152.1	-173.9	64.8	-174.9	-170.7	0	0	112.1	K76 R93 R94	K76-E78 PolarHBondContact O-N 2.78Å; E78-R93 CarbonylContact O-C 3.54Å; E78-R93 WeakPolarHBondContact O-CA 3.49Å; E78-R94 HydrophobicContact CG-CB 4Å; E78-R94 PolarHBondContact N-O 2.83Å; E78-R94 PolarHBondContact O-N 3.23Å; E78-R94 IonicContact OE1-NH1 2.69Å
79	E	96.6	Very high	80	Confident	100 Å²	100	94.9 Å²	94.9	47%	0.467	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	138.6	170.5	179.6	164.9	113.9	0	0	109.9	K91 R93	E79-K91 HydrophobicContact CG-CB 4.42Å; E79-K91 HydrophobicContact CG-CD 4.18Å; E79-K91 VanDerWaalsContact OE1-CD 3.29Å; E79-K91 WeakPolarHBondContact OE1-CD 3.3Å; E79-K91 VanDerWaalsContact OE1-CE 3.32Å; E79-K91 WeakPolarHBondContact OE1-CE 3.37Å; E79-K91 IonicContact OE1-NZ 3.13Å; E79-K91 PolarHBondContact OE1-NZ 2.9Å; E79-R93 VanDerWaalsContact CG-NH1 3.34Å; E79-R93 IonicContact OE2-CZ 3.65Å; E79-R93 IonicContact OE2-NH1 3.96Å; E79-R93 PolarHBondContact OE2-NH1 3.35Å; E79-R93 IonicContact OE2-NH2 3.48Å; E79-R93 PolarHBondContact OE2-NH2 3.49Å
80	I	97.1	Very high	82.6	Confident	49 Å²	49	90.7 Å²	90.7	25%	0.251	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.4	176.5	-171.9	168	0	0	0	109.8	G92 R94 I99	I80-G92 PolarHBondContact N-O 2.86Å; I80-G92 PolarHBondContact O-N 2.71Å; I80-R94 HydrophobicContact CB-CB 4.39Å; I80-R94 HydrophobicContact CG2-CB 4.09Å; I80-I99 HydrophobicContact CD1-CD1 4.02Å; I80-I99 HydrophobicContact CG2-CD1 4.26Å
81	D	98.2	Very high	85.5	Confident	98 Å²	98	92.9 Å²	92.9	52%	0.524	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	122.2	171.1	-76	-22.6	0	0	0	110.1	T89 K91	D81-T89 HydrophobicContact CB-CG2 3.67Å; D81-K91 VanDerWaalsContact OD1-CD 3.25Å; D81-K91 WeakPolarHBondContact OD1-CD 3.48Å; D81-K91 WeakPolarHBondContact OD1-CE 3.34Å; D81-K91 IonicContact OD1-NZ 3.98Å; D81-K91 PolarHBondContact OD1-NZ 3.25Å; D81-K91 IonicContact OD2-NZ 3.7Å
82	C	98	Very high	88	Confident	16 Å²	16	88.9 Å²	88.9	11%	0.108	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	109.5	174.7	-61.8	0	0	0	0	109	I84 T89 I90 L101	C82-I84 HydrophobicContact CB-CD1 4.27Å; C82-T89 WeakPolarHBondContact O-CA 3.18Å; C82-I90 HydrophobicContact CB-CD1 4.49Å; C82-I90 HydrophobicContact CB-CG1 3.8Å; C82-I90 PolarHBondContact N-O 2.78Å; C82-I90 PolarHBondContact O-N 2.68Å; C82-L101 HydrophobicContact CB-CD2 4.05Å; C82-L101 VanDerWaalsContact SG-CD2 3.56Å
83	F	98	Very high	90.7	Very high	118 Å²	118	85.7 Å²	85.7	52%	0.518	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	114.3	178.2	-167.7	-143	0	0	0	110.2	D86 S88 T89	F83-D86 HydrophobicContact CE1-CB 4Å; F83-D86 HydrophobicContact CZ-CB 4.22Å; F83-D86 VanDerWaalsContact CZ-O 3.27Å; F83-D86 WeakPolarHBondContact CZ-O 3.5Å; F83-S88 WeakPolarHBondContact CD2-O 3.48Å; F83-T89 WeakPolarHBondContact CD2-OG1 3.45Å
84	I	98.1	Very high	92.7	Very high	21 Å²	21	86.5 Å²	86.5	11%	0.108	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117.4	-171.6	-52.9	-55.2	0	0	0	109.2	C82 D86 E87 S88 I90 W105 Y109	C82-I84 HydrophobicContact CB-CD1 4.27Å; I84-D86 PolarHBondContact O-N 3.43Å; I84-D86 VanDerWaalsContact O-N 3.11Å; I84-E87 PolarHBondContact O-N 2.98Å; I84-S88 PolarHBondContact N-O 3.37Å; I84-S88 PolarHBondContact O-N 3.06Å; I84-I90 HydrophobicContact CD1-CD1 4.1Å; I84-I90 HydrophobicContact CD1-CG1 4.32Å; I84-I90 HydrophobicContact CG1-CD1 4.16Å; I84-I90 HydrophobicContact CG1-CG1 4.19Å; I84-W105 HydrophobicContact CB-CZ2 4.49Å; I84-W105 HydrophobicContact CD1-CH2 4.26Å; I84-W105 HydrophobicContact CD1-CZ2 3.86Å; I84-W105 HydrophobicContact CG1-CZ2 4Å; I84-W105 HydrophobicContact CG2-CZ2 3.68Å; I84-Y109 HydrophobicContact CG2-CE2 4.22Å
85	N	97.2	Very high	94.6	Very high	99 Å²	99	88.2 Å²	88.2	53%	0.529	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	35.5	176	-53.9	-42.1	0	0	0	114.5	E87 Y109	N85-E87 PolarHBondContact O-N 3.15Å; N85-E87 VanDerWaalsContact O-N 3.15Å; N85-Y109 PolarHBondContact ND2-OH 2.92Å
86	D	97.4	Very high	96	Very high	136 Å²	136	84.5 Å²	84.5	73%	0.727	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	20.1	-178.2	-52.9	-45.2	0	0	0	115.9	F83 I84	F83-D86 HydrophobicContact CE1-CB 4Å; F83-D86 HydrophobicContact CZ-CB 4.22Å; F83-D86 VanDerWaalsContact CZ-O 3.27Å; F83-D86 WeakPolarHBondContact CZ-O 3.5Å; I84-D86 PolarHBondContact O-N 3.43Å; I84-D86 VanDerWaalsContact O-N 3.11Å
87	E	96.9	Very high	96.4	Very high	169 Å²	169	80.4 Å²	80.4	79%	0.79	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	-42.4	-174.4	-74.3	179.2	-173.7	0	0	113.8	I84 N85	I84-E87 PolarHBondContact O-N 2.98Å; N85-E87 PolarHBondContact O-N 3.15Å; N85-E87 VanDerWaalsContact O-N 3.15Å
88	S	96.6	Very high	96.7	Very high	56 Å²	56	79 Å²	79	39%	0.392	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144.6	-171.2	63.1	0	0	0	0	112.3	F83 I84	F83-S88 WeakPolarHBondContact CD2-O 3.48Å; I84-S88 PolarHBondContact N-O 3.37Å; I84-S88 PolarHBondContact O-N 3.06Å
89	T	98.1	Very high	96.9	Very high	84 Å²	84	78.2 Å²	78.2	52%	0.515	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.5	176.6	-58.8	0	0	0	0	110	D81 C82 F83	D81-T89 HydrophobicContact CB-CG2 3.67Å; C82-T89 WeakPolarHBondContact O-CA 3.18Å; F83-T89 WeakPolarHBondContact CD2-OG1 3.45Å
90	I	98.1	Very high	96.9	Very high	30 Å²	30	78.5 Å²	78.5	15%	0.154	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	160.2	172.6	69.1	175.9	0	0	0	110.6	C82 I84 L101 P102 W105	C82-I90 HydrophobicContact CB-CD1 4.49Å; C82-I90 HydrophobicContact CB-CG1 3.8Å; C82-I90 PolarHBondContact N-O 2.78Å; C82-I90 PolarHBondContact O-N 2.68Å; I84-I90 HydrophobicContact CD1-CD1 4.1Å; I84-I90 HydrophobicContact CD1-CG1 4.32Å; I84-I90 HydrophobicContact CG1-CD1 4.16Å; I84-I90 HydrophobicContact CG1-CG1 4.19Å; I90-L101 HydrophobicContact CD1-CD2 4.44Å; I90-P102 HydrophobicContact CD1-CG 4.19Å; I90-W105 HydrophobicContact CD1-CB 3.91Å; I90-W105 HydrophobicContact CD1-CD2 3.54Å; I90-W105 HydrophobicContact CD1-CE3 4.01Å; I90-W105 HydrophobicContact CD1-CG 3.47Å; I90-W105 VanDerWaalsContact CD1-CG 3.47Å; I90-W105 HydrophobicContact CG2-CG 4.39Å
91	K	98.2	Very high	97	Very high	108 Å²	108	79.7 Å²	79.7	47%	0.47	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	111.1	175.6	-60.7	-53.3	-166.1	164.9	0	110.9	E79 D81 P102	E79-K91 HydrophobicContact CG-CB 4.42Å; E79-K91 HydrophobicContact CG-CD 4.18Å; E79-K91 VanDerWaalsContact OE1-CD 3.29Å; E79-K91 WeakPolarHBondContact OE1-CD 3.3Å; E79-K91 VanDerWaalsContact OE1-CE 3.32Å; E79-K91 WeakPolarHBondContact OE1-CE 3.37Å; E79-K91 IonicContact OE1-NZ 3.13Å; E79-K91 PolarHBondContact OE1-NZ 2.9Å; D81-K91 VanDerWaalsContact OD1-CD 3.25Å; D81-K91 WeakPolarHBondContact OD1-CD 3.48Å; D81-K91 WeakPolarHBondContact OD1-CE 3.34Å; D81-K91 IonicContact OD1-NZ 3.98Å; D81-K91 PolarHBondContact OD1-NZ 3.25Å; D81-K91 IonicContact OD2-NZ 3.7Å; K91-P102 WeakPolarHBondContact O-CD 3.28Å; K91-P102 WeakPolarHBondContact O-CG 3.46Å
92	G	97.4	Very high	97	Very high	1 Å²	1	77 Å²	77	1%	0.01	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-171.9	171.8	0	0	0	0	0	112.4	I80 Y100	I80-G92 PolarHBondContact N-O 2.86Å; I80-G92 PolarHBondContact O-N 2.71Å; G92-Y100 WeakPolarHBondContact CA-O 3.18Å
93	R	97.8	Very high	97	Very high	82 Å²	82	78.7 Å²	78.7	31%	0.309	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.9	173.8	-63.1	-75.2	-175.1	-94.8	11.2	109.4	Y77 E78 E79 Y100	Y77-R93 HydrophobicContact CD2-CB 4.35Å; Y77-R93 HydrophobicContact CE1-CB 4.42Å; Y77-R93 HydrophobicContact CE1-CG 4.09Å; Y77-R93 HydrophobicContact CE2-CB 3.52Å; Y77-R93 HydrophobicContact CE2-CG 4.01Å; Y77-R93 VanDerWaalsContact CZ-CD 3.49Å; Y77-R93 WeakPolarHBondContact OH-CG 3.27Å; E78-R93 CarbonylContact O-C 3.54Å; E78-R93 WeakPolarHBondContact O-CA 3.49Å; E79-R93 VanDerWaalsContact CG-NH1 3.34Å; E79-R93 IonicContact OE2-CZ 3.65Å; E79-R93 IonicContact OE2-NH1 3.96Å; E79-R93 PolarHBondContact OE2-NH1 3.35Å; E79-R93 IonicContact OE2-NH2 3.48Å; E79-R93 PolarHBondContact OE2-NH2 3.49Å; R93-Y100 PolarHBondContact N-O 3.23Å; R93-Y100 PolarHBondContact O-N 3.09Å
94	R	96.3	Very high	97	Very high	99 Å²	99	76.9 Å²	76.9	37%	0.374	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.6	179.6	178.7	176.2	-175.4	-173.9	6.8	109.8	K76 Y77 E78 I80 G96 E98 I99	K76-R94 VanDerWaalsContact O-O 3.13Å; Y77-R94 WeakPolarHBondContact CA-O 3.43Å; E78-R94 HydrophobicContact CG-CB 4Å; E78-R94 PolarHBondContact N-O 2.83Å; E78-R94 PolarHBondContact O-N 3.23Å; E78-R94 IonicContact OE1-NH1 2.69Å; I80-R94 HydrophobicContact CB-CB 4.39Å; I80-R94 HydrophobicContact CG2-CB 4.09Å; R94-G96 PolarHBondContact NE-O 2.74Å; R94-G96 PolarHBondContact NH2-O 3.32Å; R94-E98 WeakPolarHBondContact CA-O 3.19Å; R94-I99 HydrophobicContact CB-CD1 3.81Å; R94-I99 HydrophobicContact CG-CD1 3.72Å
95	E	96.3	Very high	97	Very high	83 Å²	83	77.9 Å²	77.9	39%	0.388	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	94.8	170.4	-167.4	178.5	-179.5	0	0	107.9	I75 G97 E98 Y100	I75-E95 HydrophobicContact CB-CG 4.34Å; I75-E95 VanDerWaalsContact CG2-C 3.42Å; I75-E95 HydrophobicContact CG2-CB 4.3Å; I75-E95 HydrophobicContact CG2-CG 3.52Å; E95-G97 PolarHBondContact O-N 2.9Å; E95-G97 VanDerWaalsContact O-N 3.17Å; E95-E98 PolarHBondContact N-O 3.3Å; E95-E98 PolarHBondContact O-N 3.18Å; E95-E98 VanDerWaalsContact O-N 3.15Å; E95-Y100 HydrophobicContact CB-CE2 3.85Å; E95-Y100 PolarHBondContact OE2-OH 2.87Å
96	G	91	Very high	97	Very high	33 Å²	33	74.5 Å²	74.5	34%	0.34	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	-113	-178.9	0	0	0	0	0	111.3	I75 R94	I75-G96 VanDerWaalsContact CG2-CA 3.44Å; R94-G96 PolarHBondContact NE-O 2.74Å; R94-G96 PolarHBondContact NH2-O 3.32Å
97	G	92.7	Very high	97	Very high	76 Å²	76	71.7 Å²	71.7	78%	0.784	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-16.1	176.2	0	0	0	0	0	114.5	E95	E95-G97 PolarHBondContact O-N 2.9Å; E95-G97 VanDerWaalsContact O-N 3.17Å
98	E	97.1	Very high	97.1	Very high	114 Å²	114	71.6 Å²	71.6	53%	0.533	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	142.4	-173.5	-164	63.5	-153.7	0	0	111.5	R94 E95 Y100	R94-E98 WeakPolarHBondContact CA-O 3.19Å; E95-E98 PolarHBondContact N-O 3.3Å; E95-E98 PolarHBondContact O-N 3.18Å; E95-E98 VanDerWaalsContact O-N 3.15Å; E98-Y100 HydrophobicContact CB-CE2 4.05Å; E98-Y100 HydrophobicContact CG-CD2 4.45Å; E98-Y100 HydrophobicContact CG-CE1 4.23Å; E98-Y100 HydrophobicContact CG-CE2 3.87Å
99	I	97.3	Very high	97.1	Very high	70 Å²	70	74.2 Å²	74.2	36%	0.359	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.9	176	-55.9	-64.7	0	0	0	109.3	I80 R94 L101	I80-I99 HydrophobicContact CD1-CD1 4.02Å; I80-I99 HydrophobicContact CG2-CD1 4.26Å; R94-I99 HydrophobicContact CB-CD1 3.81Å; R94-I99 HydrophobicContact CG-CD1 3.72Å; I99-L101 HydrophobicContact CG2-CD2 4.26Å
100	Y	97.8	Very high	97.1	Very high	107 Å²	107	76 Å²	76	42%	0.42	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.2	176.9	-56.2	-93	0	0	0	110.1	G92 R93 E95 E98	G92-Y100 WeakPolarHBondContact CA-O 3.18Å; R93-Y100 PolarHBondContact N-O 3.23Å; R93-Y100 PolarHBondContact O-N 3.09Å; E95-Y100 HydrophobicContact CB-CE2 3.85Å; E95-Y100 PolarHBondContact OE2-OH 2.87Å; E98-Y100 HydrophobicContact CB-CE2 4.05Å; E98-Y100 HydrophobicContact CG-CD2 4.45Å; E98-Y100 HydrophobicContact CG-CE1 4.23Å; E98-Y100 HydrophobicContact CG-CE2 3.87Å
101	L	98.3	Very high	97.1	Very high	74 Å²	74	81.6 Å²	81.6	39%	0.387	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-101.3	142.4	177.4	-59.1	-179.9	0	0	0	110.6	C82 I90 I99 F103 W105 V106	C82-L101 HydrophobicContact CB-CD2 4.05Å; C82-L101 VanDerWaalsContact SG-CD2 3.56Å; I90-L101 HydrophobicContact CD1-CD2 4.44Å; I99-L101 HydrophobicContact CG2-CD2 4.26Å; L101-F103 PolarHBondContact O-N 2.94Å; L101-W105 HydrophobicContact CB-CE3 4.29Å; L101-W105 HydrophobicContact CB-CZ3 4.43Å; L101-W105 HydrophobicContact CD1-CE3 4.15Å; L101-W105 HydrophobicContact CD1-CH2 4.2Å; L101-W105 HydrophobicContact CD1-CZ3 3.52Å; L101-V106 HydrophobicContact CB-CG2 4.28Å
102	P	97.9	Very high	97.1	Very high	41 Å²	41	76.7 Å²	76.7	27%	0.266	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-67.7	129.8	-179.9	27.8	-34.2	0	0	0	110.6	I90 K91 S104 W105 V106	I90-P102 HydrophobicContact CD1-CG 4.19Å; K91-P102 WeakPolarHBondContact O-CD 3.28Å; K91-P102 WeakPolarHBondContact O-CG 3.46Å; P102-S104 PolarHBondContact O-N 2.84Å; P102-S104 VanDerWaalsContact O-N 3.14Å; P102-W105 HydrophobicContact CG-CB 4.1Å; P102-W105 WeakPolarHBondContact O-CB 3.43Å; P102-W105 PolarHBondContact O-N 2.87Å; P102-V106 PolarHBondContact O-N 2.88Å
103	F	98.3	Very high	97.1	Very high	52 Å²	52	80.4 Å²	80.4	23%	0.228	40%	0.398	C	S	.	.	H	α-helix	trans	-60.1	-28.6	-179.1	-174.7	-103.8	0	0	0	112.9	L101 W105 V106 E107 V112 F125 F127	L101-F103 PolarHBondContact O-N 2.94Å; F103-W105 PolarHBondContact O-N 2.95Å; F103-V106 HydrophobicContact CD2-CB 4.01Å; F103-V106 HydrophobicContact CD2-CG1 4.12Å; F103-V106 HydrophobicContact CE2-CB 4.39Å; F103-V106 HydrophobicContact CE2-CG1 4.15Å; F103-V106 PolarHBondContact O-N 2.78Å; F103-V106 VanDerWaalsContact O-N 3.12Å; F103-E107 HydrophobicContact CD1-CB 4.3Å; F103-E107 HydrophobicContact CE1-CB 3.81Å; F103-E107 HydrophobicContact CE1-CG 4.41Å; F103-E107 HydrophobicContact CZ-CB 3.96Å; F103-E107 VanDerWaalsContact O-CB 3.3Å; F103-E107 WeakPolarHBondContact O-CB 3.49Å; F103-E107 PolarHBondContact O-N 3Å; F103-V112 HydrophobicContact CE2-CG2 4.28Å; F103-F125 HydrophobicContact CB-CZ 4.38Å; F103-F125 AromaticContact CD1-CE2 3.76Å; F103-F125 HydrophobicContact CD1-CE2 3.76Å; F103-F125 AromaticContact CD1-CZ 3.51Å; F103-F125 HydrophobicContact CD1-CZ 3.51Å; F103-F125 HydrophobicContact CD2-CE1 4.04Å; F103-F125 AromaticContact CD2-CZ 3.55Å; F103-F125 HydrophobicContact CD2-CZ 3.55Å; F103-F125 HydrophobicContact CE1-CE2 4Å; F103-F125 AromaticContact CE1-CZ 3.59Å; F103-F125 HydrophobicContact CE1-CZ 3.59Å; F103-F125 HydrophobicContact CE2-CE1 4.18Å; F103-F125 AromaticContact CE2-CZ 3.64Å; F103-F125 HydrophobicContact CE2-CZ 3.64Å; F103-F125 HydrophobicContact CG-CE1 4.32Å; F103-F125 HydrophobicContact CG-CE2 4.06Å; F103-F125 AromaticContact CG-CZ 3.5Å; F103-F125 HydrophobicContact CG-CZ 3.5Å; F103-F125 VanDerWaalsContact CG-CZ 3.5Å; F103-F125 AromaticContact CZ-CZ 3.67Å; F103-F125 HydrophobicContact CZ-CZ 3.67Å; F103-F127 AromaticContact CE2-CD2 3.81Å; F103-F127 HydrophobicContact CE2-CD2 3.81Å; F103-F127 HydrophobicContact CE2-CE2 4.07Å; F103-F127 HydrophobicContact CZ-CD2 4.42Å
104	S	97.7	Very high	97.1	Very high	79 Å²	79	77.7 Å²	77.7	55%	0.552	40%	0.395	S	S	*	.	H	α-helix	trans	-59.5	-26.6	174.2	57.3	0	0	0	0	113.9	P102	P102-S104 PolarHBondContact O-N 2.84Å; P102-S104 VanDerWaalsContact O-N 3.14Å
105	W	97.9	Very high	97.1	Very high	42 Å²	42	79 Å²	79	16%	0.159	40%	0.404	C	S	.	.	H	α-helix	trans	-84.4	-46.7	170.8	171.9	84.7	0	0	0	110.7	I84 I90 L101 P102 F103 E107 K108 Y109 F110	I84-W105 HydrophobicContact CB-CZ2 4.49Å; I84-W105 HydrophobicContact CD1-CH2 4.26Å; I84-W105 HydrophobicContact CD1-CZ2 3.86Å; I84-W105 HydrophobicContact CG1-CZ2 4Å; I84-W105 HydrophobicContact CG2-CZ2 3.68Å; I90-W105 HydrophobicContact CD1-CB 3.91Å; I90-W105 HydrophobicContact CD1-CD2 3.54Å; I90-W105 HydrophobicContact CD1-CE3 4.01Å; I90-W105 HydrophobicContact CD1-CG 3.47Å; I90-W105 VanDerWaalsContact CD1-CG 3.47Å; I90-W105 HydrophobicContact CG2-CG 4.39Å; L101-W105 HydrophobicContact CB-CE3 4.29Å; L101-W105 HydrophobicContact CB-CZ3 4.43Å; L101-W105 HydrophobicContact CD1-CE3 4.15Å; L101-W105 HydrophobicContact CD1-CH2 4.2Å; L101-W105 HydrophobicContact CD1-CZ3 3.52Å; P102-W105 HydrophobicContact CG-CB 4.1Å; P102-W105 WeakPolarHBondContact O-CB 3.43Å; P102-W105 PolarHBondContact O-N 2.87Å; F103-W105 PolarHBondContact O-N 2.95Å; W105-E107 VanDerWaalsContact C-N 3.32Å; W105-E107 PolarHBondContact O-N 3.06Å; W105-K108 PolarHBondContact O-N 3.35Å; W105-K108 VanDerWaalsContact O-N 3.17Å; W105-Y109 AromaticContact CE2-CG 3.79Å; W105-Y109 AromaticContact CH2-CD1 3.83Å; W105-Y109 HydrophobicContact CH2-CD1 3.83Å; W105-Y109 HydrophobicContact CH2-CE1 4.34Å; W105-Y109 HydrophobicContact CH2-CG 4.03Å; W105-Y109 AromaticContact CZ2-CD1 3.67Å; W105-Y109 HydrophobicContact CZ2-CD1 3.67Å; W105-Y109 AromaticContact CZ2-CD2 3.74Å; W105-Y109 HydrophobicContact CZ2-CD2 3.74Å; W105-Y109 HydrophobicContact CZ2-CE1 4.16Å; W105-Y109 HydrophobicContact CZ2-CE2 4.24Å; W105-Y109 AromaticContact CZ2-CG 3.45Å; W105-Y109 HydrophobicContact CZ2-CG 3.45Å; W105-Y109 VanDerWaalsContact CZ2-CG 3.45Å; W105-Y109 AromaticContact NE1-CD2 3.98Å; W105-Y109 VanDerWaalsContact O-CB 3.28Å; W105-Y109 WeakPolarHBondContact O-CB 3.16Å; W105-Y109 PolarHBondContact O-N 3.29Å; W105-F110 AromaticContact CH2-CE2 3.9Å; W105-F110 HydrophobicContact CH2-CE2 3.9Å; W105-F110 HydrophobicContact CH2-CZ 4.39Å; W105-F110 AromaticContact CZ3-CE2 3.87Å; W105-F110 HydrophobicContact CZ3-CE2 3.87Å
106	V	98.4	Very high	97.2	Very high	29 Å²	29	79.6 Å²	79.6	18%	0.176	41%	0.413	C	S	.	.	H	α-helix	trans	-55	-45.8	179.5	177.6	0	0	0	0	111.7	L101 P102 F103 K108 Y109 F110 V112	L101-V106 HydrophobicContact CB-CG2 4.28Å; P102-V106 PolarHBondContact O-N 2.88Å; F103-V106 HydrophobicContact CD2-CB 4.01Å; F103-V106 HydrophobicContact CD2-CG1 4.12Å; F103-V106 HydrophobicContact CE2-CB 4.39Å; F103-V106 HydrophobicContact CE2-CG1 4.15Å; F103-V106 PolarHBondContact O-N 2.78Å; F103-V106 VanDerWaalsContact O-N 3.12Å; V106-K108 VanDerWaalsContact C-N 3.35Å; V106-K108 PolarHBondContact O-N 3.06Å; V106-Y109 PolarHBondContact O-N 3.28Å; V106-F110 HydrophobicContact CG1-CD2 3.89Å; V106-F110 PolarHBondContact O-N 2.85Å; V106-V112 HydrophobicContact CG1-CG2 3.97Å
107	E	98	Very high	97.5	Very high	77 Å²	77	79.6 Å²	79.6	36%	0.36	41%	0.406	S	S	.	.	H	α-helix	trans	-54.1	-48.5	177.6	171.6	169.9	-122.7	0	0	111.8	F103 W105 E111 V112	F103-E107 HydrophobicContact CD1-CB 4.3Å; F103-E107 HydrophobicContact CE1-CB 3.81Å; F103-E107 HydrophobicContact CE1-CG 4.41Å; F103-E107 HydrophobicContact CZ-CB 3.96Å; F103-E107 VanDerWaalsContact O-CB 3.3Å; F103-E107 WeakPolarHBondContact O-CB 3.49Å; F103-E107 PolarHBondContact O-N 3Å; W105-E107 VanDerWaalsContact C-N 3.32Å; W105-E107 PolarHBondContact O-N 3.06Å; E107-E111 WeakPolarHBondContact O-CA 3.46Å; E107-E111 PolarHBondContact O-N 2.82Å; E107-E111 VanDerWaalsContact O-N 3.08Å; E107-V112 WeakPolarHBondContact CG-O 3.2Å; E107-V112 PolarHBondContact O-N 2.96Å
108	K	97.5	Very high	97.7	Very high	166 Å²	166	83.9 Å²	83.9	72%	0.722	41%	0.406	S	S	*	.	H	α-helix	trans	-78	-39.2	-177.1	-65.3	-179.4	-177.4	178.2	0	112.5	W105 V106	W105-K108 PolarHBondContact O-N 3.35Å; W105-K108 VanDerWaalsContact O-N 3.17Å; V106-K108 VanDerWaalsContact C-N 3.35Å; V106-K108 PolarHBondContact O-N 3.06Å
109	Y	97.9	Very high	97.6	Very high	112 Å²	112	82.3 Å²	82.3	44%	0.439	40%	0.395	S	S	.	.	H	α-helix	trans	-74.6	-40.2	-173.7	-172.2	-92.6	0	0	0	112.2	I84 N85 W105 V106	I84-Y109 HydrophobicContact CG2-CE2 4.22Å; N85-Y109 PolarHBondContact ND2-OH 2.92Å; W105-Y109 AromaticContact CE2-CG 3.79Å; W105-Y109 AromaticContact CH2-CD1 3.83Å; W105-Y109 HydrophobicContact CH2-CD1 3.83Å; W105-Y109 HydrophobicContact CH2-CE1 4.34Å; W105-Y109 HydrophobicContact CH2-CG 4.03Å; W105-Y109 AromaticContact CZ2-CD1 3.67Å; W105-Y109 HydrophobicContact CZ2-CD1 3.67Å; W105-Y109 AromaticContact CZ2-CD2 3.74Å; W105-Y109 HydrophobicContact CZ2-CD2 3.74Å; W105-Y109 HydrophobicContact CZ2-CE1 4.16Å; W105-Y109 HydrophobicContact CZ2-CE2 4.24Å; W105-Y109 AromaticContact CZ2-CG 3.45Å; W105-Y109 HydrophobicContact CZ2-CG 3.45Å; W105-Y109 VanDerWaalsContact CZ2-CG 3.45Å; W105-Y109 AromaticContact NE1-CD2 3.98Å; W105-Y109 VanDerWaalsContact O-CB 3.28Å; W105-Y109 WeakPolarHBondContact O-CB 3.16Å; W105-Y109 PolarHBondContact O-N 3.29Å; V106-Y109 PolarHBondContact O-N 3.28Å
110	F	97.7	Very high	97.5	Very high	121 Å²	121	87 Å²	87	53%	0.531	42%	0.421	S	S	.	.	H	α-helix	trans	-100	-1.4	179	-64.4	-74.8	0	0	0	113.8	W105 V106 V112	W105-F110 AromaticContact CH2-CE2 3.9Å; W105-F110 HydrophobicContact CH2-CE2 3.9Å; W105-F110 HydrophobicContact CH2-CZ 4.39Å; W105-F110 AromaticContact CZ3-CE2 3.87Å; W105-F110 HydrophobicContact CZ3-CE2 3.87Å; V106-F110 HydrophobicContact CG1-CD2 3.89Å; V106-F110 PolarHBondContact O-N 2.85Å; F110-V112 VanDerWaalsContact C-N 3.31Å; F110-V112 HydrophobicContact CB-CG1 4Å; F110-V112 HydrophobicContact CB-CG2 4.08Å; F110-V112 PolarHBondContact O-N 2.95Å
111	E	97.6	Very high	97.3	Very high	147 Å²	147	85.6 Å²	85.6	69%	0.687	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	45	-176.4	-57.9	-174.3	-179.4	0	0	113.2	E107	E107-E111 WeakPolarHBondContact O-CA 3.46Å; E107-E111 PolarHBondContact O-N 2.82Å; E107-E111 VanDerWaalsContact O-N 3.08Å
112	V	98.1	Very high	97.2	Very high	6 Å²	6	87.6 Å²	87.6	4%	0.036	44%	0.443	C	S	.	.			trans	-111.3	165.7	-178.7	-66.8	0	0	0	0	110.9	F103 V106 E107 F110 F127	F103-V112 HydrophobicContact CE2-CG2 4.28Å; V106-V112 HydrophobicContact CG1-CG2 3.97Å; E107-V112 WeakPolarHBondContact CG-O 3.2Å; E107-V112 PolarHBondContact O-N 2.96Å; F110-V112 VanDerWaalsContact C-N 3.31Å; F110-V112 HydrophobicContact CB-CG1 4Å; F110-V112 HydrophobicContact CB-CG2 4.08Å; F110-V112 PolarHBondContact O-N 2.95Å; V112-F127 HydrophobicContact CB-CE2 3.7Å; V112-F127 HydrophobicContact CB-CZ 3.77Å; V112-F127 HydrophobicContact CG1-CE2 4.25Å; V112-F127 HydrophobicContact CG1-CZ 3.85Å; V112-F127 HydrophobicContact CG2-CE2 3.57Å; V112-F127 HydrophobicContact CG2-CZ 4.05Å
113	Y	98.2	Very high	97.1	Very high	79 Å²	79	90.8 Å²	90.8	31%	0.31	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	147.4	-170.3	-51.2	-84.1	0	0	0	111.6	Q128 Y131 W550	Y113-Q128 PolarHBondContact N-O 2.96Å; Y113-Q128 PolarHBondContact O-N 3.4Å; Y113-Q128 VanDerWaalsContact O-O 3.12Å; Y113-Y131 HydrophobicContact CE1-CD1 4.08Å; Y113-Y131 AromaticContact CE2-CD1 3.76Å; Y113-Y131 HydrophobicContact CE2-CD1 3.76Å; Y113-Y131 AromaticContact CZ-CD1 3.49Å; Y113-Y131 VanDerWaalsContact CZ-CD1 3.49Å; Y113-Y131 WeakPolarHBondContact OH-CD1 3.32Å; Y113-W550 AromaticContact CE2-CD1 3.83Å; Y113-W550 AromaticContact CE2-NE1 3.96Å
114	G	97.1	Very high	97.1	Very high	24 Å²	24	93.6 Å²	93.6	25%	0.247	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	154.9	174.1	0	0	0	0	0	113.6	E126	G114-E126 WeakPolarHBondContact CA-O 3.43Å
115	K	97.4	Very high	97.1	Very high	127 Å²	127	94.2 Å²	94.2	55%	0.552	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.7	152.9	176.8	62.1	178.7	-177.7	175.3	0	111.1	V117 E126	K115-V117 HydrophobicContact CD-CG2 4.2Å; K115-V117 HydrophobicContact CG-CG2 3.99Å; K115-E126 PolarHBondContact N-O 3.33Å; K115-E126 VanDerWaalsContact N-O 3.17Å; K115-E126 PolarHBondContact O-N 3.25Å
116	V	97.7	Very high	97.1	Very high	96 Å²	96	94.3 Å²	94.3	58%	0.582	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	128.4	167.2	-177.4	0	0	0	0	108.5	D123 F125	V116-D123 HydrophobicContact CG1-CB 3.85Å; V116-F125 HydrophobicContact CG2-CD2 4.18Å
117	V	97.3	Very high	97.1	Very high	32 Å²	32	98.1 Å²	98.1	19%	0.194	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.7	175.5	-177.7	0	0	0	0	108.1	K115 Y119 R124 E126	K115-V117 HydrophobicContact CD-CG2 4.2Å; K115-V117 HydrophobicContact CG-CG2 3.99Å; V117-Y119 HydrophobicContact CB-CD2 4.46Å; V117-Y119 HydrophobicContact CB-CE2 3.79Å; V117-Y119 HydrophobicContact CG1-CD2 4.24Å; V117-Y119 HydrophobicContact CG1-CE2 3.61Å; V117-Y119 WeakPolarHBondContact O-CD2 3.39Å; V117-R124 PolarHBondContact N-O 2.85Å; V117-R124 PolarHBondContact O-N 2.95Å; V117-E126 HydrophobicContact CB-CG 4.49Å; V117-E126 HydrophobicContact CG2-CG 4.01Å
118	Q	96.8	Very high	97.1	Very high	167 Å²	167	98.4 Å²	98.4	78%	0.78	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	123	176.5	-173.5	171.6	19.2	0	0	109.8	D123	Q118-D123 WeakPolarHBondContact CA-OD1 3.45Å; Q118-D123 WeakPolarHBondContact CG-OD1 3.46Å
119	Y	95.1	Very high	97.1	Very high	80 Å²	80	92.8 Å²	92.8	31%	0.314	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	168.9	171.6	-70.5	-85.7	0	0	0	109.5	V117 G121 Y122 R124 E126	V117-Y119 HydrophobicContact CB-CD2 4.46Å; V117-Y119 HydrophobicContact CB-CE2 3.79Å; V117-Y119 HydrophobicContact CG1-CD2 4.24Å; V117-Y119 HydrophobicContact CG1-CE2 3.61Å; V117-Y119 WeakPolarHBondContact O-CD2 3.39Å; Y119-G121 PolarHBondContact O-N 2.81Å; Y119-Y122 CarbonylContact C-O 3.58Å; Y119-Y122 WeakPolarHBondContact CA-O 3.14Å; Y119-Y122 WeakPolarHBondContact CB-O 3.34Å; Y119-Y122 HydrophobicContact CD2-CD2 4.49Å; Y119-Y122 AromaticContact CD2-CE2 3.79Å; Y119-Y122 HydrophobicContact CD2-CE2 3.79Å; Y119-Y122 HydrophobicContact CG-CE1 4.37Å; Y119-Y122 AromaticContact CG-CE2 3.95Å; Y119-Y122 HydrophobicContact CG-CE2 3.95Å; Y119-Y122 AromaticContact CG-CZ 3.75Å; Y119-Y122 PolarHBondContact N-O 2.83Å; Y119-Y122 PolarHBondContact O-N 3.24Å; Y119-Y122 VanDerWaalsContact O-O 3.13Å; Y119-R124 HydrophobicContact CD2-CB 4.03Å; Y119-R124 HydrophobicContact CE2-CB 4.01Å; Y119-R124 VanDerWaalsContact CZ-NH2 3.31Å; Y119-R124 PolarHBondContact OH-NH2 3.28Å; Y119-E126 PolarHBondContact OH-OE1 2.76Å
120	D	94.8	Very high	97.1	Very high	168 Å²	168	88 Å²	88	90%	0.898	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	111.6	175.2	-167.1	15.2	0	0	0	109.7
121	G	94.2	Very high	96.9	Very high	79 Å²	79	87 Å²	87	81%	0.814	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-2.7	179	0	0	0	0	0	117.1	Y119	Y119-G121 PolarHBondContact O-N 2.81Å
122	Y	94.9	Very high	96.7	Very high	116 Å²	116	81.4 Å²	81.4	46%	0.455	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	158.1	176.5	68.1	-82.1	0	0	0	113.6	Y119 R124	Y119-Y122 CarbonylContact C-O 3.58Å; Y119-Y122 WeakPolarHBondContact CA-O 3.14Å; Y119-Y122 WeakPolarHBondContact CB-O 3.34Å; Y119-Y122 HydrophobicContact CD2-CD2 4.49Å; Y119-Y122 AromaticContact CD2-CE2 3.79Å; Y119-Y122 HydrophobicContact CD2-CE2 3.79Å; Y119-Y122 HydrophobicContact CG-CE1 4.37Å; Y119-Y122 AromaticContact CG-CE2 3.95Å; Y119-Y122 HydrophobicContact CG-CE2 3.95Å; Y119-Y122 AromaticContact CG-CZ 3.75Å; Y119-Y122 PolarHBondContact N-O 2.83Å; Y119-Y122 PolarHBondContact O-N 3.24Å; Y119-Y122 VanDerWaalsContact O-O 3.13Å; Y122-R124 HydrophobicContact CD2-CB 4.32Å; Y122-R124 HydrophobicContact CE2-CB 4.05Å
123	D	97	Very high	96.6	Very high	108 Å²	108	89.7 Å²	89.7	58%	0.578	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	143.6	171.1	-72.8	-16.7	0	0	0	110.6	V116 Q118	V116-D123 HydrophobicContact CG1-CB 3.85Å; Q118-D123 WeakPolarHBondContact CA-OD1 3.45Å; Q118-D123 WeakPolarHBondContact CG-OD1 3.46Å
124	R	97.9	Very high	96.5	Very high	110 Å²	110	87.8 Å²	87.8	42%	0.415	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.2	176.6	-171.9	172.8	69.8	-165.7	2.6	111.5	V117 Y119 Y122 E126	V117-R124 PolarHBondContact N-O 2.85Å; V117-R124 PolarHBondContact O-N 2.95Å; Y119-R124 HydrophobicContact CD2-CB 4.03Å; Y119-R124 HydrophobicContact CE2-CB 4.01Å; Y119-R124 VanDerWaalsContact CZ-NH2 3.31Å; Y119-R124 PolarHBondContact OH-NH2 3.28Å; Y122-R124 HydrophobicContact CD2-CB 4.32Å; Y122-R124 HydrophobicContact CE2-CB 4.05Å; R124-E126 IonicContact CZ-OE1 3.36Å; R124-E126 IonicContact NE-OE1 3.75Å; R124-E126 IonicContact NH2-OE1 3.28Å; R124-E126 PolarHBondContact NH2-OE1 3.28Å
125	F	97.9	Very high	96.5	Very high	93 Å²	93	88.7 Å²	88.7	41%	0.408	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	123.8	168	-177.7	-102.6	0	0	0	110.4	F103 V116 F127	F103-F125 HydrophobicContact CB-CZ 4.38Å; F103-F125 AromaticContact CD1-CE2 3.76Å; F103-F125 HydrophobicContact CD1-CE2 3.76Å; F103-F125 AromaticContact CD1-CZ 3.51Å; F103-F125 HydrophobicContact CD1-CZ 3.51Å; F103-F125 HydrophobicContact CD2-CE1 4.04Å; F103-F125 AromaticContact CD2-CZ 3.55Å; F103-F125 HydrophobicContact CD2-CZ 3.55Å; F103-F125 HydrophobicContact CE1-CE2 4Å; F103-F125 AromaticContact CE1-CZ 3.59Å; F103-F125 HydrophobicContact CE1-CZ 3.59Å; F103-F125 HydrophobicContact CE2-CE1 4.18Å; F103-F125 AromaticContact CE2-CZ 3.64Å; F103-F125 HydrophobicContact CE2-CZ 3.64Å; F103-F125 HydrophobicContact CG-CE1 4.32Å; F103-F125 HydrophobicContact CG-CE2 4.06Å; F103-F125 AromaticContact CG-CZ 3.5Å; F103-F125 HydrophobicContact CG-CZ 3.5Å; F103-F125 VanDerWaalsContact CG-CZ 3.5Å; F103-F125 AromaticContact CZ-CZ 3.67Å; F103-F125 HydrophobicContact CZ-CZ 3.67Å; V116-F125 HydrophobicContact CG2-CD2 4.18Å; F125-F127 HydrophobicContact CE1-CB 4.04Å
126	E	97.8	Very high	96.4	Very high	44 Å²	44	86.3 Å²	86.3	21%	0.206	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113.3	177.5	-63	-168.8	166.4	0	0	110.2	G114 K115 V117 Y119 R124	G114-E126 WeakPolarHBondContact CA-O 3.43Å; K115-E126 PolarHBondContact N-O 3.33Å; K115-E126 VanDerWaalsContact N-O 3.17Å; K115-E126 PolarHBondContact O-N 3.25Å; V117-E126 HydrophobicContact CB-CG 4.49Å; V117-E126 HydrophobicContact CG2-CG 4.01Å; Y119-E126 PolarHBondContact OH-OE1 2.76Å; R124-E126 IonicContact CZ-OE1 3.36Å; R124-E126 IonicContact NE-OE1 3.75Å; R124-E126 IonicContact NH2-OE1 3.28Å; R124-E126 PolarHBondContact NH2-OE1 3.28Å
127	F	98.2	Very high	96.3	Very high	108 Å²	108	84.3 Å²	84.3	47%	0.474	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	140.7	175.6	176.6	-90.4	0	0	0	111.5	F103 V112 F125 H129	F103-F127 AromaticContact CE2-CD2 3.81Å; F103-F127 HydrophobicContact CE2-CD2 3.81Å; F103-F127 HydrophobicContact CE2-CE2 4.07Å; F103-F127 HydrophobicContact CZ-CD2 4.42Å; V112-F127 HydrophobicContact CB-CE2 3.7Å; V112-F127 HydrophobicContact CB-CZ 3.77Å; V112-F127 HydrophobicContact CG1-CE2 4.25Å; V112-F127 HydrophobicContact CG1-CZ 3.85Å; V112-F127 HydrophobicContact CG2-CE2 3.57Å; V112-F127 HydrophobicContact CG2-CZ 4.05Å; F125-F127 HydrophobicContact CE1-CB 4.04Å; F127-H129 HydrophobicContact CE1-CB 4.37Å
128	Q	97.6	Very high	96.3	Very high	84 Å²	84	89.7 Å²	89.7	39%	0.393	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	128.6	174.1	-61.7	-179.3	2.5	0	0	110.3	Y113 S130	Y113-Q128 PolarHBondContact N-O 2.96Å; Y113-Q128 PolarHBondContact O-N 3.4Å; Y113-Q128 VanDerWaalsContact O-O 3.12Å; Q128-S130 VanDerWaalsContact C-N 3.26Å; Q128-S130 PolarHBondContact O-N 2.85Å
129	H	98.3	Very high	96.3	Very high	48 Å²	48	86.9 Å²	86.9	22%	0.222	43%	0.427	C	S	.	.	S	Bend	trans	-70.3	-25.9	174.9	-168	81.8	0	0	0	112.3	F127 W550 Y582 G585	F127-H129 HydrophobicContact CE1-CB 4.37Å; H129-W550 AromaticContact CD2-CH2 3.85Å; H129-W550 AromaticContact CD2-CZ2 3.67Å; H129-W550 AromaticContact NE2-CZ2 3.83Å; H129-Y582 PolarHBondContact CD2-O 2.64Å; H129-Y582 VanDerWaalsContact CD2-O 3.27Å; H129-G585 PolarHBondContact CD2-N 3.15Å
130	S	97.6	Very high	96.4	Very high	11 Å²	11	87.3 Å²	87.3	8%	0.077	44%	0.44	C	S	.	.			trans	-145.8	157.5	-179.1	63.3	0	0	0	0	111	Q128 L583	Q128-S130 VanDerWaalsContact C-N 3.26Å; Q128-S130 PolarHBondContact O-N 2.85Å; S130-L583 WeakPolarHBondContact OG-CA 3.27Å; S130-L583 WeakPolarHBondContact OG-CD2 3.11Å; S130-L583 PolarHBondContact OG-O 3.21Å
131	Y	94.7	Very high	96.6	Very high	100 Å²	100	80.1 Å²	80.1	39%	0.392	40%	0.401	S	S	.	.	S	Bend	trans	-99.9	-13.3	-174.2	63.1	-99.5	0	0	0	115.3	Y113 W550 D551	Y113-Y131 HydrophobicContact CE1-CD1 4.08Å; Y113-Y131 AromaticContact CE2-CD1 3.76Å; Y113-Y131 HydrophobicContact CE2-CD1 3.76Å; Y113-Y131 AromaticContact CZ-CD1 3.49Å; Y113-Y131 VanDerWaalsContact CZ-CD1 3.49Å; Y113-Y131 WeakPolarHBondContact OH-CD1 3.32Å; Y131-W550 HydrophobicContact CD1-CB 3.93Å; Y131-W550 AromaticContact CD1-CD1 3.81Å; Y131-W550 HydrophobicContact CD1-CG 4.25Å; Y131-W550 HydrophobicContact CE1-CB 3.6Å; Y131-W550 AromaticContact CE1-CD1 3.76Å; Y131-W550 HydrophobicContact CE1-CG 4.08Å; Y131-W550 HydrophobicContact CE2-CB 4.34Å; Y131-W550 HydrophobicContact CG-CB 4.47Å; Y131-D551 HydrophobicContact CE2-CB 3.99Å; Y131-D551 PolarHBondContact OH-N 2.66Å; Y131-D551 PolarHBondContact OH-OD1 3.16Å
132	S	93.5	Very high	96.7	Very high	29 Å²	29	79.9 Å²	79.9	20%	0.203	38%	0.378	C	S	.	.			trans	-103.4	152	-174.1	-168.7	0	0	0	0	111.9	T554	S132-T554 WeakPolarHBondContact CB-OG1 3.46Å; S132-T554 PolarHBondContact OG-OG1 3.44Å
133	K	94.9	Very high	96.9	Very high	181 Å²	181	74.5 Å²	74.5	79%	0.787	36%	0.357	S	S	*	.			trans	-112.8	142.6	-177.7	-65	-174.9	179.5	-178.9	0	111.2
134	V	96.9	Very high	96.9	Very high	39 Å²	39	74.3 Å²	74.3	24%	0.236	35%	0.353	C	S	.	.			trans	-77.1	139.1	173.1	-173.8	0	0	0	0	109.4	T554 I557 N558 K580 L583	V134-T554 HydrophobicContact CG2-CG2 4.29Å; V134-I557 HydrophobicContact CB-CG2 4.43Å; V134-I557 HydrophobicContact CG1-CB 4.47Å; V134-I557 HydrophobicContact CG1-CG2 3.58Å; V134-I557 HydrophobicContact CG2-CB 4.37Å; V134-I557 HydrophobicContact CG2-CD1 4.03Å; V134-I557 HydrophobicContact CG2-CG2 3.89Å; V134-N558 VanDerWaalsContact CG1-OD1 3.25Å; V134-N558 WeakPolarHBondContact CG1-OD1 3.22Å; V134-K580 HydrophobicContact CG2-CG 4.25Å; V134-L583 HydrophobicContact CG2-CD1 3.39Å
135	Y	96.3	Very high	96.9	Very high	42 Å²	42	69.3 Å²	69.3	17%	0.165	34%	0.336	C	S	.	.			trans	-68.4	133.8	177.7	177.7	-115.3	0	0	0	111.5	Q137 R138 M148 E151 N558	Y135-Q137 HydrophobicContact CD1-CB 4.34Å; Y135-Q137 HydrophobicContact CE1-CB 4.31Å; Y135-Q137 PolarHBondContact O-N 3.05Å; Y135-Q137 VanDerWaalsContact O-N 3.15Å; Y135-R138 PolarHBondContact OH-NH1 2.86Å; Y135-R138 VanDerWaalsContact OH-NH1 3.14Å; Y135-R138 PolarHBondContact OH-NH2 2.83Å; Y135-M148 WeakPolarHBondContact CE1-O 3.47Å; Y135-E151 HydrophobicContact CE2-CG 4.2Å; Y135-E151 VanDerWaalsContact CE2-OE1 3.32Å; Y135-E151 WeakPolarHBondContact CE2-OE1 3.31Å; Y135-E151 PolarHBondContact OH-OE1 3.02Å; Y135-E151 PolarHBondContact OH-OE2 2.83Å; Y135-E151 VanDerWaalsContact OH-OE2 3.1Å; Y135-N558 WeakPolarHBondContact CB-OD1 3.13Å; Y135-N558 PolarHBondContact N-OD1 3.02Å
136	A	96.2	Very high	96.9	Very high	77 Å²	77	65.7 Å²	65.7	64%	0.636	32%	0.321	S	S	*	.			trans	-84.3	84.2	175	0	0	0	0	0	109.6	R138	A136-R138 PolarHBondContact O-N 3.48Å
137	Q	95	Very high	97	Very high	55 Å²	55	63.6 Å²	63.6	26%	0.257	31%	0.312	S	S	.	.			trans	-56.7	129.4	174.8	-173.8	178.6	8.2	0	0	110.7	Y135 E139 Q561 S565	Y135-Q137 HydrophobicContact CD1-CB 4.34Å; Y135-Q137 HydrophobicContact CE1-CB 4.31Å; Y135-Q137 PolarHBondContact O-N 3.05Å; Y135-Q137 VanDerWaalsContact O-N 3.15Å; Q137-E139 WeakPolarHBondContact CG-O 3.45Å; Q137-E139 PolarHBondContact NE2-O 2.78Å; Q137-Q561 VanDerWaalsContact CB-NE2 3.3Å; Q137-Q561 PolarHBondContact OE1-O 2.8Å; Q137-S565 PolarHBondContact NE2-OG 2.77Å; Q137-S565 VanDerWaalsContact NE2-OG 3.17Å
138	R	96.7	Very high	97	Very high	145 Å²	145	58.9 Å²	58.9	55%	0.547	29%	0.291	S	S	.	.			trans	-95.2	-29.7	-176.1	-65.2	-179.9	-66.5	-87.2	-0.5	113.4	Y135 A136 E151	Y135-R138 PolarHBondContact OH-NH1 2.86Å; Y135-R138 VanDerWaalsContact OH-NH1 3.14Å; Y135-R138 PolarHBondContact OH-NH2 2.83Å; A136-R138 PolarHBondContact O-N 3.48Å; R138-E151 IonicContact CZ-OE1 3.69Å; R138-E151 IonicContact CZ-OE2 3.65Å; R138-E151 IonicContact NH1-OE1 2.68Å; R138-E151 PolarHBondContact NH1-OE1 2.9Å; R138-E151 IonicContact NH1-OE2 2.74Å; R138-E151 PolarHBondContact NH1-OE2 3.29Å; R138-E151 IonicContact NH2-OE1 2.67Å; R138-E151 PolarHBondContact NH2-OE1 2.79Å; R138-E151 IonicContact NH2-OE2 3.84Å; R138-E151 PolarHBondContact NH2-OE2 3.2Å
139	E	96.5	Very high	97	Very high	107 Å²	107	55.4 Å²	55.4	50%	0.5	28%	0.276	S	S	.	.	S	Bend	trans	-149.4	161.1	-176	65.8	-165	155.7	0	0	111.2	Q137 H142	Q137-E139 WeakPolarHBondContact CG-O 3.45Å; Q137-E139 PolarHBondContact NE2-O 2.78Å; E139-H142 IonicContact OE1-NE2 3.34Å
140	P	97.5	Very high	97	Very high	89 Å²	89	53.1 Å²	53.1	58%	0.578	27%	0.265	S	S	*	.			trans	-55.6	145.4	170.7	-23.5	34.7	0	0	0	111.9
141	Y	98.4	Very high	97	Very high	18 Å²	18	54.5 Å²	54.5	7%	0.071	27%	0.27	C	S	.	.			trans	-69.7	138.1	-178.3	178.9	-102	0	0	0	112.1	F147 R430 Y494 D495 L562 S565 I566	Y141-F147 HydrophobicContact CE2-CD2 4.48Å; Y141-R430 PolarHBondContact OH-NH2 3.3Å; Y141-Y494 HydrophobicContact CD1-CD1 4.12Å; Y141-Y494 AromaticContact CD1-CE1 3.79Å; Y141-Y494 HydrophobicContact CD1-CE1 3.79Å; Y141-Y494 AromaticContact CE1-CD1 3.78Å; Y141-Y494 HydrophobicContact CE1-CD1 3.78Å; Y141-Y494 AromaticContact CE1-CE1 3.79Å; Y141-Y494 HydrophobicContact CE1-CE1 3.79Å; Y141-D495 WeakPolarHBondContact CE1-OD1 3.27Å; Y141-D495 VanDerWaalsContact CZ-OD1 3.32Å; Y141-D495 PolarHBondContact OH-OD1 3.44Å; Y141-D495 PolarHBondContact OH-OD2 3.43Å; Y141-L562 HydrophobicContact CD1-CD2 3.71Å; Y141-L562 HydrophobicContact CD1-CG 4.41Å; Y141-L562 HydrophobicContact CD2-CD1 3.68Å; Y141-L562 HydrophobicContact CD2-CD2 4.1Å; Y141-L562 HydrophobicContact CD2-CG 3.92Å; Y141-L562 HydrophobicContact CE1-CD2 4.38Å; Y141-L562 HydrophobicContact CE2-CD1 4.06Å; Y141-L562 HydrophobicContact CG-CD1 4.01Å; Y141-L562 HydrophobicContact CG-CD2 3.54Å; Y141-L562 HydrophobicContact CG-CG 3.76Å; Y141-S565 PolarHBondContact N-OG 3.01Å; Y141-S565 VanDerWaalsContact N-OG 3.09Å; Y141-I566 HydrophobicContact CD1-CG2 4.12Å
142	H	97.6	Very high	97.1	Very high	73 Å²	73	52.6 Å²	52.6	34%	0.338	28%	0.281	S	S	.	.			trans	-142.7	153.1	169.1	60.9	95.4	0	0	0	110	E139 E144 G145	E139-H142 IonicContact OE1-NE2 3.34Å; H142-E144 VanDerWaalsContact C-N 3.28Å; H142-E144 PolarHBondContact O-N 3.02Å; H142-G145 WeakPolarHBondContact CE1-CA 3.2Å; H142-G145 PolarHBondContact CE1-N 2.84Å; H142-G145 PolarHBondContact ND1-N 2.85Å; H142-G145 PolarHBondContact O-N 2.95Å
143	P	98	Very high	97.3	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.026	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.5	-172.8	-26	36.2	0	0	0	115.4	G145 V429 R430 L433 Y494 D495 D498	P143-G145 VanDerWaalsContact C-N 3.28Å; P143-V429 HydrophobicContact CB-CG1 3.97Å; P143-R430 WeakPolarHBondContact O-CG 3.17Å; P143-R430 PolarHBondContact O-NE 3.4Å; P143-R430 PolarHBondContact O-NH1 2.97Å; P143-R430 PolarHBondContact O-NH2 3.03Å; P143-L433 HydrophobicContact CB-CD1 4.17Å; P143-Y494 HydrophobicContact CG-CE1 4.31Å; P143-D495 HydrophobicContact CB-CB 4.27Å; P143-D495 HydrophobicContact CG-CB 4.44Å; P143-D498 WeakPolarHBondContact CD-OD2 3.24Å; P143-D498 HydrophobicContact CG-CB 4.06Å; P143-D498 WeakPolarHBondContact CG-OD2 3.42Å
144	E	97.4	Very high	97.4	Very high	104 Å²	104	48.6 Å²	48.6	49%	0.486	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-10.2	175.2	-62.2	-175	166.4	0	0	113.5	H142 Y195 L433	H142-E144 VanDerWaalsContact C-N 3.28Å; H142-E144 PolarHBondContact O-N 3.02Å; E144-Y195 PolarHBondContact O-OH 3.07Å; E144-L433 HydrophobicContact CG-CB 4.23Å; E144-L433 HydrophobicContact CG-CD1 3.53Å; E144-L433 HydrophobicContact CG-CD2 4.49Å; E144-L433 HydrophobicContact CG-CG 4.28Å
145	G	98.1	Very high	97.5	Very high	5 Å²	5	46.8 Å²	46.8	5%	0.052	25%	0.252	C	S	.	.	S	Bend	trans	-89.2	-177	-174.4	0	0	0	0	0	113.7	H142 P143 F147 R430	H142-G145 WeakPolarHBondContact CE1-CA 3.2Å; H142-G145 PolarHBondContact CE1-N 2.84Å; H142-G145 PolarHBondContact ND1-N 2.85Å; H142-G145 PolarHBondContact O-N 2.95Å; P143-G145 VanDerWaalsContact C-N 3.28Å; G145-F147 PolarHBondContact O-N 2.68Å; G145-R430 PolarHBondContact O-NE 2.86Å; G145-R430 PolarHBondContact O-NH2 3.29Å; G145-R430 VanDerWaalsContact O-NH2 3.13Å
146	V	98.4	Very high	97.6	Very high	17 Å²	17	45.6 Å²	45.6	10%	0.103	25%	0.248	C	C	.	.			trans	-52.4	134.9	169.7	169.2	0	0	0	0	110.2	M148 E151 L199 T200	V146-M148 PolarHBondContact O-N 2.95Å; V146-M148 VanDerWaalsContact O-N 3.13Å; V146-E151 HydrophobicContact CG1-CB 4.45Å; V146-L199 HydrophobicContact CG2-CB 4.21Å; V146-L199 HydrophobicContact CG2-CD1 4.15Å; V146-T200 HydrophobicContact CG2-CG2 3.77Å
147	F	98.6	Very high	97.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.			trans	-82.4	95.5	177.1	-170.1	-98.1	0	0	0	110.6	Y141 G145 S149 F150 L192 S196 S426 Y488 L491	Y141-F147 HydrophobicContact CE2-CD2 4.48Å; G145-F147 PolarHBondContact O-N 2.68Å; F147-S149 PolarHBondContact O-N 2.61Å; F147-S149 VanDerWaalsContact O-N 3.09Å; F147-F150 AromaticContact CD1-CD1 3.89Å; F147-F150 HydrophobicContact CD1-CD1 3.89Å; F147-F150 AromaticContact CD1-CD2 3.57Å; F147-F150 HydrophobicContact CD1-CD2 3.57Å; F147-F150 AromaticContact CD1-CE1 3.84Å; F147-F150 HydrophobicContact CD1-CE1 3.84Å; F147-F150 AromaticContact CD1-CE2 3.47Å; F147-F150 HydrophobicContact CD1-CE2 3.47Å; F147-F150 VanDerWaalsContact CD1-CE2 3.47Å; F147-F150 AromaticContact CD1-CG 3.76Å; F147-F150 HydrophobicContact CD1-CG 3.76Å; F147-F150 AromaticContact CD1-CZ 3.63Å; F147-F150 HydrophobicContact CD1-CZ 3.63Å; F147-F150 HydrophobicContact CE1-CD1 4.45Å; F147-F150 HydrophobicContact CE1-CD2 4.24Å; F147-F150 AromaticContact CE1-CE1 3.94Å; F147-F150 HydrophobicContact CE1-CE1 3.94Å; F147-F150 AromaticContact CE1-CE2 3.66Å; F147-F150 HydrophobicContact CE1-CE2 3.66Å; F147-F150 AromaticContact CE1-CZ 3.5Å; F147-F150 HydrophobicContact CE1-CZ 3.5Å; F147-F150 WeakPolarHBondContact O-CB 3.14Å; F147-F150 WeakPolarHBondContact O-CD1 3.37Å; F147-F150 WeakPolarHBondContact O-CG 3.27Å; F147-F150 PolarHBondContact O-N 3.02Å; F147-L192 HydrophobicContact CB-CB 4.17Å; F147-L192 HydrophobicContact CB-CD2 4Å; F147-L192 HydrophobicContact CD1-CB 4.32Å; F147-L192 HydrophobicContact CD1-CD1 3.81Å; F147-L192 HydrophobicContact CD1-CG 4.47Å; F147-L192 HydrophobicContact CD2-CD1 4.26Å; F147-L192 HydrophobicContact CD2-CD2 4.11Å; F147-L192 HydrophobicContact CE1-CD1 3.89Å; F147-L192 HydrophobicContact CE2-CD1 4.36Å; F147-L192 HydrophobicContact CG-CB 4.32Å; F147-L192 HydrophobicContact CG-CD1 3.98Å; F147-L192 HydrophobicContact CG-CD2 3.98Å; F147-L192 HydrophobicContact CG-CG 4.32Å; F147-L192 HydrophobicContact CZ-CD1 4.17Å; F147-S196 PolarHBondContact N-OG 3.28Å; F147-S426 VanDerWaalsContact CE2-OG 3.29Å; F147-S426 WeakPolarHBondContact CE2-OG 3.46Å; F147-Y488 AromaticContact CE1-CD1 3.95Å; F147-Y488 HydrophobicContact CE1-CD1 3.95Å; F147-Y488 AromaticContact CE1-CE1 3.8Å; F147-Y488 HydrophobicContact CE1-CE1 3.8Å; F147-Y488 AromaticContact CZ-CD1 3.95Å; F147-Y488 HydrophobicContact CZ-CD1 3.95Å; F147-Y488 HydrophobicContact CZ-CE1 4.25Å; F147-L491 HydrophobicContact CE2-CB 4.41Å; F147-L491 HydrophobicContact CE2-CD1 4.47Å; F147-L491 HydrophobicContact CZ-CD1 4.2Å
148	M	97.8	Very high	97.8	Very high	9 Å²	9	45.8 Å²	45.8	4%	0.044	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-113.2	179.4	-165.5	-169.7	80.3	0	0	111.7	Y135 V146 F150 Y488 N558 Q559 L562	Y135-M148 WeakPolarHBondContact CE1-O 3.47Å; V146-M148 PolarHBondContact O-N 2.95Å; V146-M148 VanDerWaalsContact O-N 3.13Å; M148-F150 HydrophobicContact CE-CD1 4.22Å; M148-F150 HydrophobicContact CE-CE1 3.88Å; M148-Y488 HydrophobicContact CE-CE1 4.43Å; M148-Y488 WeakPolarHBondContact CE-OH 3.43Å; M148-Y488 HydrophobicContact SD-CE1 4.23Å; M148-N558 HydrophobicContact CE-CB 4.01Å; M148-N558 HydrophobicContact CG-CB 4.13Å; M148-N558 HydrophobicContact SD-CB 3.82Å; M148-Q559 HydrophobicContact SD-CG 3.7Å; M148-L562 HydrophobicContact CB-CD1 3.67Å; M148-L562 HydrophobicContact CG-CD1 3.88Å
149	S	97.5	Very high	97.9	Very high	10 Å²	10	43.4 Å²	43.4	7%	0.07	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	18.5	-179.1	69.2	0	0	0	0	112.9	F147 E151 G152 Y153	F147-S149 PolarHBondContact O-N 2.61Å; F147-S149 VanDerWaalsContact O-N 3.09Å; S149-E151 PolarHBondContact O-N 2.92Å; S149-G152 PolarHBondContact O-N 2.57Å; S149-Y153 WeakPolarHBondContact O-CD1 3.33Å
150	F	98.4	Very high	98	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-76	-10.8	-167.6	-77.5	30.8	0	0	0	113.5	F147 M148 G152 Y153 Q189 L192 S193 Y488	F147-F150 AromaticContact CD1-CD1 3.89Å; F147-F150 HydrophobicContact CD1-CD1 3.89Å; F147-F150 AromaticContact CD1-CD2 3.57Å; F147-F150 HydrophobicContact CD1-CD2 3.57Å; F147-F150 AromaticContact CD1-CE1 3.84Å; F147-F150 HydrophobicContact CD1-CE1 3.84Å; F147-F150 AromaticContact CD1-CE2 3.47Å; F147-F150 HydrophobicContact CD1-CE2 3.47Å; F147-F150 VanDerWaalsContact CD1-CE2 3.47Å; F147-F150 AromaticContact CD1-CG 3.76Å; F147-F150 HydrophobicContact CD1-CG 3.76Å; F147-F150 AromaticContact CD1-CZ 3.63Å; F147-F150 HydrophobicContact CD1-CZ 3.63Å; F147-F150 HydrophobicContact CE1-CD1 4.45Å; F147-F150 HydrophobicContact CE1-CD2 4.24Å; F147-F150 AromaticContact CE1-CE1 3.94Å; F147-F150 HydrophobicContact CE1-CE1 3.94Å; F147-F150 AromaticContact CE1-CE2 3.66Å; F147-F150 HydrophobicContact CE1-CE2 3.66Å; F147-F150 AromaticContact CE1-CZ 3.5Å; F147-F150 HydrophobicContact CE1-CZ 3.5Å; F147-F150 WeakPolarHBondContact O-CB 3.14Å; F147-F150 WeakPolarHBondContact O-CD1 3.37Å; F147-F150 WeakPolarHBondContact O-CG 3.27Å; F147-F150 PolarHBondContact O-N 3.02Å; M148-F150 HydrophobicContact CE-CD1 4.22Å; M148-F150 HydrophobicContact CE-CE1 3.88Å; F150-G152 PolarHBondContact O-N 2.79Å; F150-Y153 AromaticContact CD1-CD2 3.9Å; F150-Y153 HydrophobicContact CD1-CD2 3.9Å; F150-Y153 HydrophobicContact CD1-CE1 4.48Å; F150-Y153 AromaticContact CD1-CE2 3.81Å; F150-Y153 HydrophobicContact CD1-CE2 3.81Å; F150-Y153 HydrophobicContact CD1-CG 4.3Å; F150-Y153 HydrophobicContact CD2-CD2 4.42Å; F150-Y153 HydrophobicContact CE1-CD2 4.08Å; F150-Y153 AromaticContact CE1-CE2 3.62Å; F150-Y153 HydrophobicContact CE1-CE2 3.62Å; F150-Y153 HydrophobicContact CG-CD2 4.09Å; F150-Y153 HydrophobicContact CG-CE2 4.44Å; F150-Y153 HydrophobicContact CG-CG 4.37Å; F150-Y153 HydrophobicContact CZ-CD2 4.44Å; F150-Y153 HydrophobicContact CZ-CE2 4.13Å; F150-Y153 WeakPolarHBondContact O-CB 3.4Å; F150-Y153 PolarHBondContact O-N 3.4Å; F150-Q189 HydrophobicContact CE2-CB 4.24Å; F150-Q189 HydrophobicContact CE2-CG 3.73Å; F150-Q189 HydrophobicContact CZ-CG 4.16Å; F150-L192 HydrophobicContact CD2-CB 3.66Å; F150-L192 HydrophobicContact CE2-CB 4.12Å; F150-L192 HydrophobicContact CE2-CD1 4.17Å; F150-S193 WeakPolarHBondContact O-CA 3.26Å; F150-S193 VanDerWaalsContact O-CB 3.32Å; F150-S193 WeakPolarHBondContact O-CB 3.32Å; F150-Y488 HydrophobicContact CE1-CE1 4.02Å; F150-Y488 AromaticContact CZ-CE1 3.91Å; F150-Y488 HydrophobicContact CZ-CE1 3.91Å
151	E	98	Very high	98	Very high	40 Å²	40	37.4 Å²	37.4	19%	0.187	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-56.1	-33.7	167.2	66.2	-170.5	-144.2	0	0	112.3	Y135 R138 V146 S149 K197 T200	Y135-E151 HydrophobicContact CE2-CG 4.2Å; Y135-E151 VanDerWaalsContact CE2-OE1 3.32Å; Y135-E151 WeakPolarHBondContact CE2-OE1 3.31Å; Y135-E151 PolarHBondContact OH-OE1 3.02Å; Y135-E151 PolarHBondContact OH-OE2 2.83Å; Y135-E151 VanDerWaalsContact OH-OE2 3.1Å; R138-E151 IonicContact CZ-OE1 3.69Å; R138-E151 IonicContact CZ-OE2 3.65Å; R138-E151 IonicContact NH1-OE1 2.68Å; R138-E151 PolarHBondContact NH1-OE1 2.9Å; R138-E151 IonicContact NH1-OE2 2.74Å; R138-E151 PolarHBondContact NH1-OE2 3.29Å; R138-E151 IonicContact NH2-OE1 2.67Å; R138-E151 PolarHBondContact NH2-OE1 2.79Å; R138-E151 IonicContact NH2-OE2 3.84Å; R138-E151 PolarHBondContact NH2-OE2 3.2Å; V146-E151 HydrophobicContact CG1-CB 4.45Å; S149-E151 PolarHBondContact O-N 2.92Å; E151-K197 WeakPolarHBondContact O-CE 3.5Å; E151-K197 WeakPolarHBondContact O-CG 3.41Å; E151-T200 WeakPolarHBondContact OE2-CG2 3.32Å
152	G	97.2	Very high	98	Very high	60 Å²	60	37.5 Å²	37.5	62%	0.619	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-88	0.7	177.3	0	0	0	0	0	114.4	S149 F150	S149-G152 PolarHBondContact O-N 2.57Å; F150-G152 PolarHBondContact O-N 2.79Å
153	Y	97.9	Very high	98.1	Very high	46 Å²	46	34 Å²	34	18%	0.18	18%	0.183	C	C	.	.			trans	-90.9	122.3	-175.4	-82.4	29.7	0	0	0	110.5	S149 F150 R158 S193 K197	S149-Y153 WeakPolarHBondContact O-CD1 3.33Å; F150-Y153 AromaticContact CD1-CD2 3.9Å; F150-Y153 HydrophobicContact CD1-CD2 3.9Å; F150-Y153 HydrophobicContact CD1-CE1 4.48Å; F150-Y153 AromaticContact CD1-CE2 3.81Å; F150-Y153 HydrophobicContact CD1-CE2 3.81Å; F150-Y153 HydrophobicContact CD1-CG 4.3Å; F150-Y153 HydrophobicContact CD2-CD2 4.42Å; F150-Y153 HydrophobicContact CE1-CD2 4.08Å; F150-Y153 AromaticContact CE1-CE2 3.62Å; F150-Y153 HydrophobicContact CE1-CE2 3.62Å; F150-Y153 HydrophobicContact CG-CD2 4.09Å; F150-Y153 HydrophobicContact CG-CE2 4.44Å; F150-Y153 HydrophobicContact CG-CG 4.37Å; F150-Y153 HydrophobicContact CZ-CD2 4.44Å; F150-Y153 HydrophobicContact CZ-CE2 4.13Å; F150-Y153 WeakPolarHBondContact O-CB 3.4Å; F150-Y153 PolarHBondContact O-N 3.4Å; Y153-R158 VanDerWaalsContact CD2-NH2 3.32Å; Y153-S193 WeakPolarHBondContact O-CB 3.39Å; Y153-K197 WeakPolarHBondContact O-CE 3.48Å; Y153-K197 PolarHBondContact O-NZ 3.22Å
154	N	97.9	Very high	98.1	Very high	81 Å²	81	34.3 Å²	34.3	43%	0.433	18%	0.184	S	C	.	.			trans	-103.5	103.9	167.1	-61.9	-33.5	0	0	0	107.7	V157 K197	N154-V157 HydrophobicContact CB-CG1 4.17Å; N154-V157 HydrophobicContact CB-CG2 3.55Å; N154-V157 WeakPolarHBondContact O-CG2 3.31Å; N154-K197 VanDerWaalsContact OD1-CE 3.27Å; N154-K197 WeakPolarHBondContact OD1-CE 3.2Å; N154-K197 PolarHBondContact OD1-NZ 3.07Å; N154-K197 VanDerWaalsContact OD1-NZ 3.13Å
155	V	98.6	Very high	98.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-81.6	-47.6	-170.2	175.4	0	0	0	0	109.8	V157 R158 V161 Q186 Q189 Y190	V155-V157 VanDerWaalsContact C-N 3.26Å; V155-V157 PolarHBondContact O-N 2.91Å; V155-R158 VanDerWaalsContact O-CB 3.27Å; V155-R158 WeakPolarHBondContact O-CB 3.27Å; V155-R158 WeakPolarHBondContact O-CD 3.4Å; V155-R158 VanDerWaalsContact O-CG 3.23Å; V155-R158 WeakPolarHBondContact O-CG 3.3Å; V155-R158 PolarHBondContact O-N 3.42Å; V155-R158 VanDerWaalsContact O-N 3.11Å; V155-V161 VanDerWaalsContact O-CG2 3.27Å; V155-V161 WeakPolarHBondContact O-CG2 3.48Å; V155-Q186 HydrophobicContact CG1-CG 3.98Å; V155-Q189 HydrophobicContact CG2-CB 3.98Å; V155-Y190 HydrophobicContact CB-CD2 4.49Å
156	E	98.2	Very high	98.2	Very high	17 Å²	17	29.6 Å²	29.6	8%	0.079	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-31.9	-179.5	60.6	-74.4	169.3	0	0	113.3	R158 I164 Y190 H194 T330 K334	E156-R158 VanDerWaalsContact C-N 3.29Å; E156-R158 PolarHBondContact O-N 3.13Å; E156-I164 HydrophobicContact CB-CD1 4.06Å; E156-Y190 HydrophobicContact CB-CE2 4.37Å; E156-H194 IonicContact OE2-NE2 3.27Å; E156-T330 HydrophobicContact CB-CG2 4.11Å; E156-T330 HydrophobicContact CG-CG2 4.44Å; E156-K334 WeakPolarHBondContact O-CE 3.43Å; E156-K334 PolarHBondContact O-NZ 2.86Å
157	V	97.7	Very high	98.2	Very high	83 Å²	83	31.4 Å²	31.4	50%	0.503	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.3	178.9	-54.9	0	0	0	0	113.7	N154 V155	N154-V157 HydrophobicContact CB-CG1 4.17Å; N154-V157 HydrophobicContact CB-CG2 3.55Å; N154-V157 WeakPolarHBondContact O-CG2 3.31Å; V155-V157 VanDerWaalsContact C-N 3.26Å; V155-V157 PolarHBondContact O-N 2.91Å
158	R	98.3	Very high	98.2	Very high	53 Å²	53	33.5 Å²	33.5	20%	0.2	18%	0.183	C	C	.	.	S	Bend	trans	-60.5	140.5	-178.8	-62.3	168.5	179.1	176.3	-4	110.3	Y153 V155 E156 R160 V161 K334	Y153-R158 VanDerWaalsContact CD2-NH2 3.32Å; V155-R158 VanDerWaalsContact O-CB 3.27Å; V155-R158 WeakPolarHBondContact O-CB 3.27Å; V155-R158 WeakPolarHBondContact O-CD 3.4Å; V155-R158 VanDerWaalsContact O-CG 3.23Å; V155-R158 WeakPolarHBondContact O-CG 3.3Å; V155-R158 PolarHBondContact O-N 3.42Å; V155-R158 VanDerWaalsContact O-N 3.11Å; E156-R158 VanDerWaalsContact C-N 3.29Å; E156-R158 PolarHBondContact O-N 3.13Å; R158-R160 HydrophobicContact CB-CG 4.14Å; R158-R160 PolarHBondContact O-N 2.76Å; R158-V161 HydrophobicContact CB-CG2 4.3Å; R158-V161 WeakPolarHBondContact O-CB 3.37Å; R158-V161 PolarHBondContact O-N 2.78Å; R158-K334 PolarHBondContact O-NZ 2.97Å
159	D	97.7	Very high	98.2	Very high	95 Å²	95	34 Å²	34	51%	0.508	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-32.2	-179	63.3	-16.7	0	0	0	113.6	V161 A343 V344	D159-V161 PolarHBondContact O-N 2.99Å; D159-A343 HydrophobicContact CB-CB 4.22Å; D159-V344 WeakPolarHBondContact O-CG2 3.35Å; D159-V344 PolarHBondContact O-N 2.88Å
160	R	97.9	Very high	98.3	Very high	71 Å²	71	33.5 Å²	33.5	27%	0.268	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-5	174.8	63.9	174.4	175.8	-176.2	-7.5	114.6	R158 S173 T174 Q175	R158-R160 HydrophobicContact CB-CG 4.14Å; R158-R160 PolarHBondContact O-N 2.76Å; R160-S173 CarbonylContact O-C 3.56Å; R160-S173 WeakPolarHBondContact O-CA 3.39Å; R160-T174 PolarHBondContact O-N 2.95Å; R160-T174 PolarHBondContact O-OG1 2.84Å; R160-Q175 HydrophobicContact CB-CB 4.27Å
161	V	98.6	Very high	98.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	109.4	167.5	177.2	0	0	0	0	107	V155 R158 D159 I164 P171 Q186 K334 V344	V155-V161 VanDerWaalsContact O-CG2 3.27Å; V155-V161 WeakPolarHBondContact O-CG2 3.48Å; R158-V161 HydrophobicContact CB-CG2 4.3Å; R158-V161 WeakPolarHBondContact O-CB 3.37Å; R158-V161 PolarHBondContact O-N 2.78Å; D159-V161 PolarHBondContact O-N 2.99Å; V161-I164 HydrophobicContact CG1-CD1 4.39Å; V161-P171 HydrophobicContact CG1-CB 3.73Å; V161-P171 HydrophobicContact CG2-CB 4.3Å; V161-Q186 VanDerWaalsContact CG2-CD 3.5Å; V161-Q186 HydrophobicContact CG2-CG 4.16Å; V161-K334 WeakPolarHBondContact O-CE 3.37Å; V161-K334 PolarHBondContact O-NZ 3.44Å; V161-V344 VanDerWaalsContact O-CG2 3.31Å; V161-V344 WeakPolarHBondContact O-CG2 3.28Å
162	K	98.4	Very high	98.3	Very high	20 Å²	20	32.2 Å²	32.2	9%	0.087	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	-48.7	-179.7	-166	177.6	-179.2	83.2	0	110.9	L172 T174 L303 S339	K162-L172 HydrophobicContact CD-CD2 4.42Å; K162-L172 PolarHBondContact N-O 3.27Å; K162-T174 HydrophobicContact CB-CG2 3.78Å; K162-T174 HydrophobicContact CD-CG2 3.84Å; K162-T174 HydrophobicContact CG-CG2 4.04Å; K162-L303 HydrophobicContact CD-CD2 3.9Å; K162-S339 PolarHBondContact NZ-O 2.94Å
163	C	98.6	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	174.9	173.7	60.9	0	0	0	0	110.8	P171 L172 I304 Y313 K334	C163-P171 WeakPolarHBondContact O-CA 3.37Å; C163-L172 PolarHBondContact O-N 3.14Å; C163-I304 HydrophobicContact CB-CD1 4.02Å; C163-Y313 HydrophobicContact CB-CE1 3.78Å; C163-K334 HydrophobicContact CB-CB 4.16Å
164	I	98.8	Very high	98.4	Very high	10 Å²	10	27.2 Å²	27.2	5%	0.051	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118	163.6	-53.7	-53.5	0	0	0	107.7	E156 V161 G166 P171 Y190 R326 T330	E156-I164 HydrophobicContact CB-CD1 4.06Å; V161-I164 HydrophobicContact CG1-CD1 4.39Å; I164-G166 PolarHBondContact O-N 2.95Å; I164-P171 HydrophobicContact CD1-CB 3.84Å; I164-Y190 HydrophobicContact CD1-CE2 4.15Å; I164-R326 PolarHBondContact O-NH2 2.86Å; I164-T330 HydrophobicContact CG1-CG2 4Å
165	S	98.8	Very high	98.2	Very high	8 Å²	8	25.5 Å²	25.5	6%	0.056	13%	0.133	C	C	.	.			trans	-54.1	133	-178.8	173.7	0	0	0	0	111	V167 E168 G169 V170 R326	S165-V167 VanDerWaalsContact C-N 3.33Å; S165-V167 PolarHBondContact OG-N 2.83Å; S165-E168 PolarHBondContact OG-N 2.89Å; S165-E168 VanDerWaalsContact OG-N 3.11Å; S165-G169 WeakPolarHBondContact O-CA 3.44Å; S165-G169 PolarHBondContact O-N 3.27Å; S165-V170 PolarHBondContact N-O 3.44Å; S165-R326 PolarHBondContact O-NH1 3.28Å
166	G	98.4	Very high	98	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.01	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-31.8	174.9	0	0	0	0	0	112.8	I164 G314 R318	I164-G166 PolarHBondContact O-N 2.95Å; G166-G314 CarbonylContact C-O 3.53Å; G166-G314 VanDerWaalsContact CA-O 3.26Å; G166-G314 WeakPolarHBondContact CA-O 3.49Å; G166-R318 PolarHBondContact O-NH2 2.9Å; G166-R318 VanDerWaalsContact O-NH2 3.08Å
167	V	98.5	Very high	97.7	Very high	56 Å²	56	26.7 Å²	26.7	34%	0.339	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-49.9	177.4	179.4	0	0	0	0	110.6	S165 G314	S165-V167 VanDerWaalsContact C-N 3.33Å; S165-V167 PolarHBondContact OG-N 2.83Å; V167-G314 PolarHBondContact N-O 3.38Å
168	E	98.4	Very high	97.4	Very high	43 Å²	43	25.3 Å²	25.3	20%	0.201	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-17.5	-168.2	-58.1	-63.9	162.9	0	0	114.2	S165 V170 F182 R388	S165-E168 PolarHBondContact OG-N 2.89Å; S165-E168 VanDerWaalsContact OG-N 3.11Å; E168-V170 HydrophobicContact CB-CG2 3.76Å; E168-V170 PolarHBondContact O-N 2.95Å; E168-F182 HydrophobicContact CB-CE1 4.15Å; E168-F182 HydrophobicContact CB-CZ 4.15Å; E168-F182 HydrophobicContact CG-CE1 4.02Å; E168-F182 HydrophobicContact CG-CE2 4.21Å; E168-F182 HydrophobicContact CG-CZ 3.54Å; E168-R388 IonicContact OE1-NH1 2.75Å; E168-R388 IonicContact OE2-CZ 2.78Å; E168-R388 VanDerWaalsContact OE2-CZ 3.23Å; E168-R388 IonicContact OE2-NH1 3.2Å; E168-R388 PolarHBondContact OE2-NH1 3.23Å; E168-R388 IonicContact OE2-NH2 3.55Å; E168-R388 PolarHBondContact OE2-NH2 3.36Å
169	G	98.6	Very high	97.1	Very high	20 Å²	20	28.6 Å²	28.6	21%	0.206	15%	0.148	C	C	.	.	S	Bend	trans	69.5	13	-178.4	0	0	0	0	0	115.1	S165	S165-G169 WeakPolarHBondContact O-CA 3.44Å; S165-G169 PolarHBondContact O-N 3.27Å
170	V	98.9	Very high	97	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-126.4	158.4	-176.6	-61.1	0	0	0	0	111.6	S165 E168 F182 I187 A381 A382 W385	S165-V170 PolarHBondContact N-O 3.44Å; E168-V170 HydrophobicContact CB-CG2 3.76Å; E168-V170 PolarHBondContact O-N 2.95Å; V170-F182 HydrophobicContact CG2-CD1 3.98Å; V170-F182 HydrophobicContact CG2-CE1 3.86Å; V170-I187 HydrophobicContact CB-CD1 4.47Å; V170-I187 HydrophobicContact CB-CG1 4.14Å; V170-I187 HydrophobicContact CB-CG2 3.96Å; V170-I187 HydrophobicContact CG1-CG2 3.91Å; V170-I187 HydrophobicContact CG2-CD1 3.97Å; V170-I187 HydrophobicContact CG2-CG1 4.16Å; V170-I187 HydrophobicContact CG2-CG2 4.41Å; V170-A381 VanDerWaalsContact CG1-C 3.47Å; V170-A381 HydrophobicContact CG1-CB 4.12Å; V170-A381 VanDerWaalsContact CG1-O 3.32Å; V170-A381 WeakPolarHBondContact CG1-O 3.4Å; V170-A382 HydrophobicContact CG1-CB 4.41Å; V170-W385 HydrophobicContact CG1-CB 3.96Å; V170-W385 HydrophobicContact CG1-CG 4.38Å; V170-W385 HydrophobicContact CG2-CB 4.33Å; V170-W385 HydrophobicContact CG2-CD2 4.43Å; V170-W385 HydrophobicContact CG2-CG 3.87Å
171	P	98.8	Very high	97	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	142.9	-178.2	27.3	-37.6	0	0	0	113.5	V161 C163 I164 Q186 I187 Y190	V161-P171 HydrophobicContact CG1-CB 3.73Å; V161-P171 HydrophobicContact CG2-CB 4.3Å; C163-P171 WeakPolarHBondContact O-CA 3.37Å; I164-P171 HydrophobicContact CD1-CB 3.84Å; P171-Q186 HydrophobicContact CB-CG 4.2Å; P171-Q186 HydrophobicContact CG-CG 3.98Å; P171-I187 HydrophobicContact CG-CG1 4.12Å; P171-Y190 HydrophobicContact CG-CD1 4.48Å; P171-Y190 HydrophobicContact CG-CG 4.1Å
172	L	98.4	Very high	97	Very high	12 Å²	12	25.3 Å²	25.3	6%	0.063	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.5	168.1	-159.9	84.3	0	0	0	110.1	K162 C163 Y181 F182 L303	K162-L172 HydrophobicContact CD-CD2 4.42Å; K162-L172 PolarHBondContact N-O 3.27Å; C163-L172 PolarHBondContact O-N 3.14Å; L172-Y181 VanDerWaalsContact CD1-C 3.45Å; L172-F182 HydrophobicContact CD1-CD1 3.57Å; L172-F182 HydrophobicContact CD1-CD2 3.91Å; L172-F182 HydrophobicContact CD1-CE1 3.53Å; L172-F182 HydrophobicContact CD1-CE2 3.88Å; L172-F182 HydrophobicContact CD1-CG 3.75Å; L172-F182 HydrophobicContact CD1-CZ 3.68Å; L172-L303 HydrophobicContact CD2-CD1 3.88Å; L172-L303 HydrophobicContact CD2-CD2 3.31Å; L172-L303 HydrophobicContact CD2-CG 4.23Å
173	S	98.4	Very high	97	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	144.7	-174.8	-176.1	0	0	0	0	112.5	R160 Q175 G180 Y181	R160-S173 CarbonylContact O-C 3.56Å; R160-S173 WeakPolarHBondContact O-CA 3.39Å; S173-Q175 WeakPolarHBondContact OG-CB 3.44Å; S173-Q175 PolarHBondContact OG-N 2.74Å; S173-G180 CarbonylContact O-C 3.56Å; S173-G180 VanDerWaalsContact O-CA 3.23Å; S173-G180 WeakPolarHBondContact O-CA 3.43Å; S173-Y181 PolarHBondContact N-O 3.48Å; S173-Y181 VanDerWaalsContact O-CD1 3.29Å; S173-Y181 WeakPolarHBondContact O-CD1 3.21Å; S173-Y181 PolarHBondContact O-N 3.33Å
174	T	97.8	Very high	97	Very high	2 Å²	2	25 Å²	25	1%	0.012	14%	0.135	C	C	.	.			trans	-115.9	10.7	169.4	46	0	0	0	0	113.2	R160 K162 W176 G177 K342	R160-T174 PolarHBondContact O-N 2.95Å; R160-T174 PolarHBondContact O-OG1 2.84Å; K162-T174 HydrophobicContact CB-CG2 3.78Å; K162-T174 HydrophobicContact CD-CG2 3.84Å; K162-T174 HydrophobicContact CG-CG2 4.04Å; T174-W176 VanDerWaalsContact C-N 3.29Å; T174-W176 PolarHBondContact O-N 3.36Å; T174-W176 VanDerWaalsContact O-N 3.13Å; T174-G177 CarbonylContact C-O 3.56Å; T174-G177 VanDerWaalsContact CA-O 3.26Å; T174-G177 WeakPolarHBondContact CA-O 3.36Å; T174-G177 PolarHBondContact O-N 2.66Å; T174-K342 WeakPolarHBondContact CB-O 3.36Å; T174-K342 WeakPolarHBondContact O-CB 3.42Å; T174-K342 WeakPolarHBondContact O-CG 3.39Å; T174-K342 PolarHBondContact OG1-O 3.11Å
175	Q	95.1	Very high	97	Very high	45 Å²	45	24.9 Å²	24.9	21%	0.21	13%	0.134	C	C	.	.	S	Bend	trans	-52.7	-41.2	-169	-177	174.6	-32.4	0	0	113.9	R160 S173	R160-Q175 HydrophobicContact CB-CB 4.27Å; S173-Q175 WeakPolarHBondContact OG-CB 3.44Å; S173-Q175 PolarHBondContact OG-N 2.74Å
176	W	94	Very high	97	Very high	37 Å²	37	24.6 Å²	24.6	14%	0.14	13%	0.132	C	C	.	.	S	Bend	trans	-114	-8.5	179.6	-58.6	-41.7	0	0	0	114.9	T174 Y181 Y183 K342 I398 V400 R402 W415 Y474	T174-W176 VanDerWaalsContact C-N 3.29Å; T174-W176 PolarHBondContact O-N 3.36Å; T174-W176 VanDerWaalsContact O-N 3.13Å; W176-Y181 PolarHBondContact N-OH 3.19Å; W176-Y183 HydrophobicContact CH2-CE1 4.46Å; W176-Y183 HydrophobicContact CH2-CE2 4.12Å; W176-Y183 AromaticContact CH2-CZ 3.72Å; W176-Y183 VanDerWaalsContact CH2-OH 3.28Å; W176-Y183 WeakPolarHBondContact CH2-OH 3.41Å; W176-Y183 AromaticContact CZ3-CE2 3.94Å; W176-Y183 HydrophobicContact CZ3-CE2 3.94Å; W176-Y183 AromaticContact CZ3-CZ 3.96Å; W176-K342 VanDerWaalsContact O-CE 3.31Å; W176-K342 WeakPolarHBondContact O-CE 3.41Å; W176-K342 PolarHBondContact O-NZ 3.37Å; W176-I398 HydrophobicContact CZ3-CG2 4.1Å; W176-V400 HydrophobicContact CB-CG2 4.3Å; W176-V400 HydrophobicContact CE3-CG2 3.81Å; W176-R402 HydrophobicContact CE3-CB 4.48Å; W176-R402 HydrophobicContact CZ2-CG 4.48Å; W176-W415 HydrophobicContact CE3-CZ2 4.12Å; W176-W415 AromaticContact CH2-CH2 3.68Å; W176-W415 HydrophobicContact CH2-CH2 3.68Å; W176-W415 AromaticContact CH2-CZ2 3.89Å; W176-W415 HydrophobicContact CH2-CZ2 3.89Å; W176-W415 AromaticContact CZ3-CH2 3.65Å; W176-W415 HydrophobicContact CZ3-CH2 3.65Å; W176-W415 AromaticContact CZ3-CZ2 3.4Å; W176-W415 HydrophobicContact CZ3-CZ2 3.4Å; W176-Y474 AromaticContact CH2-CE1 3.76Å; W176-Y474 HydrophobicContact CH2-CE1 3.76Å; W176-Y474 AromaticContact CZ2-CE1 3.75Å; W176-Y474 HydrophobicContact CZ2-CE1 3.75Å
177	G	90.9	Very high	97	Very high	4 Å²	4	24.6 Å²	24.6	4%	0.041	13%	0.132	C	C	.	.			trans	-154.4	136.8	179.1	0	0	0	0	0	112.4	T174 Q179	T174-G177 CarbonylContact C-O 3.56Å; T174-G177 VanDerWaalsContact CA-O 3.26Å; T174-G177 WeakPolarHBondContact CA-O 3.36Å; T174-G177 PolarHBondContact O-N 2.66Å; G177-Q179 PolarHBondContact O-N 3.1Å
178	P	93.1	Very high	97.1	Very high	54 Å²	54	21.9 Å²	21.9	35%	0.351	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.1	-176.4	29.5	-36	0	0	0	114.2	G180 N340	P178-G180 PolarHBondContact O-N 3.47Å; P178-N340 VanDerWaalsContact CB-O 3.22Å; P178-N340 WeakPolarHBondContact CB-O 3.49Å
179	Q	90.6	Very high	97.1	Very high	122 Å²	122	20.5 Å²	20.5	57%	0.57	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.8	180	68.6	-78.4	4.9	0	0	113.2	G177	G177-Q179 PolarHBondContact O-N 3.1Å
180	G	95.1	Very high	97.1	Very high	15 Å²	15	20.5 Å²	20.5	16%	0.155	10%	0.103	C	C	.	.			trans	82.5	136.7	-171.9	0	0	0	0	0	111.8	S173 P178	S173-G180 CarbonylContact O-C 3.56Å; S173-G180 VanDerWaalsContact O-CA 3.23Å; S173-G180 WeakPolarHBondContact O-CA 3.43Å; P178-G180 PolarHBondContact O-N 3.47Å
181	Y	98.2	Very high	97.1	Very high	17 Å²	17	20.5 Å²	20.5	7%	0.067	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	151.1	175.3	60.4	-78.5	0	0	0	110.1	L172 S173 W176 Y183 I398 V400	L172-Y181 VanDerWaalsContact CD1-C 3.45Å; S173-Y181 PolarHBondContact N-O 3.48Å; S173-Y181 VanDerWaalsContact O-CD1 3.29Å; S173-Y181 WeakPolarHBondContact O-CD1 3.21Å; S173-Y181 PolarHBondContact O-N 3.33Å; W176-Y181 PolarHBondContact N-OH 3.19Å; Y181-Y183 HydrophobicContact CE2-CD2 4.17Å; Y181-Y183 HydrophobicContact CE2-CG 4.04Å; Y181-Y183 PolarHBondContact O-N 3.4Å; Y181-I398 HydrophobicContact CE2-CG2 4.46Å; Y181-V400 HydrophobicContact CD1-CG1 3.54Å; Y181-V400 HydrophobicContact CD1-CG2 4.34Å; Y181-V400 HydrophobicContact CD2-CG1 4.01Å; Y181-V400 HydrophobicContact CD2-CG2 4Å; Y181-V400 HydrophobicContact CE1-CG1 3.92Å; Y181-V400 HydrophobicContact CE1-CG2 3.96Å; Y181-V400 HydrophobicContact CE2-CG1 4.33Å; Y181-V400 HydrophobicContact CE2-CG2 3.57Å; Y181-V400 HydrophobicContact CG-CG1 3.6Å; Y181-V400 HydrophobicContact CG-CG2 4.37Å
182	F	98.7	Very high	97.1	Very high	66 Å²	66	20.5 Å²	20.5	29%	0.289	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.8	171.9	-67.1	-68.4	0	0	0	109.5	E168 V170 L172 I187 W385	E168-F182 HydrophobicContact CB-CE1 4.15Å; E168-F182 HydrophobicContact CB-CZ 4.15Å; E168-F182 HydrophobicContact CG-CE1 4.02Å; E168-F182 HydrophobicContact CG-CE2 4.21Å; E168-F182 HydrophobicContact CG-CZ 3.54Å; V170-F182 HydrophobicContact CG2-CD1 3.98Å; V170-F182 HydrophobicContact CG2-CE1 3.86Å; L172-F182 HydrophobicContact CD1-CD1 3.57Å; L172-F182 HydrophobicContact CD1-CD2 3.91Å; L172-F182 HydrophobicContact CD1-CE1 3.53Å; L172-F182 HydrophobicContact CD1-CE2 3.88Å; L172-F182 HydrophobicContact CD1-CG 3.75Å; L172-F182 HydrophobicContact CD1-CZ 3.68Å; F182-I187 HydrophobicContact CB-CD1 3.94Å; F182-I187 HydrophobicContact CD1-CD1 3.98Å; F182-I187 HydrophobicContact CG-CD1 4.4Å; F182-W385 HydrophobicContact CB-CH2 3.98Å; F182-W385 HydrophobicContact CB-CZ2 3.33Å; F182-W385 HydrophobicContact CD1-CZ2 4.4Å; F182-W385 AromaticContact CD1-NE1 3.94Å; F182-W385 HydrophobicContact CD2-CZ2 4.38Å; F182-W385 AromaticContact CG-CZ2 3.81Å; F182-W385 HydrophobicContact CG-CZ2 3.81Å; F182-W385 AromaticContact CG-NE1 3.92Å
183	Y	98.8	Very high	97.1	Very high	8 Å²	8	19.9 Å²	19.9	3%	0.031	10%	0.1	C	C	.	.			trans	-126.1	106.5	-176.8	-177	-140.8	0	0	0	109.2	W176 Y181 I185 Q186 I187 I398	W176-Y183 HydrophobicContact CH2-CE1 4.46Å; W176-Y183 HydrophobicContact CH2-CE2 4.12Å; W176-Y183 AromaticContact CH2-CZ 3.72Å; W176-Y183 VanDerWaalsContact CH2-OH 3.28Å; W176-Y183 WeakPolarHBondContact CH2-OH 3.41Å; W176-Y183 AromaticContact CZ3-CE2 3.94Å; W176-Y183 HydrophobicContact CZ3-CE2 3.94Å; W176-Y183 AromaticContact CZ3-CZ 3.96Å; Y181-Y183 HydrophobicContact CE2-CD2 4.17Å; Y181-Y183 HydrophobicContact CE2-CG 4.04Å; Y181-Y183 PolarHBondContact O-N 3.4Å; Y183-I185 HydrophobicContact CD1-CB 4.22Å; Y183-I185 HydrophobicContact CE1-CB 3.77Å; Y183-I185 HydrophobicContact CE1-CD1 4.46Å; Y183-I185 HydrophobicContact CE1-CG2 4.01Å; Y183-I185 HydrophobicContact CE2-CB 4.09Å; Y183-I185 HydrophobicContact CE2-CD1 3.92Å; Y183-I185 HydrophobicContact CE2-CG1 4.29Å; Y183-I185 PolarHBondContact O-N 2.89Å; Y183-I185 VanDerWaalsContact O-N 3.1Å; Y183-I185 WeakPolarHBondContact OH-CD1 3.48Å; Y183-Q186 HydrophobicContact CD1-CB 3.94Å; Y183-Q186 WeakPolarHBondContact O-CA 3.41Å; Y183-Q186 WeakPolarHBondContact O-CB 3.38Å; Y183-Q186 PolarHBondContact O-N 2.99Å; Y183-I187 PolarHBondContact O-N 3.46Å; Y183-I398 HydrophobicContact CD2-CD1 4.42Å; Y183-I398 HydrophobicContact CD2-CG1 4.21Å; Y183-I398 HydrophobicContact CD2-CG2 4.42Å; Y183-I398 HydrophobicContact CE2-CD1 3.8Å; Y183-I398 HydrophobicContact CE2-CG1 4.1Å; Y183-I398 HydrophobicContact CE2-CG2 4.48Å
184	A	98.8	Very high	97.1	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.033	10%	0.104	C	C	.	.	H	α-helix	trans	-54.8	-34.1	-171	0	0	0	0	0	113.7	I187 A188 W385 L386 W396 A420	A184-I187 PolarHBondContact O-N 3.16Å; A184-A188 WeakPolarHBondContact O-CB 3.25Å; A184-A188 PolarHBondContact O-N 2.92Å; A184-W385 HydrophobicContact CB-CZ3 4.14Å; A184-L386 HydrophobicContact CB-CD2 4.28Å; A184-W396 HydrophobicContact CB-CB 3.59Å; A184-W396 HydrophobicContact CB-CG 3.94Å; A184-A420 HydrophobicContact CB-CB 4.28Å
185	I	98.9	Very high	97.2	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.041	11%	0.105	C	C	.	.	H	α-helix	trans	-59.9	-47.3	173.1	-75.7	166.8	0	0	0	111.4	Y183 Q189 M419 A420 Q423	Y183-I185 HydrophobicContact CD1-CB 4.22Å; Y183-I185 HydrophobicContact CE1-CB 3.77Å; Y183-I185 HydrophobicContact CE1-CD1 4.46Å; Y183-I185 HydrophobicContact CE1-CG2 4.01Å; Y183-I185 HydrophobicContact CE2-CB 4.09Å; Y183-I185 HydrophobicContact CE2-CD1 3.92Å; Y183-I185 HydrophobicContact CE2-CG1 4.29Å; Y183-I185 PolarHBondContact O-N 2.89Å; Y183-I185 VanDerWaalsContact O-N 3.1Å; Y183-I185 WeakPolarHBondContact OH-CD1 3.48Å; I185-Q189 VanDerWaalsContact CG2-NE2 3.28Å; I185-Q189 WeakPolarHBondContact O-CB 3.38Å; I185-Q189 WeakPolarHBondContact O-CG 3.23Å; I185-Q189 PolarHBondContact O-N 3.3Å; I185-M419 HydrophobicContact CD1-CB 3.91Å; I185-M419 HydrophobicContact CD1-CG 3.96Å; I185-M419 HydrophobicContact CD1-SD 4.3Å; I185-M419 HydrophobicContact CG1-CB 4.45Å; I185-M419 HydrophobicContact CG1-CG 4.18Å; I185-M419 HydrophobicContact CG2-CE 4.05Å; I185-A420 HydrophobicContact CD1-CB 4.01Å; I185-A420 VanDerWaalsContact CG1-CA 3.4Å; I185-A420 HydrophobicContact CG1-CB 3.65Å; I185-Q423 PolarHBondContact O-OE1 2.93Å
186	Q	98.8	Very high	97.4	Very high	3 Å²	3	19.1 Å²	19.1	1%	0.014	10%	0.095	C	C	.	.	H	α-helix	trans	-68.7	-37.7	-179.6	-173.2	176.2	91	0	0	111.5	V155 V161 P171 Y183 Y190	V155-Q186 HydrophobicContact CG1-CG 3.98Å; V161-Q186 VanDerWaalsContact CG2-CD 3.5Å; V161-Q186 HydrophobicContact CG2-CG 4.16Å; P171-Q186 HydrophobicContact CB-CG 4.2Å; P171-Q186 HydrophobicContact CG-CG 3.98Å; Y183-Q186 HydrophobicContact CD1-CB 3.94Å; Y183-Q186 WeakPolarHBondContact O-CA 3.41Å; Y183-Q186 WeakPolarHBondContact O-CB 3.38Å; Y183-Q186 PolarHBondContact O-N 2.99Å; Q186-Y190 WeakPolarHBondContact O-CB 3.27Å; Q186-Y190 PolarHBondContact O-N 3.07Å
187	I	98.9	Very high	97.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-68.7	-45.7	178.4	-63.6	167.5	0	0	0	110.8	V170 P171 F182 Y183 A184 Y190 G191 A382 W385	V170-I187 HydrophobicContact CB-CD1 4.47Å; V170-I187 HydrophobicContact CB-CG1 4.14Å; V170-I187 HydrophobicContact CB-CG2 3.96Å; V170-I187 HydrophobicContact CG1-CG2 3.91Å; V170-I187 HydrophobicContact CG2-CD1 3.97Å; V170-I187 HydrophobicContact CG2-CG1 4.16Å; V170-I187 HydrophobicContact CG2-CG2 4.41Å; P171-I187 HydrophobicContact CG-CG1 4.12Å; F182-I187 HydrophobicContact CB-CD1 3.94Å; F182-I187 HydrophobicContact CD1-CD1 3.98Å; F182-I187 HydrophobicContact CG-CD1 4.4Å; Y183-I187 PolarHBondContact O-N 3.46Å; A184-I187 PolarHBondContact O-N 3.16Å; I187-Y190 WeakPolarHBondContact O-CB 3.2Å; I187-Y190 PolarHBondContact O-N 2.93Å; I187-G191 PolarHBondContact O-N 2.78Å; I187-A382 HydrophobicContact CG2-CB 3.92Å; I187-A382 WeakPolarHBondContact O-CB 3.34Å; I187-W385 HydrophobicContact CB-CE3 4.39Å; I187-W385 HydrophobicContact CD1-CD2 3.63Å; I187-W385 HydrophobicContact CD1-CE3 3.55Å; I187-W385 HydrophobicContact CD1-CG 4.44Å; I187-W385 HydrophobicContact CD1-CH2 3.71Å; I187-W385 HydrophobicContact CD1-CZ2 3.77Å; I187-W385 HydrophobicContact CD1-CZ3 3.59Å; I187-W385 HydrophobicContact CG2-CD2 4.3Å; I187-W385 HydrophobicContact CG2-CE3 3.9Å
188	A	98.9	Very high	98	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.9	-42	174.8	0	0	0	0	0	111.6	A184 Y190 G191 L192 L386 Q423	A184-A188 WeakPolarHBondContact O-CB 3.25Å; A184-A188 PolarHBondContact O-N 2.92Å; A188-Y190 VanDerWaalsContact C-N 3.32Å; A188-Y190 PolarHBondContact O-N 2.82Å; A188-G191 PolarHBondContact O-N 2.99Å; A188-L192 WeakPolarHBondContact O-CB 3.32Å; A188-L192 VanDerWaalsContact O-CG 3.28Å; A188-L192 WeakPolarHBondContact O-CG 3.33Å; A188-L192 PolarHBondContact O-N 3.16Å; A188-L386 HydrophobicContact CB-CD1 4.45Å; A188-Q423 HydrophobicContact CB-CB 3.68Å
189	Q	98.9	Very high	98.2	Very high	13 Å²	13	22.4 Å²	22.4	6%	0.061	11%	0.111	C	C	.	.	H	α-helix	trans	-61.7	-40.3	174.1	-75	175.2	21.5	0	0	112.5	F150 V155 I185 S193	F150-Q189 HydrophobicContact CE2-CB 4.24Å; F150-Q189 HydrophobicContact CE2-CG 3.73Å; F150-Q189 HydrophobicContact CZ-CG 4.16Å; V155-Q189 HydrophobicContact CG2-CB 3.98Å; I185-Q189 VanDerWaalsContact CG2-NE2 3.28Å; I185-Q189 WeakPolarHBondContact O-CB 3.38Å; I185-Q189 WeakPolarHBondContact O-CG 3.23Å; I185-Q189 PolarHBondContact O-N 3.3Å; Q189-S193 WeakPolarHBondContact O-CB 3.32Å; Q189-S193 PolarHBondContact O-N 3.27Å; Q189-S193 PolarHBondContact O-OG 2.9Å; Q189-S193 VanDerWaalsContact O-OG 3.05Å
190	Y	98.9	Very high	98.6	Very high	20 Å²	20	19.5 Å²	19.5	8%	0.078	10%	0.102	C	C	.	.	H	α-helix	trans	-58.5	-53.5	174.2	176.1	-108.8	0	0	0	109.8	V155 E156 I164 P171 Q186 I187 A188 L192 S193 H194 A378 A382	V155-Y190 HydrophobicContact CB-CD2 4.49Å; E156-Y190 HydrophobicContact CB-CE2 4.37Å; I164-Y190 HydrophobicContact CD1-CE2 4.15Å; P171-Y190 HydrophobicContact CG-CD1 4.48Å; P171-Y190 HydrophobicContact CG-CG 4.1Å; Q186-Y190 WeakPolarHBondContact O-CB 3.27Å; Q186-Y190 PolarHBondContact O-N 3.07Å; I187-Y190 WeakPolarHBondContact O-CB 3.2Å; I187-Y190 PolarHBondContact O-N 2.93Å; A188-Y190 VanDerWaalsContact C-N 3.32Å; A188-Y190 PolarHBondContact O-N 2.82Å; Y190-L192 PolarHBondContact O-N 2.78Å; Y190-S193 PolarHBondContact O-N 3.36Å; Y190-S193 PolarHBondContact O-OG 3.39Å; Y190-H194 AromaticContact CD2-CD2 3.67Å; Y190-H194 AromaticContact CD2-NE2 3.69Å; Y190-H194 AromaticContact CE2-CD2 3.56Å; Y190-H194 AromaticContact CE2-NE2 3.19Å; Y190-H194 WeakPolarHBondContact CE2-NE2 3.49Å; Y190-H194 AromaticContact CZ-NE2 3.83Å; Y190-H194 PolarHBondContact O-CD2 2.93Å; Y190-H194 VanDerWaalsContact O-CD2 3.27Å; Y190-H194 PolarHBondContact O-N 3.39Å; Y190-A378 HydrophobicContact CE1-CB 3.65Å; Y190-A378 HydrophobicContact CE2-CB 4.41Å; Y190-A378 WeakPolarHBondContact OH-CB 3.32Å; Y190-A382 HydrophobicContact CD1-CB 4.49Å
191	G	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-55.9	-55.5	176.1	0	0	0	0	0	113.5	I187 A188 S193 H194 Y195 F379	I187-G191 PolarHBondContact O-N 2.78Å; A188-G191 PolarHBondContact O-N 2.99Å; G191-S193 VanDerWaalsContact C-N 3.3Å; G191-S193 PolarHBondContact O-N 2.65Å; G191-H194 PolarHBondContact O-N 3.18Å; G191-Y195 WeakPolarHBondContact O-CB 3.28Å; G191-Y195 PolarHBondContact O-N 3.23Å; G191-F379 WeakPolarHBondContact O-CD2 3.32Å
192	L	98.9	Very high	98.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-34.9	-177.8	-70.6	168	0	0	0	113.1	F147 F150 A188 Y190 S196 Q423 T427	F147-L192 HydrophobicContact CB-CB 4.17Å; F147-L192 HydrophobicContact CB-CD2 4Å; F147-L192 HydrophobicContact CD1-CB 4.32Å; F147-L192 HydrophobicContact CD1-CD1 3.81Å; F147-L192 HydrophobicContact CD1-CG 4.47Å; F147-L192 HydrophobicContact CD2-CD1 4.26Å; F147-L192 HydrophobicContact CD2-CD2 4.11Å; F147-L192 HydrophobicContact CE1-CD1 3.89Å; F147-L192 HydrophobicContact CE2-CD1 4.36Å; F147-L192 HydrophobicContact CG-CB 4.32Å; F147-L192 HydrophobicContact CG-CD1 3.98Å; F147-L192 HydrophobicContact CG-CD2 3.98Å; F147-L192 HydrophobicContact CG-CG 4.32Å; F147-L192 HydrophobicContact CZ-CD1 4.17Å; F150-L192 HydrophobicContact CD2-CB 3.66Å; F150-L192 HydrophobicContact CE2-CB 4.12Å; F150-L192 HydrophobicContact CE2-CD1 4.17Å; A188-L192 WeakPolarHBondContact O-CB 3.32Å; A188-L192 VanDerWaalsContact O-CG 3.28Å; A188-L192 WeakPolarHBondContact O-CG 3.33Å; A188-L192 PolarHBondContact O-N 3.16Å; Y190-L192 PolarHBondContact O-N 2.78Å; L192-S196 VanDerWaalsContact O-CB 3.31Å; L192-S196 WeakPolarHBondContact O-CB 3.44Å; L192-S196 PolarHBondContact O-N 3.31Å; L192-S196 PolarHBondContact O-OG 2.8Å; L192-Q423 HydrophobicContact CD1-CB 4.26Å; L192-T427 WeakPolarHBondContact CG-OG1 3.34Å
193	S	98.9	Very high	98.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-69.5	-44.5	175.6	71.8	0	0	0	0	112	F150 Y153 Q189 Y190 G191 S196 K197	F150-S193 WeakPolarHBondContact O-CA 3.26Å; F150-S193 VanDerWaalsContact O-CB 3.32Å; F150-S193 WeakPolarHBondContact O-CB 3.32Å; Y153-S193 WeakPolarHBondContact O-CB 3.39Å; Q189-S193 WeakPolarHBondContact O-CB 3.32Å; Q189-S193 PolarHBondContact O-N 3.27Å; Q189-S193 PolarHBondContact O-OG 2.9Å; Q189-S193 VanDerWaalsContact O-OG 3.05Å; Y190-S193 PolarHBondContact O-N 3.36Å; Y190-S193 PolarHBondContact O-OG 3.39Å; G191-S193 VanDerWaalsContact C-N 3.3Å; G191-S193 PolarHBondContact O-N 2.65Å; S193-S196 PolarHBondContact O-N 3.26Å; S193-K197 WeakPolarHBondContact O-CG 3.3Å; S193-K197 PolarHBondContact O-N 3.01Å
194	H	98.9	Very high	98.6	Very high	21 Å²	21	36.8 Å²	36.8	10%	0.097	19%	0.191	C	C	.	.	H	α-helix	trans	-65.3	-41.5	175.5	-81.7	-95	0	0	0	111.4	E156 Y190 G191 S196 K197 N198 H375 A378	E156-H194 IonicContact OE2-NE2 3.27Å; Y190-H194 AromaticContact CD2-CD2 3.67Å; Y190-H194 AromaticContact CD2-NE2 3.69Å; Y190-H194 AromaticContact CE2-CD2 3.56Å; Y190-H194 AromaticContact CE2-NE2 3.19Å; Y190-H194 WeakPolarHBondContact CE2-NE2 3.49Å; Y190-H194 AromaticContact CZ-NE2 3.83Å; Y190-H194 PolarHBondContact O-CD2 2.93Å; Y190-H194 VanDerWaalsContact O-CD2 3.27Å; Y190-H194 PolarHBondContact O-N 3.39Å; G191-H194 PolarHBondContact O-N 3.18Å; H194-S196 VanDerWaalsContact C-N 3.32Å; H194-S196 PolarHBondContact O-N 3.32Å; H194-K197 PolarHBondContact O-N 2.86Å; H194-N198 WeakPolarHBondContact O-CB 3.4Å; H194-N198 PolarHBondContact O-N 2.99Å; H194-H375 HydrophobicContact CB-CB 4.14Å; H194-H375 WeakPolarHBondContact CB-O 3.19Å; H194-H375 AromaticContact CE1-ND1 3.91Å; H194-H375 AromaticContact CG-ND1 3.82Å; H194-H375 AromaticContact ND1-CG 3.97Å; H194-H375 AromaticContact ND1-ND1 3.07Å; H194-H375 PolarHBondContact ND1-ND1 3.06Å; H194-H375 WeakPolarHBondContact O-CB 3.35Å; H194-A378 HydrophobicContact CB-CB 3.94Å; H194-A378 VanDerWaalsContact CG-CB 3.49Å
195	Y	98.9	Very high	98.5	Very high	9 Å²	9	41.4 Å²	41.4	4%	0.035	21%	0.212	C	C	.	.	H	α-helix	trans	-55	-48.1	172.2	-176.1	-88.1	0	0	0	112	E144 G191 N198 L199 F379 R430 L434	E144-Y195 PolarHBondContact O-OH 3.07Å; G191-Y195 WeakPolarHBondContact O-CB 3.28Å; G191-Y195 PolarHBondContact O-N 3.23Å; Y195-N198 WeakPolarHBondContact O-CB 3.44Å; Y195-N198 PolarHBondContact O-N 2.88Å; Y195-L199 HydrophobicContact CD1-CD1 4.09Å; Y195-L199 HydrophobicContact CE1-CD1 3.59Å; Y195-L199 HydrophobicContact CE1-CG 4.36Å; Y195-L199 PolarHBondContact O-N 2.93Å; Y195-F379 HydrophobicContact CD2-CD1 4.14Å; Y195-F379 AromaticContact CD2-CD2 3.94Å; Y195-F379 HydrophobicContact CD2-CD2 3.94Å; Y195-F379 AromaticContact CD2-CE1 3.96Å; Y195-F379 HydrophobicContact CD2-CE1 3.96Å; Y195-F379 AromaticContact CD2-CE2 3.74Å; Y195-F379 HydrophobicContact CD2-CE2 3.74Å; Y195-F379 HydrophobicContact CD2-CG 4.1Å; Y195-F379 AromaticContact CD2-CZ 3.74Å; Y195-F379 HydrophobicContact CD2-CZ 3.74Å; Y195-F379 HydrophobicContact CE2-CE1 4.42Å; Y195-F379 HydrophobicContact CE2-CZ 4.24Å; Y195-F379 HydrophobicContact CG-CD2 4.22Å; Y195-F379 HydrophobicContact CG-CE2 4.16Å; Y195-R430 HydrophobicContact CD1-CG 4.42Å; Y195-R430 HydrophobicContact CD2-CB 4.16Å; Y195-R430 HydrophobicContact CE1-CB 4.47Å; Y195-R430 HydrophobicContact CE1-CG 3.94Å; Y195-R430 HydrophobicContact CE2-CB 3.76Å; Y195-R430 HydrophobicContact CE2-CG 4.12Å; Y195-L434 HydrophobicContact CD2-CD1 4.23Å; Y195-L434 HydrophobicContact CE2-CD1 3.63Å; Y195-L434 HydrophobicContact CE2-CG 4.18Å
196	S	98.8	Very high	98.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-40.7	-179.8	-61.2	0	0	0	0	112.7	F147 L192 S193 H194 L199 T200	F147-S196 PolarHBondContact N-OG 3.28Å; L192-S196 VanDerWaalsContact O-CB 3.31Å; L192-S196 WeakPolarHBondContact O-CB 3.44Å; L192-S196 PolarHBondContact O-N 3.31Å; L192-S196 PolarHBondContact O-OG 2.8Å; S193-S196 PolarHBondContact O-N 3.26Å; H194-S196 VanDerWaalsContact C-N 3.32Å; H194-S196 PolarHBondContact O-N 3.32Å; S196-L199 PolarHBondContact O-N 2.9Å; S196-T200 PolarHBondContact O-N 3.13Å; S196-T200 PolarHBondContact O-OG1 2.8Å
197	K	98.8	Very high	98.3	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-39.4	174	-71.5	178.1	-172.4	123.9	0	112	E151 Y153 N154 S193 H194 L199 T200 E201 H375	E151-K197 WeakPolarHBondContact O-CE 3.5Å; E151-K197 WeakPolarHBondContact O-CG 3.41Å; Y153-K197 WeakPolarHBondContact O-CE 3.48Å; Y153-K197 PolarHBondContact O-NZ 3.22Å; N154-K197 VanDerWaalsContact OD1-CE 3.27Å; N154-K197 WeakPolarHBondContact OD1-CE 3.2Å; N154-K197 PolarHBondContact OD1-NZ 3.07Å; N154-K197 VanDerWaalsContact OD1-NZ 3.13Å; S193-K197 WeakPolarHBondContact O-CG 3.3Å; S193-K197 PolarHBondContact O-N 3.01Å; H194-K197 PolarHBondContact O-N 2.86Å; K197-L199 PolarHBondContact O-N 3.23Å; K197-L199 VanDerWaalsContact O-N 3.16Å; K197-T200 PolarHBondContact O-N 2.82Å; K197-T200 PolarHBondContact O-OG1 3.24Å; K197-E201 HydrophobicContact CB-CG 4.19Å; K197-E201 WeakPolarHBondContact CD-OE1 3.45Å; K197-E201 WeakPolarHBondContact CG-OE1 3.49Å; K197-E201 WeakPolarHBondContact O-CB 3.49Å; K197-E201 PolarHBondContact O-N 3.1Å; K197-H375 VanDerWaalsContact CB-CE1 3.44Å; K197-H375 WeakPolarHBondContact CB-CE1 3.44Å
198	N	98.7	Very high	98.1	Very high	74 Å²	74	50.9 Å²	50.9	40%	0.396	27%	0.266	S	S	.	.	H	α-helix	trans	-56.9	-32.3	175.6	-173.4	80.1	0	0	0	112.9	H194 Y195 H375 M376	H194-N198 WeakPolarHBondContact O-CB 3.4Å; H194-N198 PolarHBondContact O-N 2.99Å; Y195-N198 WeakPolarHBondContact O-CB 3.44Å; Y195-N198 PolarHBondContact O-N 2.88Å; N198-H375 HydrophobicContact CB-CB 3.81Å; N198-M376 HydrophobicContact CB-SD 3.98Å; N198-M376 WeakPolarHBondContact OD1-CG 3.36Å
199	L	98.4	Very high	97.7	Very high	85 Å²	85	51.2 Å²	51.2	45%	0.445	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-15.1	178.6	-63.6	178.3	0	0	0	113.9	V146 Y195 S196 K197	V146-L199 HydrophobicContact CG2-CB 4.21Å; V146-L199 HydrophobicContact CG2-CD1 4.15Å; Y195-L199 HydrophobicContact CD1-CD1 4.09Å; Y195-L199 HydrophobicContact CE1-CD1 3.59Å; Y195-L199 HydrophobicContact CE1-CG 4.36Å; Y195-L199 PolarHBondContact O-N 2.93Å; S196-L199 PolarHBondContact O-N 2.9Å; K197-L199 PolarHBondContact O-N 3.23Å; K197-L199 VanDerWaalsContact O-N 3.16Å
200	T	98.2	Very high	97.3	Very high	61 Å²	61	51 Å²	51	37%	0.374	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-28.1	-165.9	53.4	0	0	0	0	114.4	V146 E151 S196 K197	V146-T200 HydrophobicContact CG2-CG2 3.77Å; E151-T200 WeakPolarHBondContact OE2-CG2 3.32Å; S196-T200 PolarHBondContact O-N 3.13Å; S196-T200 PolarHBondContact O-OG1 2.8Å; K197-T200 PolarHBondContact O-N 2.82Å; K197-T200 PolarHBondContact O-OG1 3.24Å
201	E	98.2	Very high	96.6	Very high	87 Å²	87	52.5 Å²	52.5	41%	0.407	28%	0.278	S	S	.	.	S	Bend	trans	-79.9	161.8	172.7	-63.5	-170.7	-165.1	0	0	111	K197 H375	K197-E201 HydrophobicContact CB-CG 4.19Å; K197-E201 WeakPolarHBondContact CD-OE1 3.45Å; K197-E201 WeakPolarHBondContact CG-OE1 3.49Å; K197-E201 WeakPolarHBondContact O-CB 3.49Å; K197-E201 PolarHBondContact O-N 3.1Å; E201-H375 IonicContact OE2-CE1 3.23Å; E201-H375 IonicContact OE2-NE2 2.78Å; E201-H375 PolarHBondContact OE2-NE2 3.49Å
202	R	97.7	Very high	95.9	Very high	235 Å²	235	52.5 Å²	52.5	89%	0.887	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-71.6	151	175.4	-63.9	179.9	-178.9	178.6	0.9	109.4
203	A	97.1	Very high	94.8	Very high	96 Å²	96	58 Å²	58	79%	0.793	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-52.5	135.6	172.7	0	0	0	0	0	110.6
204	P	97.7	Very high	93.1	Very high	51 Å²	51	62.2 Å²	62.2	33%	0.331	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-68.4	148	-175.1	26.9	-33.8	0	0	0	111.2	V206 T373	P204-V206 HydrophobicContact CG-CG2 4.25Å; P204-T373 WeakPolarHBondContact CG-O 3.28Å
205	H	97.6	Very high	90.7	Very high	100 Å²	100	71.1 Å²	71.1	46%	0.463	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-66.7	138.2	157.4	174.8	-103.9	0	0	0	108.2	D265 S371 T372	H205-D265 IonicContact CE1-OD2 3.94Å; H205-D265 IonicContact CG-OD2 3.64Å; H205-D265 IonicContact ND1-OD2 2.8Å; H205-D265 PolarHBondContact ND1-OD2 2.98Å; H205-S371 CarbonylContact O-C 3.49Å; H205-S371 WeakPolarHBondContact O-CA 3.5Å; H205-S371 WeakPolarHBondContact O-CB 3.45Å; H205-T372 PolarHBondContact N-OG1 3.47Å; H205-T372 VanDerWaalsContact N-OG1 3.16Å; H205-T372 PolarHBondContact O-N 2.92Å
206	V	97	Very high	88.2	Confident	76 Å²	76	76.1 Å²	76.1	46%	0.461	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	116	178.4	-175.2	0	0	0	0	108.2	P204 T369	P204-V206 HydrophobicContact CG-CG2 4.25Å; V206-T369 HydrophobicContact CG1-CG2 4.41Å
207	E	95.6	Very high	85.6	Confident	61 Å²	61	81.8 Å²	81.8	29%	0.285	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.9	175.5	-165.1	174.2	155.7	0	0	109.3	Y209 N262 T369 I370	E207-Y209 HydrophobicContact CB-CE2 4.05Å; E207-Y209 VanDerWaalsContact CD-CZ 3.49Å; E207-Y209 HydrophobicContact CG-CE1 4.42Å; E207-Y209 HydrophobicContact CG-CE2 3.98Å; E207-Y209 WeakPolarHBondContact OE1-CE1 3.46Å; E207-Y209 VanDerWaalsContact OE1-CZ 3.29Å; E207-Y209 PolarHBondContact OE1-OH 3.31Å; E207-Y209 PolarHBondContact OE2-OH 2.81Å; E207-Y209 VanDerWaalsContact OE2-OH 3.09Å; E207-N262 PolarHBondContact OE2-ND2 3.37Å; E207-T369 CarbonylContact O-C 3.48Å; E207-T369 WeakPolarHBondContact O-CA 3.31Å; E207-T369 WeakPolarHBondContact O-CB 3.25Å; E207-I370 PolarHBondContact N-O 3.18Å; E207-I370 PolarHBondContact O-N 3.29Å
208	V	94.3	Very high	83.2	Confident	74 Å²	74	92.2 Å²	92.2	45%	0.448	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.8	-179.6	-174.9	0	0	0	0	109	T211 T369	V208-T211 HydrophobicContact CG1-CG2 3.5Å; V208-T369 HydrophobicContact CB-CG2 4.31Å; V208-T369 HydrophobicContact CG1-CG2 4.25Å; V208-T369 HydrophobicContact CG2-CG2 3.92Å
209	Y	92.1	Very high	81	Confident	7 Å²	7	94.5 Å²	94.5	3%	0.027	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-41.5	-176.3	-68.6	-87.6	0	0	0	112.6	E207 S220 A222 L260 N262 I368 I370	E207-Y209 HydrophobicContact CB-CE2 4.05Å; E207-Y209 VanDerWaalsContact CD-CZ 3.49Å; E207-Y209 HydrophobicContact CG-CE1 4.42Å; E207-Y209 HydrophobicContact CG-CE2 3.98Å; E207-Y209 WeakPolarHBondContact OE1-CE1 3.46Å; E207-Y209 VanDerWaalsContact OE1-CZ 3.29Å; E207-Y209 PolarHBondContact OE1-OH 3.31Å; E207-Y209 PolarHBondContact OE2-OH 2.81Å; E207-Y209 VanDerWaalsContact OE2-OH 3.09Å; Y209-S220 PolarHBondContact O-OG 3.3Å; Y209-A222 HydrophobicContact CD1-CB 3.81Å; Y209-A222 HydrophobicContact CG-CB 4.5Å; Y209-L260 HydrophobicContact CD1-CB 4.43Å; Y209-L260 HydrophobicContact CD1-CD2 3.44Å; Y209-L260 VanDerWaalsContact CD1-CD2 3.44Å; Y209-L260 HydrophobicContact CD2-CD2 3.71Å; Y209-L260 HydrophobicContact CE1-CB 4.04Å; Y209-L260 HydrophobicContact CE1-CD2 3.85Å; Y209-L260 VanDerWaalsContact CE1-O 3.27Å; Y209-L260 WeakPolarHBondContact CE1-O 3.23Å; Y209-L260 HydrophobicContact CE2-CD2 4.05Å; Y209-L260 HydrophobicContact CG-CD2 3.39Å; Y209-N262 WeakPolarHBondContact OH-CB 3.38Å; Y209-N262 PolarHBondContact OH-ND2 3.17Å; Y209-I368 PolarHBondContact N-O 3.3Å; Y209-I370 HydrophobicContact CD2-CG1 4.4Å; Y209-I370 HydrophobicContact CE2-CB 3.91Å; Y209-I370 HydrophobicContact CE2-CD1 3.77Å; Y209-I370 HydrophobicContact CE2-CG1 3.69Å
210	D	89.3	Confident	78.9	Confident	8 Å²	8	92.2 Å²	92.2	4%	0.043	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	123.4	179.4	-169.4	18.2	0	0	0	111.2	A212 W224 R245 L258 N367 I368	D210-A212 PolarHBondContact OD1-N 3.14Å; D210-W224 PolarHBondContact OD2-NE1 3.47Å; D210-R245 IonicContact OD1-CZ 3.52Å; D210-R245 IonicContact OD1-NE 3.64Å; D210-R245 PolarHBondContact OD1-NE 2.87Å; D210-R245 IonicContact OD1-NH2 3.6Å; D210-R245 PolarHBondContact OD1-NH2 3.18Å; D210-R245 WeakPolarHBondContact OD2-CG 3.43Å; D210-R245 IonicContact OD2-CZ 3.49Å; D210-R245 IonicContact OD2-NE 3.21Å; D210-R245 PolarHBondContact OD2-NE 2.63Å; D210-R245 IonicContact OD2-NH2 2.9Å; D210-L258 HydrophobicContact CB-CD2 4.42Å; D210-N367 PolarHBondContact O-N 3.25Å; D210-I368 HydrophobicContact CB-CD1 4.45Å; D210-I368 PolarHBondContact O-N 3.07Å
211	T	84.8	Confident	76.9	Confident	51 Å²	51	95.9 Å²	95.9	31%	0.313	50%	0.498	S	S	.	.			trans	-110.6	4.5	172.2	58.9	0	0	0	0	112.1	V208 E213 D366	V208-T211 HydrophobicContact CG1-CG2 3.5Å; T211-E213 PolarHBondContact O-N 3.15Å; T211-D366 VanDerWaalsContact C-OD1 3.28Å; T211-D366 WeakPolarHBondContact CA-OD1 3.4Å
212	A	83.5	Confident	75.7	Confident	0 Å²	0	92.6 Å²	92.6	0%	0	49%	0.485	C	S	.	.	S	Bend	trans	54.3	5.1	-172.4	0	0	0	0	0	116.2	D210 R234 S243 R245	D210-A212 PolarHBondContact OD1-N 3.14Å; A212-R234 WeakPolarHBondContact O-CD 3.47Å; A212-R234 PolarHBondContact O-NE 3.09Å; A212-R234 PolarHBondContact O-NH2 2.79Å; A212-S243 WeakPolarHBondContact CB-O 3.37Å; A212-S243 WeakPolarHBondContact O-CB 3.5Å; A212-R245 HydrophobicContact CB-CG 4.11Å
213	E	76.6	Confident	75.2	Confident	115 Å²	115	84.9 Å²	84.9	54%	0.537	47%	0.468	S	S	.	.			trans	-105.5	50.4	179.2	-64.4	-157.6	153.8	0	0	112.5	T211 K215 T242	T211-E213 PolarHBondContact O-N 3.15Å; E213-K215 PolarHBondContact O-N 2.72Å; E213-T242 PolarHBondContact OE1-OG1 2.86Å
214	E	63.4	Low	75.1	Confident	90 Å²	90	82.7 Å²	82.7	42%	0.421	44%	0.439	S	S	.	.			trans	-73.7	108.4	178.9	-64.1	168.5	131.3	0	0	111.1	R234 R245	E214-R234 VanDerWaalsContact CB-NH2 3.32Å; E214-R234 PolarHBondContact O-NH1 3.21Å; E214-R234 IonicContact OE2-NH2 2.96Å; E214-R234 PolarHBondContact OE2-NH2 3.37Å; E214-R245 IonicContact OE2-NH2 2.94Å
215	K	48.7	Very low	75	Confident	208 Å²	208	83.1 Å²	83.1	90%	0.904	44%	0.443	S	S	*	.	S	Bend	trans	-105.5	-10.2	151.2	-97.1	-172.6	178.6	179.2	0	113.9	E213	E213-K215 PolarHBondContact O-N 2.72Å
216	D	44.9	Very low	75	Confident	114 Å²	114	81.5 Å²	81.5	61%	0.61	44%	0.44	S	S	*	.			trans	-127.8	106.6	175.7	-93.1	-41.1	0	0	0	111.7	R218 V219	D216-R218 PolarHBondContact O-N 3.32Å; D216-V219 PolarHBondContact O-N 3.31Å
217	S	46	Very low	74.9	Confident	118 Å²	118	79.1 Å²	79.1	83%	0.825	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	17.3	175	48.9	0	0	0	0	114.7
218	R	47.9	Very low	74.9	Confident	226 Å²	226	86.3 Å²	86.3	85%	0.853	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-8.4	-178.2	-66.6	-175.8	178.8	-178.4	0.7	114.1	D216	D216-R218 PolarHBondContact O-N 3.32Å
219	V	52	Low	74.9	Confident	121 Å²	121	86 Å²	86	73%	0.733	47%	0.469	S	S	*	.	S	Bend	trans	-109.1	-27.6	-168.5	-175.1	0	0	0	0	114.4	D216	D216-V219 PolarHBondContact O-N 3.31Å
220	S	54	Low	75.1	Confident	37 Å²	37	86.6 Å²	86.6	26%	0.259	47%	0.473	S	S	.	.			trans	-108.5	114.9	173	-175.6	0	0	0	0	111.8	Y209 A222	Y209-S220 PolarHBondContact O-OG 3.3Å; S220-A222 VanDerWaalsContact C-N 3.3Å; S220-A222 PolarHBondContact OG-N 2.89Å
221	T	57.3	Low	75.5	Confident	139 Å²	139	89.1 Å²	89.1	85%	0.853	49%	0.492	S	S	*	.			trans	-87.8	-0.1	170.2	51.9	0	0	0	0	112.6	S223	T221-S223 PolarHBondContact O-N 3.19Å
222	A	71.9	Confident	76.1	Confident	18 Å²	18	88.5 Å²	88.5	15%	0.149	49%	0.486	C	S	.	.			trans	-86.8	108.4	-170.1	0	0	0	0	0	110.8	Y209 S220 L258 Q259	Y209-A222 HydrophobicContact CD1-CB 3.81Å; Y209-A222 HydrophobicContact CG-CB 4.5Å; S220-A222 VanDerWaalsContact C-N 3.3Å; S220-A222 PolarHBondContact OG-N 2.89Å; A222-L258 HydrophobicContact CB-CD1 3.68Å; A222-L258 HydrophobicContact CB-CG 4.37Å; A222-Q259 WeakPolarHBondContact CB-O 3.21Å
223	S	87	Confident	76.6	Confident	73 Å²	73	91.2 Å²	91.2	51%	0.51	51%	0.505	S	S	.	.			trans	-87.9	130.6	-179	62.4	0	0	0	0	111.9	T221 Q259	T221-S223 PolarHBondContact O-N 3.19Å; S223-Q259 PolarHBondContact O-N 2.88Å
224	W	94.5	Very high	77.5	Confident	49 Å²	49	90.4 Å²	90.4	19%	0.186	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	139.8	166.8	-72.9	97.5	0	0	0	111.4	D210 L232 R245 V256 S257 L258 L359 V365 I368	D210-W224 PolarHBondContact OD2-NE1 3.47Å; W224-L232 HydrophobicContact CB-CD2 3.62Å; W224-L232 HydrophobicContact CD2-CD2 3.31Å; W224-L232 HydrophobicContact CE3-CD2 3.7Å; W224-L232 HydrophobicContact CG-CD2 3.3Å; W224-L232 HydrophobicContact CZ3-CD2 4.46Å; W224-R245 HydrophobicContact CZ2-CG 4.44Å; W224-V256 HydrophobicContact CE3-CG1 3.51Å; W224-V256 HydrophobicContact CZ3-CG1 3.76Å; W224-S257 CarbonylContact C-O 3.57Å; W224-S257 VanDerWaalsContact CA-O 3.28Å; W224-S257 WeakPolarHBondContact CA-O 3.36Å; W224-L258 HydrophobicContact CD2-CB 3.92Å; W224-L258 HydrophobicContact CD2-CD1 3.89Å; W224-L258 HydrophobicContact CD2-CG 4.39Å; W224-L258 HydrophobicContact CE3-CB 3.73Å; W224-L258 HydrophobicContact CG-CD1 3.95Å; W224-L258 HydrophobicContact CH2-CB 3.92Å; W224-L258 HydrophobicContact CH2-CD2 4.31Å; W224-L258 HydrophobicContact CZ2-CB 4.08Å; W224-L258 HydrophobicContact CZ2-CD1 4.42Å; W224-L258 HydrophobicContact CZ2-CD2 3.86Å; W224-L258 HydrophobicContact CZ2-CG 4.36Å; W224-L258 HydrophobicContact CZ3-CB 3.75Å; W224-L359 HydrophobicContact CH2-CD1 3.68Å; W224-L359 HydrophobicContact CZ3-CD1 3.88Å; W224-L359 HydrophobicContact CZ3-CG 4.46Å; W224-V365 HydrophobicContact CH2-CG1 4.26Å; W224-V365 HydrophobicContact CZ2-CG1 4.46Å; W224-I368 HydrophobicContact CH2-CD1 3.92Å; W224-I368 HydrophobicContact CZ2-CD1 3.7Å
225	S	96.4	Very high	79	Confident	60 Å²	60	88.4 Å²	88.4	42%	0.42	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.6	167.6	-179.4	0	0	0	0	109.4	S257	S225-S257 PolarHBondContact N-O 2.77Å; S225-S257 PolarHBondContact O-N 2.95Å
226	V	96.8	Very high	81.2	Confident	66 Å²	66	84.3 Å²	84.3	40%	0.4	48%	0.475	S	S	.	.			trans	-121.3	99.1	-176.5	-172.1	0	0	0	0	108.7	C230 L232 V256	V226-C230 HydrophobicContact CG1-CB 3.94Å; V226-C230 WeakPolarHBondContact CG1-O 3.22Å; V226-L232 HydrophobicContact CG2-CB 3.77Å; V226-L232 HydrophobicContact CG2-CD2 4.35Å; V226-V256 HydrophobicContact CG1-CG2 4.38Å; V226-V256 HydrophobicContact CG2-CG1 4.19Å
227	P	96.2	Very high	83.6	Confident	26 Å²	26	79.7 Å²	79.7	17%	0.169	45%	0.45	C	S	.	.			trans	-63.3	164.2	178.4	-23.2	34	0	0	0	113.3	G229 C230 E254 G255	P227-G229 PolarHBondContact O-N 2.85Å; P227-C230 WeakPolarHBondContact O-CB 3.44Å; P227-C230 PolarHBondContact O-N 2.91Å; P227-E254 HydrophobicContact CG-CB 4.05Å; P227-G255 VanDerWaalsContact CD-O 3.26Å; P227-G255 WeakPolarHBondContact CD-O 3.41Å; P227-G255 WeakPolarHBondContact CG-O 3.41Å
228	K	95	Very high	85.9	Confident	212 Å²	212	82.8 Å²	82.8	92%	0.922	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	131.3	174.6	-71.5	-176	-179.7	178.8	0	110.3	C230	K228-C230 VanDerWaalsContact C-N 3.32Å
229	G	94.1	Very high	88	Confident	69 Å²	69	77.2 Å²	77.2	71%	0.711	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-3.3	-177.6	0	0	0	0	0	114.6	P227	P227-G229 PolarHBondContact O-N 2.85Å
230	C	97.6	Very high	89.8	Confident	18 Å²	18	75.4 Å²	75.4	12%	0.122	42%	0.42	C	S	.	.			trans	-101.7	160.6	170.3	-54.4	0	0	0	0	110.9	V226 P227 K228 S248 A249 S253 V256	V226-C230 HydrophobicContact CG1-CB 3.94Å; V226-C230 WeakPolarHBondContact CG1-O 3.22Å; P227-C230 WeakPolarHBondContact O-CB 3.44Å; P227-C230 PolarHBondContact O-N 2.91Å; K228-C230 VanDerWaalsContact C-N 3.32Å; C230-S248 CarbonylContact C-O 3.58Å; C230-S248 WeakPolarHBondContact CA-O 3.49Å; C230-A249 HydrophobicContact CB-CB 4.28Å; C230-S253 PolarHBondContact SG-OG 2.56Å; C230-V256 HydrophobicContact CB-CG2 3.75Å
231	S	96.8	Very high	91.6	Very high	61 Å²	61	78 Å²	78	43%	0.427	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	147.9	170.9	67.9	0	0	0	0	111.8	F247 S248	S231-F247 WeakPolarHBondContact O-CA 3.44Å; S231-S248 PolarHBondContact N-O 2.84Å; S231-S248 PolarHBondContact O-N 2.75Å; S231-S248 WeakPolarHBondContact OG-CB 3.43Å
232	L	96.8	Very high	93.3	Very high	39 Å²	39	72.5 Å²	72.5	20%	0.204	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	121.8	171.9	-173.8	71.8	0	0	0	108	W224 V226 R245 S246 F247 V256	W224-L232 HydrophobicContact CB-CD2 3.62Å; W224-L232 HydrophobicContact CD2-CD2 3.31Å; W224-L232 HydrophobicContact CE3-CD2 3.7Å; W224-L232 HydrophobicContact CG-CD2 3.3Å; W224-L232 HydrophobicContact CZ3-CD2 4.46Å; V226-L232 HydrophobicContact CG2-CB 3.77Å; V226-L232 HydrophobicContact CG2-CD2 4.35Å; L232-R245 HydrophobicContact CD1-CB 3.92Å; L232-S246 CarbonylContact C-O 3.57Å; L232-S246 WeakPolarHBondContact CA-O 3.46Å; L232-F247 HydrophobicContact CD1-CB 3.9Å; L232-V256 HydrophobicContact CB-CG1 4.11Å; L232-V256 HydrophobicContact CD1-CG1 4.14Å; L232-V256 HydrophobicContact CD2-CG1 4.02Å; L232-V256 HydrophobicContact CG-CG1 4.32Å
233	S	94.9	Very high	94.3	Very high	56 Å²	56	73 Å²	73	39%	0.392	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152.2	179	63.4	0	0	0	0	111.3	R245 S246	S233-R245 CarbonylContact O-C 3.58Å; S233-R245 WeakPolarHBondContact O-CA 3.38Å; S233-S246 PolarHBondContact N-O 2.94Å; S233-S246 PolarHBondContact O-N 3.28Å
234	R	94.8	Very high	94.7	Very high	99 Å²	99	69.5 Å²	69.5	37%	0.374	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	126.6	169	-179.4	-179.7	-64.6	-179.1	-5.7	108.2	A212 E214 V244	A212-R234 WeakPolarHBondContact O-CD 3.47Å; A212-R234 PolarHBondContact O-NE 3.09Å; A212-R234 PolarHBondContact O-NH2 2.79Å; E214-R234 VanDerWaalsContact CB-NH2 3.32Å; E214-R234 PolarHBondContact O-NH1 3.21Å; E214-R234 IonicContact OE2-NH2 2.96Å; E214-R234 PolarHBondContact OE2-NH2 3.37Å; R234-V244 WeakPolarHBondContact CA-O 3.39Å
235	V	95.8	Very high	94.8	Very high	48 Å²	48	68.6 Å²	68.6	29%	0.291	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	151.7	175.8	-59.2	0	0	0	0	109.9	S243 V244 F364	V235-S243 CarbonylContact O-C 3.58Å; V235-S243 WeakPolarHBondContact O-CA 3.49Å; V235-V244 HydrophobicContact CG2-CG2 3.66Å; V235-V244 PolarHBondContact N-O 3.13Å; V235-V244 PolarHBondContact O-N 3.13Å; V235-F364 HydrophobicContact CG2-CD1 4.01Å; V235-F364 HydrophobicContact CG2-CE1 3.88Å
236	H	95.3	Very high	94.9	Very high	122 Å²	122	67.2 Å²	67.2	57%	0.565	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.2	175.3	-172.7	68.1	0	0	0	110.1	T242	H236-T242 PolarHBondContact ND1-O 2.63Å
237	D	94.5	Very high	94.9	Very high	17 Å²	17	64.1 Å²	64.1	9%	0.091	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	108.6	175	-172.9	-50	0	0	0	109.6	T239 R240 S241 T242 V244 W321	D237-T239 VanDerWaalsContact C-N 3.25Å; D237-T239 PolarHBondContact O-N 2.94Å; D237-T239 WeakPolarHBondContact OD1-CA 3.49Å; D237-T239 WeakPolarHBondContact OD1-CB 3.28Å; D237-T239 PolarHBondContact OD1-N 3.05Å; D237-T239 PolarHBondContact OD1-OG1 3.13Å; D237-R240 PolarHBondContact O-N 3.49Å; D237-R240 PolarHBondContact OD1-N 3.06Å; D237-S241 WeakPolarHBondContact O-CA 3.16Å; D237-S241 PolarHBondContact O-N 3.06Å; D237-T242 PolarHBondContact N-O 2.91Å; D237-V244 HydrophobicContact CB-CG1 4.1Å; D237-V244 HydrophobicContact CB-CG2 3.99Å; D237-W321 PolarHBondContact OD2-NE1 3.25Å
238	K	93.6	Very high	95	Very high	182 Å²	182	64.7 Å²	64.7	79%	0.791	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.3	-178.8	-64.2	-176.7	-179.4	-179.4	0	113.5	R240	K238-R240 VanDerWaalsContact C-N 3.35Å
239	T	92.3	Very high	95.2	Very high	110 Å²	110	54.7 Å²	54.7	68%	0.675	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-31.3	-178.1	66.8	0	0	0	0	112	D237	D237-T239 VanDerWaalsContact C-N 3.25Å; D237-T239 PolarHBondContact O-N 2.94Å; D237-T239 WeakPolarHBondContact OD1-CA 3.49Å; D237-T239 WeakPolarHBondContact OD1-CB 3.28Å; D237-T239 PolarHBondContact OD1-N 3.05Å; D237-T239 PolarHBondContact OD1-OG1 3.13Å
240	R	90.5	Very high	95.3	Very high	83 Å²	83	54.3 Å²	54.3	31%	0.313	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-10.1	177	-66.6	-173.6	62.4	135	2.8	113.7	D237 K238 T242 D271 W321	D237-R240 PolarHBondContact O-N 3.49Å; D237-R240 PolarHBondContact OD1-N 3.06Å; K238-R240 VanDerWaalsContact C-N 3.35Å; R240-T242 HydrophobicContact CB-CG2 3.72Å; R240-T242 PolarHBondContact O-N 3.36Å; R240-D271 IonicContact CZ-OD2 3.99Å; R240-D271 VanDerWaalsContact NH1-CG 3.32Å; R240-D271 IonicContact NH1-OD1 2.73Å; R240-D271 IonicContact NH1-OD2 2.86Å; R240-D271 PolarHBondContact NH1-OD2 3.31Å; R240-D271 IonicContact NH2-OD2 3.76Å; R240-D271 PolarHBondContact NH2-OD2 3.35Å; R240-W321 VanDerWaalsContact CD-CD2 3.46Å; R240-W321 VanDerWaalsContact CD-CE2 3.41Å; R240-W321 HydrophobicContact CG-CG 4.31Å; R240-W321 VanDerWaalsContact NH1-CE3 3.32Å
241	S	91.4	Very high	94.9	Very high	92 Å²	92	59 Å²	59	64%	0.643	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	34.9	-174.9	-58.7	0	0	0	0	113.2	D237	D237-S241 WeakPolarHBondContact O-CA 3.16Å; D237-S241 PolarHBondContact O-N 3.06Å
242	T	92.9	Very high	94.7	Very high	23 Å²	23	61.9 Å²	61.9	14%	0.141	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	160.3	179.8	-172.9	0	0	0	0	110.8	E213 H236 D237 R240 V244	E213-T242 PolarHBondContact OE1-OG1 2.86Å; H236-T242 PolarHBondContact ND1-O 2.63Å; D237-T242 PolarHBondContact N-O 2.91Å; R240-T242 HydrophobicContact CB-CG2 3.72Å; R240-T242 PolarHBondContact O-N 3.36Å; T242-V244 HydrophobicContact CG2-CG1 3.82Å
243	S	93.9	Very high	94.6	Very high	28 Å²	28	61.4 Å²	61.4	20%	0.196	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	141.7	166	-61.8	0	0	0	0	109.8	A212 V235	A212-S243 WeakPolarHBondContact CB-O 3.37Å; A212-S243 WeakPolarHBondContact O-CB 3.5Å; V235-S243 CarbonylContact O-C 3.58Å; V235-S243 WeakPolarHBondContact O-CA 3.49Å
244	V	95.5	Very high	94.6	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	161.7	178.1	-57	0	0	0	0	110.1	R234 V235 D237 T242 W321 F364 D366	R234-V244 WeakPolarHBondContact CA-O 3.39Å; V235-V244 HydrophobicContact CG2-CG2 3.66Å; V235-V244 PolarHBondContact N-O 3.13Å; V235-V244 PolarHBondContact O-N 3.13Å; D237-V244 HydrophobicContact CB-CG1 4.1Å; D237-V244 HydrophobicContact CB-CG2 3.99Å; T242-V244 HydrophobicContact CG2-CG1 3.82Å; V244-W321 HydrophobicContact CB-CH2 4.15Å; V244-W321 HydrophobicContact CB-CZ2 4.3Å; V244-W321 HydrophobicContact CG1-CH2 3.83Å; V244-W321 HydrophobicContact CG1-CZ2 3.85Å; V244-W321 HydrophobicContact CG2-CZ2 4.3Å; V244-F364 HydrophobicContact CG2-CB 4.29Å; V244-F364 HydrophobicContact CG2-CD1 3.89Å; V244-F364 HydrophobicContact CG2-CG 4.46Å; V244-D366 HydrophobicContact CB-CB 4.32Å; V244-D366 HydrophobicContact CG1-CB 3.96Å
245	R	96.3	Very high	94.7	Very high	30 Å²	30	61.8 Å²	61.8	11%	0.113	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.1	170.4	-61	-58.7	-179.2	175.6	-2.4	109.8	D210 A212 E214 W224 L232 S233 F364 V365	D210-R245 IonicContact OD1-CZ 3.52Å; D210-R245 IonicContact OD1-NE 3.64Å; D210-R245 PolarHBondContact OD1-NE 2.87Å; D210-R245 IonicContact OD1-NH2 3.6Å; D210-R245 PolarHBondContact OD1-NH2 3.18Å; D210-R245 WeakPolarHBondContact OD2-CG 3.43Å; D210-R245 IonicContact OD2-CZ 3.49Å; D210-R245 IonicContact OD2-NE 3.21Å; D210-R245 PolarHBondContact OD2-NE 2.63Å; D210-R245 IonicContact OD2-NH2 2.9Å; A212-R245 HydrophobicContact CB-CG 4.11Å; E214-R245 IonicContact OE2-NH2 2.94Å; W224-R245 HydrophobicContact CZ2-CG 4.44Å; L232-R245 HydrophobicContact CD1-CB 3.92Å; S233-R245 CarbonylContact O-C 3.58Å; S233-R245 WeakPolarHBondContact O-CA 3.38Å; R245-F364 CarbonylContact O-C 3.42Å; R245-F364 WeakPolarHBondContact O-CA 3.29Å; R245-V365 HydrophobicContact CB-CG1 3.76Å; R245-V365 HydrophobicContact CG-CG1 4.47Å; R245-V365 PolarHBondContact N-O 2.93Å; R245-V365 PolarHBondContact O-N 3.42Å
246	S	97.6	Very high	94.8	Very high	30 Å²	30	59.5 Å²	59.5	21%	0.21	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.5	166.3	-173.6	0	0	0	0	109.2	L232 S233 G363	L232-S246 CarbonylContact C-O 3.57Å; L232-S246 WeakPolarHBondContact CA-O 3.46Å; S233-S246 PolarHBondContact N-O 2.94Å; S233-S246 PolarHBondContact O-N 3.28Å; S246-G363 WeakPolarHBondContact CA-O 3.27Å
247	F	98.1	Very high	94.9	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.009	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.1	179.7	68.1	-91.5	0	0	0	111.6	S231 L232 L272 F274 L359 R362 G363 V365	S231-F247 WeakPolarHBondContact O-CA 3.44Å; L232-F247 HydrophobicContact CD1-CB 3.9Å; F247-L272 HydrophobicContact CE1-CD1 4.47Å; F247-F274 HydrophobicContact CE2-CD1 4.47Å; F247-F274 AromaticContact CE2-CE1 3.96Å; F247-F274 HydrophobicContact CE2-CE1 3.96Å; F247-F274 HydrophobicContact CZ-CD1 4.02Å; F247-F274 AromaticContact CZ-CE1 3.59Å; F247-F274 HydrophobicContact CZ-CE1 3.59Å; F247-F274 HydrophobicContact CZ-CZ 4.27Å; F247-L359 HydrophobicContact CB-CD1 4.43Å; F247-L359 HydrophobicContact CD1-CD1 3.78Å; F247-L359 HydrophobicContact CD2-CB 3.96Å; F247-L359 HydrophobicContact CD2-CD1 4.47Å; F247-L359 HydrophobicContact CE1-CD1 4.1Å; F247-L359 HydrophobicContact CE2-CB 4.09Å; F247-L359 HydrophobicContact CG-CB 4.27Å; F247-L359 HydrophobicContact CG-CD1 3.98Å; F247-L359 HydrophobicContact CZ-CB 4.5Å; F247-R362 WeakPolarHBondContact O-CA 3.47Å; F247-G363 WeakPolarHBondContact CD1-O 3.33Å; F247-G363 PolarHBondContact N-O 3.34Å; F247-G363 PolarHBondContact O-N 3.13Å; F247-G363 VanDerWaalsContact O-N 3.07Å; F247-V365 HydrophobicContact CD1-CG1 4.28Å; F247-V365 HydrophobicContact CE1-CB 4.38Å
248	S	98.2	Very high	95.1	Very high	38 Å²	38	53.7 Å²	53.7	27%	0.266	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	117.1	169.9	178.6	0	0	0	0	109.3	C230 S231 G361 R362	C230-S248 CarbonylContact C-O 3.58Å; C230-S248 WeakPolarHBondContact CA-O 3.49Å; S231-S248 PolarHBondContact N-O 2.84Å; S231-S248 PolarHBondContact O-N 2.75Å; S231-S248 WeakPolarHBondContact OG-CB 3.43Å; S248-G361 CarbonylContact C-O 3.54Å; S248-G361 WeakPolarHBondContact CA-O 3.3Å; S248-R362 WeakPolarHBondContact OG-CG 3.36Å
249	A	98.1	Very high	95.2	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.017	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	122.3	175.4	0	0	0	0	0	110.5	C230 V256 G361	C230-A249 HydrophobicContact CB-CB 4.28Å; A249-V256 HydrophobicContact CB-CG2 4.24Å; A249-G361 PolarHBondContact N-O 3.15Å; A249-G361 WeakPolarHBondContact O-CA 3.44Å; A249-G361 PolarHBondContact O-N 3.44Å
250	P	95.8	Very high	95.3	Very high	61 Å²	61	44.2 Å²	44.2	40%	0.396	25%	0.252	S	S	.	.			trans	-60.4	147.9	173.3	-21.7	33	0	0	0	112	S252 S253	P250-S252 PolarHBondContact O-N 3.15Å; P250-S252 VanDerWaalsContact O-N 3.16Å; P250-S253 WeakPolarHBondContact O-CB 3.34Å; P250-S253 PolarHBondContact O-N 3.29Å; P250-S253 PolarHBondContact O-OG 3.29Å
251	D	90.4	Very high	95.5	Very high	117 Å²	117	41.9 Å²	41.9	63%	0.626	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.3	178.5	-66.1	-21.5	0	0	0	113.2	S253	D251-S253 VanDerWaalsContact C-N 3.29Å
252	S	92.1	Very high	95.7	Very high	121 Å²	121	37.8 Å²	37.8	85%	0.846	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-6	175	56.8	0	0	0	0	114.4	P250	P250-S252 PolarHBondContact O-N 3.15Å; P250-S252 VanDerWaalsContact O-N 3.16Å
253	S	94.9	Very high	95.9	Very high	29 Å²	29	40.2 Å²	40.2	20%	0.203	24%	0.243	C	C	.	.	S	Bend	trans	-91.9	170.4	179.3	75.5	0	0	0	0	112.1	C230 P250 D251 G255 H360	C230-S253 PolarHBondContact SG-OG 2.56Å; P250-S253 WeakPolarHBondContact O-CB 3.34Å; P250-S253 PolarHBondContact O-N 3.29Å; P250-S253 PolarHBondContact O-OG 3.29Å; D251-S253 VanDerWaalsContact C-N 3.29Å; S253-G255 PolarHBondContact O-N 3.23Å; S253-G255 PolarHBondContact OG-N 3.3Å; S253-H360 PolarHBondContact O-NE2 3.04Å
254	E	94.6	Very high	96	Very high	162 Å²	162	47 Å²	47	76%	0.757	27%	0.269	S	S	*	.			trans	-67.1	-14	172.8	-65.5	-176.7	172.7	0	0	113.5	P227 V358	P227-E254 HydrophobicContact CG-CB 4.05Å; E254-V358 WeakPolarHBondContact O-CG1 3.1Å
255	G	97.3	Very high	96.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.01	27%	0.272	C	S	.	.			trans	83.2	160.8	-176.7	0	0	0	0	0	113.5	P227 S253 L359 H360	P227-G255 VanDerWaalsContact CD-O 3.26Å; P227-G255 WeakPolarHBondContact CD-O 3.41Å; P227-G255 WeakPolarHBondContact CG-O 3.41Å; S253-G255 PolarHBondContact O-N 3.23Å; S253-G255 PolarHBondContact OG-N 3.3Å; G255-L359 WeakPolarHBondContact CA-O 3.14Å; G255-H360 PolarHBondContact N-NE2 3.27Å
256	V	97.8	Very high	96.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	129	171.4	179.8	0	0	0	0	108.2	W224 V226 C230 L232 A249 V358 L359	W224-V256 HydrophobicContact CE3-CG1 3.51Å; W224-V256 HydrophobicContact CZ3-CG1 3.76Å; V226-V256 HydrophobicContact CG1-CG2 4.38Å; V226-V256 HydrophobicContact CG2-CG1 4.19Å; C230-V256 HydrophobicContact CB-CG2 3.75Å; L232-V256 HydrophobicContact CB-CG1 4.11Å; L232-V256 HydrophobicContact CD1-CG1 4.14Å; L232-V256 HydrophobicContact CD2-CG1 4.02Å; L232-V256 HydrophobicContact CG-CG1 4.32Å; A249-V256 HydrophobicContact CB-CG2 4.24Å; V256-V358 CarbonylContact O-C 3.56Å; V256-V358 WeakPolarHBondContact O-CA 3.29Å; V256-L359 PolarHBondContact N-O 2.65Å; V256-L359 PolarHBondContact O-N 3.27Å
257	S	97.8	Very high	96.3	Very high	16 Å²	16	47.4 Å²	47.4	11%	0.112	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143	-173	61.3	0	0	0	0	114.2	W224 S225 L357	W224-S257 CarbonylContact C-O 3.57Å; W224-S257 VanDerWaalsContact CA-O 3.28Å; W224-S257 WeakPolarHBondContact CA-O 3.36Å; S225-S257 PolarHBondContact N-O 2.77Å; S225-S257 PolarHBondContact O-N 2.95Å; S257-L357 CarbonylContact C-O 3.51Å; S257-L357 WeakPolarHBondContact CA-O 3.19Å; S257-L357 WeakPolarHBondContact CB-O 3.21Å
258	L	97.3	Very high	96.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.4	176.8	-180	61.1	0	0	0	109.5	D210 A222 W224 L260 R356 L357 I368	D210-L258 HydrophobicContact CB-CD2 4.42Å; A222-L258 HydrophobicContact CB-CD1 3.68Å; A222-L258 HydrophobicContact CB-CG 4.37Å; W224-L258 HydrophobicContact CD2-CB 3.92Å; W224-L258 HydrophobicContact CD2-CD1 3.89Å; W224-L258 HydrophobicContact CD2-CG 4.39Å; W224-L258 HydrophobicContact CE3-CB 3.73Å; W224-L258 HydrophobicContact CG-CD1 3.95Å; W224-L258 HydrophobicContact CH2-CB 3.92Å; W224-L258 HydrophobicContact CH2-CD2 4.31Å; W224-L258 HydrophobicContact CZ2-CB 4.08Å; W224-L258 HydrophobicContact CZ2-CD1 4.42Å; W224-L258 HydrophobicContact CZ2-CD2 3.86Å; W224-L258 HydrophobicContact CZ2-CG 4.36Å; W224-L258 HydrophobicContact CZ3-CB 3.75Å; L258-L260 HydrophobicContact CD2-CD2 4.05Å; L258-L260 HydrophobicContact CG-CD2 4.13Å; L258-R356 CarbonylContact O-C 3.54Å; L258-R356 WeakPolarHBondContact O-CA 3.39Å; L258-R356 WeakPolarHBondContact O-CB 3.27Å; L258-L357 HydrophobicContact CB-CB 4.33Å; L258-L357 PolarHBondContact N-O 2.94Å; L258-L357 PolarHBondContact O-N 3.04Å; L258-I368 HydrophobicContact CD2-CB 4.44Å; L258-I368 HydrophobicContact CD2-CD1 3.63Å; L258-I368 HydrophobicContact CD2-CG2 4.18Å
259	Q	96.8	Very high	96.3	Very high	77 Å²	77	46.3 Å²	46.3	36%	0.36	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	129.6	175.3	-60.3	-60.1	-28.5	0	0	110.4	A222 S223	A222-Q259 WeakPolarHBondContact CB-O 3.21Å; S223-Q259 PolarHBondContact O-N 2.88Å
260	L	95.1	Very high	96.3	Very high	16 Å²	16	46.3 Å²	46.3	8%	0.084	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	-58.6	-176	-59.9	171.2	0	0	0	110.7	Y209 L258 N262 V354 V355 L357 I368 I370	Y209-L260 HydrophobicContact CD1-CB 4.43Å; Y209-L260 HydrophobicContact CD1-CD2 3.44Å; Y209-L260 VanDerWaalsContact CD1-CD2 3.44Å; Y209-L260 HydrophobicContact CD2-CD2 3.71Å; Y209-L260 HydrophobicContact CE1-CB 4.04Å; Y209-L260 HydrophobicContact CE1-CD2 3.85Å; Y209-L260 VanDerWaalsContact CE1-O 3.27Å; Y209-L260 WeakPolarHBondContact CE1-O 3.23Å; Y209-L260 HydrophobicContact CE2-CD2 4.05Å; Y209-L260 HydrophobicContact CG-CD2 3.39Å; L258-L260 HydrophobicContact CD2-CD2 4.05Å; L258-L260 HydrophobicContact CG-CD2 4.13Å; L260-N262 VanDerWaalsContact C-N 3.27Å; L260-N262 PolarHBondContact O-N 3.06Å; L260-V354 HydrophobicContact CB-CG1 4.43Å; L260-V354 HydrophobicContact CD1-CG1 3.7Å; L260-V355 PolarHBondContact N-O 2.98Å; L260-L357 HydrophobicContact CD1-CB 4.05Å; L260-I368 HydrophobicContact CD2-CG2 4.45Å; L260-I370 HydrophobicContact CB-CD1 4.3Å; L260-I370 HydrophobicContact CD1-CD1 4.17Å
261	G	94.2	Very high	96.4	Very high	35 Å²	35	43.9 Å²	43.9	36%	0.361	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70.6	10.7	176	0	0	0	0	0	116.2	S263 V354 V355	G261-S263 PolarHBondContact O-N 3.13Å; G261-V354 CarbonylContact C-O 3.58Å; G261-V354 VanDerWaalsContact CA-O 3.3Å; G261-V354 WeakPolarHBondContact CA-O 3.28Å; G261-V354 PolarHBondContact N-O 2.9Å; G261-V355 PolarHBondContact N-O 2.76Å
262	N	95.6	Very high	96.8	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.032	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	130.6	-178.8	-160.7	-57.3	0	0	0	111.6	E207 Y209 L260 K264 D265 R353 V354 I370	E207-N262 PolarHBondContact OE2-ND2 3.37Å; Y209-N262 WeakPolarHBondContact OH-CB 3.38Å; Y209-N262 PolarHBondContact OH-ND2 3.17Å; L260-N262 VanDerWaalsContact C-N 3.27Å; L260-N262 PolarHBondContact O-N 3.06Å; N262-K264 PolarHBondContact OD1-N 2.73Å; N262-D265 PolarHBondContact OD1-N 3.45Å; N262-D265 PolarHBondContact OD1-O 3.05Å; N262-R353 CarbonylContact O-C 3.58Å; N262-R353 VanDerWaalsContact O-CA 3.22Å; N262-R353 WeakPolarHBondContact O-CA 3.24Å; N262-R353 WeakPolarHBondContact O-CG 3.35Å; N262-V354 HydrophobicContact CB-CB 4.35Å; N262-V354 PolarHBondContact N-O 2.82Å; N262-V354 PolarHBondContact O-N 2.92Å; N262-I370 HydrophobicContact CB-CD1 3.67Å; N262-I370 HydrophobicContact CB-CG2 4.4Å
263	S	96.6	Very high	97.1	Very high	73 Å²	73	35.3 Å²	35.3	51%	0.51	19%	0.187	S	C	.	.	S	Bend	trans	-119.3	4.8	179.7	51.4	0	0	0	0	114.4	G261 R352	G261-S263 PolarHBondContact O-N 3.13Å; S263-R352 WeakPolarHBondContact CA-O 3.48Å; S263-R352 WeakPolarHBondContact CB-O 3.42Å
264	K	95.8	Very high	97.2	Very high	170 Å²	170	34.3 Å²	34.3	74%	0.739	18%	0.18	S	C	*	.	S	Bend	trans	-115	-42.2	-173.3	-64.9	-179.7	-179.1	174.6	0	112.2	N262	N262-K264 PolarHBondContact OD1-N 2.73Å
265	D	98	Very high	97.4	Very high	11 Å²	11	30 Å²	30	6%	0.059	17%	0.172	C	C	.	.			trans	-118.5	146.9	-168.5	-62.6	-51.8	0	0	0	110.4	H205 N262 I370 T372	H205-D265 IonicContact CE1-OD2 3.94Å; H205-D265 IonicContact CG-OD2 3.64Å; H205-D265 IonicContact ND1-OD2 2.8Å; H205-D265 PolarHBondContact ND1-OD2 2.98Å; N262-D265 PolarHBondContact OD1-N 3.45Å; N262-D265 PolarHBondContact OD1-O 3.05Å; D265-I370 HydrophobicContact CB-CG2 3.63Å; D265-I370 VanDerWaalsContact O-CG2 3.27Å; D265-I370 WeakPolarHBondContact O-CG2 3.47Å; D265-T372 WeakPolarHBondContact OD1-CA 3.34Å; D265-T372 VanDerWaalsContact OD1-CB 3.27Å; D265-T372 WeakPolarHBondContact OD1-CB 3.14Å; D265-T372 PolarHBondContact OD1-N 2.88Å; D265-T372 PolarHBondContact OD1-OG1 3.22Å
266	F	98.4	Very high	97.3	Very high	37 Å²	37	31.7 Å²	31.7	16%	0.162	18%	0.183	C	C	.	.			trans	-138.1	13.5	-168.4	-59.4	-72.8	0	0	0	114.2	L328 P351 V354	F266-L328 HydrophobicContact CB-CB 4.38Å; F266-L328 VanDerWaalsContact O-CB 3.27Å; F266-L328 WeakPolarHBondContact O-CB 3.27Å; F266-L328 VanDerWaalsContact O-CG 3.23Å; F266-L328 WeakPolarHBondContact O-CG 3.06Å; F266-L328 PolarHBondContact O-N 3.39Å; F266-P351 HydrophobicContact CB-CG 4.48Å; F266-P351 HydrophobicContact CD1-CB 3.73Å; F266-P351 HydrophobicContact CD1-CG 3.62Å; F266-P351 HydrophobicContact CD2-CG 4.24Å; F266-P351 HydrophobicContact CE1-CB 3.66Å; F266-P351 HydrophobicContact CE1-CG 3.84Å; F266-P351 HydrophobicContact CE2-CG 4.42Å; F266-P351 HydrophobicContact CG-CB 4.45Å; F266-P351 HydrophobicContact CG-CG 3.84Å; F266-P351 HydrophobicContact CZ-CB 4.34Å; F266-P351 HydrophobicContact CZ-CG 4.24Å; F266-P351 WeakPolarHBondContact CZ-O 3.26Å; F266-V354 HydrophobicContact CD1-CG2 3.76Å; F266-V354 HydrophobicContact CE1-CG2 4.15Å
267	I	98.8	Very high	97.3	Very high	21 Å²	21	37.5 Å²	37.5	11%	0.108	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	103.4	171.6	-48.8	-57.2	0	0	0	109.2	T325 R326 D327 I370 S371 T372 A374	I267-T325 HydrophobicContact CG2-CG2 3.79Å; I267-R326 CarbonylContact C-O 3.6Å; I267-R326 WeakPolarHBondContact CA-O 3.33Å; I267-D327 HydrophobicContact CD1-CB 3.54Å; I267-I370 CarbonylContact O-C 3.46Å; I267-I370 VanDerWaalsContact O-CA 3.31Å; I267-I370 WeakPolarHBondContact O-CA 3.34Å; I267-S371 VanDerWaalsContact CB-O 3.24Å; I267-S371 WeakPolarHBondContact CB-O 3.37Å; I267-S371 WeakPolarHBondContact CG1-O 3.5Å; I267-S371 PolarHBondContact N-O 3.38Å; I267-S371 PolarHBondContact O-N 3.3Å; I267-S371 PolarHBondContact O-OG 3.14Å; I267-T372 WeakPolarHBondContact CG1-O 3.41Å; I267-A374 HydrophobicContact CG2-CB 3.64Å
268	L	98.7	Very high	97.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	133.5	175.8	174.8	68.2	0	0	0	109.9	L270 V282 T325 R326 L328 L357 I368 I370	L268-L270 HydrophobicContact CD1-CD2 4.22Å; L268-L270 HydrophobicContact CD2-CD2 3.87Å; L268-L270 HydrophobicContact CG-CD2 3.78Å; L268-V282 HydrophobicContact CD2-CG2 3.39Å; L268-T325 CarbonylContact O-C 3.58Å; L268-T325 VanDerWaalsContact O-CA 3.3Å; L268-T325 WeakPolarHBondContact O-CA 3.35Å; L268-R326 PolarHBondContact N-O 3.05Å; L268-R326 PolarHBondContact O-N 2.86Å; L268-L328 HydrophobicContact CB-CD1 4.1Å; L268-L328 HydrophobicContact CB-CD2 4.26Å; L268-L328 HydrophobicContact CB-CG 4.25Å; L268-L357 HydrophobicContact CD2-CD1 3.98Å; L268-I368 HydrophobicContact CD1-CG2 4.45Å; L268-I370 HydrophobicContact CD1-CG1 4.35Å
269	S	98.7	Very high	97.3	Very high	18 Å²	18	37.8 Å²	37.8	13%	0.126	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.2	167.3	-161.4	0	0	0	0	111.3	T323 L324 T325 T369	S269-T323 VanDerWaalsContact OG-CG2 3.31Å; S269-T323 WeakPolarHBondContact OG-CG2 3.46Å; S269-L324 VanDerWaalsContact CA-O 3.27Å; S269-L324 WeakPolarHBondContact CA-O 3.42Å; S269-T325 PolarHBondContact OG-OG1 2.85Å; S269-T369 WeakPolarHBondContact CB-OG1 3.44Å; S269-T369 PolarHBondContact N-O 2.91Å; S269-T369 PolarHBondContact O-N 3.06Å; S269-T369 PolarHBondContact O-OG1 3.48Å
270	L	98.2	Very high	97.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	147.2	174.3	60.1	155.5	0	0	0	110.8	L268 L272 V280 T323 L324 L357 V365 I368	L268-L270 HydrophobicContact CD1-CD2 4.22Å; L268-L270 HydrophobicContact CD2-CD2 3.87Å; L268-L270 HydrophobicContact CG-CD2 3.78Å; L270-L272 HydrophobicContact CD1-CD1 4.27Å; L270-V280 HydrophobicContact CD1-CG1 4.05Å; L270-V280 HydrophobicContact CD1-CG2 4.26Å; L270-T323 CarbonylContact O-C 3.49Å; L270-T323 WeakPolarHBondContact O-CA 3.43Å; L270-L324 HydrophobicContact CD2-CB 4.36Å; L270-L324 HydrophobicContact CD2-CD2 4.28Å; L270-L324 HydrophobicContact CG-CB 4.45Å; L270-L324 PolarHBondContact N-O 3.21Å; L270-L324 PolarHBondContact O-N 2.92Å; L270-L357 HydrophobicContact CD1-CD2 4.49Å; L270-V365 HydrophobicContact CB-CG2 4.25Å; L270-V365 HydrophobicContact CD1-CG2 3.73Å; L270-I368 HydrophobicContact CB-CG1 4.13Å
271	D	98.2	Very high	97.6	Very high	11 Å²	11	33.7 Å²	33.7	6%	0.059	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	133.3	167.7	-71.1	-37.6	0	0	0	110	R240 W321 T323 V365 D366 N367	R240-D271 IonicContact CZ-OD2 3.99Å; R240-D271 VanDerWaalsContact NH1-CG 3.32Å; R240-D271 IonicContact NH1-OD1 2.73Å; R240-D271 IonicContact NH1-OD2 2.86Å; R240-D271 PolarHBondContact NH1-OD2 3.31Å; R240-D271 IonicContact NH2-OD2 3.76Å; R240-D271 PolarHBondContact NH2-OD2 3.35Å; D271-W321 HydrophobicContact CB-CE3 4.04Å; D271-W321 HydrophobicContact CB-CZ3 3.78Å; D271-T323 WeakPolarHBondContact OD1-CB 3.32Å; D271-T323 PolarHBondContact OD1-OG1 3.07Å; D271-V365 VanDerWaalsContact O-CA 3.3Å; D271-V365 WeakPolarHBondContact O-CA 3.38Å; D271-D366 HydrophobicContact CB-CB 4.17Å; D271-D366 PolarHBondContact N-O 3.45Å; D271-D366 PolarHBondContact O-N 2.87Å; D271-N367 PolarHBondContact OD2-ND2 2.9Å
272	L	97.6	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	139.3	-170.8	-166.4	65.5	0	0	0	111.9	F247 L270 F274 V280 I315 S322 V365	F247-L272 HydrophobicContact CE1-CD1 4.47Å; L270-L272 HydrophobicContact CD1-CD1 4.27Å; L272-F274 HydrophobicContact CD1-CD2 4.43Å; L272-F274 HydrophobicContact CD1-CE2 4.03Å; L272-F274 HydrophobicContact CD1-CZ 4.29Å; L272-F274 HydrophobicContact CD2-CD2 3.92Å; L272-F274 HydrophobicContact CD2-CE2 3.37Å; L272-F274 HydrophobicContact CD2-CZ 4.21Å; L272-F274 HydrophobicContact CG-CD2 3.97Å; L272-F274 HydrophobicContact CG-CE2 3.79Å; L272-V280 HydrophobicContact CD1-CG2 3.95Å; L272-V280 HydrophobicContact CD2-CG2 3.65Å; L272-V280 HydrophobicContact CG-CG2 4.48Å; L272-I315 HydrophobicContact CD2-CD1 3.98Å; L272-S322 PolarHBondContact N-O 3.23Å; L272-S322 PolarHBondContact O-N 3.14Å; L272-S322 VanDerWaalsContact O-N 3.13Å; L272-V365 HydrophobicContact CD1-CB 4.45Å
273	K	98.2	Very high	98	Very high	57 Å²	57	32 Å²	32	25%	0.248	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	115.6	168.7	-179.8	-178.3	176.1	-175.6	0	109.9	R318 S319 W321 G363 F364	K273-R318 CarbonylContact C-O 3.54Å; K273-R318 WeakPolarHBondContact CA-O 3.4Å; K273-S319 WeakPolarHBondContact CE-O 3.36Å; K273-W321 HydrophobicContact CB-CD2 3.73Å; K273-W321 HydrophobicContact CB-CE3 3.96Å; K273-W321 HydrophobicContact CB-CG 4.13Å; K273-W321 HydrophobicContact CB-CZ2 4.39Å; K273-W321 HydrophobicContact CB-CZ3 4.4Å; K273-W321 HydrophobicContact CD-CD2 4.26Å; K273-W321 HydrophobicContact CD-CG 4.08Å; K273-G363 CarbonylContact O-C 3.54Å; K273-G363 VanDerWaalsContact O-CA 3.22Å; K273-G363 WeakPolarHBondContact O-CA 3.19Å; K273-F364 HydrophobicContact CB-CD2 4.49Å; K273-F364 HydrophobicContact CD-CD2 4.35Å; K273-F364 HydrophobicContact CG-CD2 4.49Å; K273-F364 PolarHBondContact N-O 3.05Å; K273-F364 PolarHBondContact O-N 2.73Å
274	F	98.3	Very high	98.1	Very high	9 Å²	9	28.5 Å²	28.5	4%	0.039	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	141.5	176.3	-81.9	-76.9	0	0	0	112.2	F247 L272 S276 V280 T299 I315 R318 H360	F247-F274 HydrophobicContact CE2-CD1 4.47Å; F247-F274 AromaticContact CE2-CE1 3.96Å; F247-F274 HydrophobicContact CE2-CE1 3.96Å; F247-F274 HydrophobicContact CZ-CD1 4.02Å; F247-F274 AromaticContact CZ-CE1 3.59Å; F247-F274 HydrophobicContact CZ-CE1 3.59Å; F247-F274 HydrophobicContact CZ-CZ 4.27Å; L272-F274 HydrophobicContact CD1-CD2 4.43Å; L272-F274 HydrophobicContact CD1-CE2 4.03Å; L272-F274 HydrophobicContact CD1-CZ 4.29Å; L272-F274 HydrophobicContact CD2-CD2 3.92Å; L272-F274 HydrophobicContact CD2-CE2 3.37Å; L272-F274 HydrophobicContact CD2-CZ 4.21Å; L272-F274 HydrophobicContact CG-CD2 3.97Å; L272-F274 HydrophobicContact CG-CE2 3.79Å; F274-S276 WeakPolarHBondContact CB-O 3.31Å; F274-V280 HydrophobicContact CE2-CG2 4.29Å; F274-V280 HydrophobicContact CZ-CG2 4Å; F274-T299 HydrophobicContact CB-CG2 4.24Å; F274-T299 HydrophobicContact CD1-CG2 4.12Å; F274-T299 HydrophobicContact CD2-CG2 3.28Å; F274-T299 HydrophobicContact CE1-CG2 4.28Å; F274-T299 HydrophobicContact CE2-CG2 3.4Å; F274-T299 VanDerWaalsContact CE2-CG2 3.4Å; F274-T299 HydrophobicContact CG-CG2 3.64Å; F274-T299 HydrophobicContact CZ-CG2 3.95Å; F274-I315 HydrophobicContact CE2-CD1 4.48Å; F274-R318 HydrophobicContact CD2-CB 4.02Å; F274-R318 PolarHBondContact N-O 3.26Å; F274-H360 WeakPolarHBondContact CE1-O 3.4Å
275	A	97.5	Very high	98.2	Very high	72 Å²	72	23.7 Å²	23.7	60%	0.595	14%	0.138	S	C	*	.	S	Bend	trans	-104.3	-14	171.2	0	0	0	0	0	112.5	R362	A275-R362 HydrophobicContact CB-CB 4.47Å; A275-R362 PolarHBondContact N-O 3Å
276	S	96.7	Very high	98.2	Very high	35 Å²	35	23.8 Å²	23.8	25%	0.245	14%	0.138	C	C	.	.	S	Bend	trans	-142.7	174.5	170.7	68.4	0	0	0	0	109.9	F274 R362	F274-S276 WeakPolarHBondContact CB-O 3.31Å; S276-R362 PolarHBondContact N-O 3.39Å; S276-R362 PolarHBondContact OG-N 2.77Å
277	N	97	Very high	98.1	Very high	122 Å²	122	24.8 Å²	24.8	65%	0.652	15%	0.148	S	C	*	.	S	Bend	trans	-56.2	147.5	164.3	-67.7	-15.4	0	0	0	110.2	T299 G361	N277-T299 VanDerWaalsContact CA-OG1 3.24Å; N277-T299 WeakPolarHBondContact CA-OG1 3.38Å; N277-G361 WeakPolarHBondContact O-CA 3.29Å
278	G	97.6	Very high	98	Very high	9 Å²	9	27.6 Å²	27.6	9%	0.093	16%	0.16	C	C	.	.			trans	-178.8	-167.8	-176.1	0	0	0	0	0	112.2	T299 H360	G278-T299 PolarHBondContact N-OG1 3.08Å; G278-T299 PolarHBondContact O-N 2.98Å; G278-T299 VanDerWaalsContact O-N 3.08Å; G278-T299 PolarHBondContact O-OG1 3.09Å; G278-H360 VanDerWaalsContact CA-O 3.23Å; G278-H360 WeakPolarHBondContact CA-O 3.47Å
279	S	98.4	Very high	97.7	Very high	14 Å²	14	37.1 Å²	37.1	10%	0.098	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	156.5	176.8	78.9	0	0	0	0	112.6	S281 Y297 H360	S279-S281 PolarHBondContact OG-OG 3.21Å; S279-Y297 CarbonylContact C-O 3.55Å; S279-Y297 VanDerWaalsContact CA-O 3.27Å; S279-Y297 WeakPolarHBondContact CA-O 3.34Å; S279-H360 PolarHBondContact N-O 3.13Å; S279-H360 PolarHBondContact O-N 2.95Å
280	V	98.6	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.6	163.1	-178.7	0	0	0	0	106.7	L270 L272 F274 Y297 L357 V358 L359	L270-V280 HydrophobicContact CD1-CG1 4.05Å; L270-V280 HydrophobicContact CD1-CG2 4.26Å; L272-V280 HydrophobicContact CD1-CG2 3.95Å; L272-V280 HydrophobicContact CD2-CG2 3.65Å; L272-V280 HydrophobicContact CG-CG2 4.48Å; F274-V280 HydrophobicContact CE2-CG2 4.29Å; F274-V280 HydrophobicContact CZ-CG2 4Å; V280-Y297 PolarHBondContact N-O 3.36Å; V280-Y297 WeakPolarHBondContact O-CA 3.41Å; V280-Y297 WeakPolarHBondContact O-CB 3.5Å; V280-Y297 VanDerWaalsContact O-CD2 3.31Å; V280-Y297 WeakPolarHBondContact O-CD2 3.36Å; V280-Y297 PolarHBondContact O-N 3.14Å; V280-L357 HydrophobicContact CG1-CD1 3.39Å; V280-L357 HydrophobicContact CG1-CD2 4.39Å; V280-L357 HydrophobicContact CG1-CG 4.03Å; V280-V358 CarbonylContact C-O 3.46Å; V280-V358 WeakPolarHBondContact CA-O 3.48Å; V280-L359 HydrophobicContact CB-CD2 4.19Å; V280-L359 HydrophobicContact CG1-CD2 3.98Å; V280-L359 HydrophobicContact CG2-CD2 3.71Å
281	S	98.8	Very high	97.4	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.6	-178.2	-57.1	0	0	0	0	111.1	S279 I295 H296 L357 V358	S279-S281 PolarHBondContact OG-OG 3.21Å; S281-I295 CarbonylContact C-O 3.32Å; S281-I295 VanDerWaalsContact CA-O 3.28Å; S281-I295 WeakPolarHBondContact CA-O 3.32Å; S281-H296 PolarHBondContact OG-ND1 3.32Å; S281-L357 CarbonylContact O-C 3.58Å; S281-L357 WeakPolarHBondContact O-CA 3.5Å; S281-V358 PolarHBondContact N-O 3.46Å; S281-V358 PolarHBondContact O-N 2.86Å
282	V	98.8	Very high	97.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.5	-179.2	-174.2	0	0	0	0	109.1	L268 L284 T294 I295 Y297 L328 V354 L357	L268-V282 HydrophobicContact CD2-CG2 3.39Å; V282-L284 HydrophobicContact CG1-CD2 3.86Å; V282-L284 HydrophobicContact CG1-CG 4.29Å; V282-T294 WeakPolarHBondContact O-CA 3.38Å; V282-I295 PolarHBondContact N-O 3.18Å; V282-I295 PolarHBondContact O-N 3.22Å; V282-Y297 HydrophobicContact CG2-CD2 4.4Å; V282-Y297 HydrophobicContact CG2-CE2 3.79Å; V282-L328 HydrophobicContact CB-CD2 4.32Å; V282-L328 HydrophobicContact CG1-CD1 4.07Å; V282-L328 HydrophobicContact CG1-CD2 4.12Å; V282-L328 HydrophobicContact CG2-CD2 4.24Å; V282-V354 HydrophobicContact CG1-CG1 3.72Å; V282-L357 HydrophobicContact CG2-CD1 3.79Å
283	V	98.7	Very high	97.4	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.036	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.1	179.1	-178.5	0	0	0	0	110.1	P292 T294 V355 R356	V283-P292 HydrophobicContact CG1-CB 3.48Å; V283-P292 VanDerWaalsContact CG1-CB 3.48Å; V283-P292 HydrophobicContact CG1-CG 4.12Å; V283-T294 HydrophobicContact CG2-CG2 4.2Å; V283-V355 HydrophobicContact CB-CB 4.31Å; V283-V355 HydrophobicContact CG1-CB 4.22Å; V283-V355 HydrophobicContact CG1-CG2 4.41Å; V283-V355 WeakPolarHBondContact O-CB 3.2Å; V283-V355 PolarHBondContact O-N 2.62Å; V283-R356 HydrophobicContact CB-CG 4.03Å; V283-R356 HydrophobicContact CG2-CG 4.09Å; V283-R356 PolarHBondContact N-O 3.21Å
284	L	98.4	Very high	97.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.2	-172.2	-61.4	179.7	0	0	0	111.4	V282 T286 P292 F293 I295 L328 R353 V354	V282-L284 HydrophobicContact CG1-CD2 3.86Å; V282-L284 HydrophobicContact CG1-CG 4.29Å; L284-T286 HydrophobicContact CB-CG2 4.42Å; L284-P292 CarbonylContact O-C 3.4Å; L284-P292 VanDerWaalsContact O-CA 3.25Å; L284-P292 WeakPolarHBondContact O-CA 3.16Å; L284-P292 WeakPolarHBondContact O-CB 3.31Å; L284-F293 PolarHBondContact N-O 3.37Å; L284-F293 PolarHBondContact O-N 2.78Å; L284-I295 HydrophobicContact CD1-CD1 3.55Å; L284-I295 HydrophobicContact CD1-CG1 3.95Å; L284-L328 HydrophobicContact CD1-CB 4.19Å; L284-L328 HydrophobicContact CD2-CD1 4.14Å; L284-R353 WeakPolarHBondContact CA-O 3.42Å; L284-V354 HydrophobicContact CD2-CB 4.23Å; L284-V354 HydrophobicContact CD2-CG1 4.19Å; L284-V354 HydrophobicContact CD2-CG2 3.92Å
285	E	98.4	Very high	97.5	Very high	69 Å²	69	43.4 Å²	43.4	32%	0.322	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	138.9	159.8	-74	170.3	-179.4	0	0	109.1	P292 R352 R353 V355	E285-P292 HydrophobicContact CG-CG 4.2Å; E285-R352 PolarHBondContact O-N 2.65Å; E285-R353 HydrophobicContact CB-CB 4.14Å; E285-R353 VanDerWaalsContact CD-NH2 3.32Å; E285-R353 PolarHBondContact N-O 2.96Å; E285-R353 PolarHBondContact O-N 3.14Å; E285-R353 IonicContact OE1-CZ 3.49Å; E285-R353 IonicContact OE1-NE 2.78Å; E285-R353 IonicContact OE1-NH2 3.37Å; E285-R353 PolarHBondContact OE1-NH2 2.63Å; E285-R353 IonicContact OE2-CZ 2.78Å; E285-R353 IonicContact OE2-NE 2.68Å; E285-R353 PolarHBondContact OE2-NE 3.29Å; E285-R353 IonicContact OE2-NH2 3.56Å; E285-R353 PolarHBondContact OE2-NH2 3.39Å; E285-V355 HydrophobicContact CB-CG2 4.46Å; E285-V355 HydrophobicContact CG-CG2 3.75Å
286	T	98.1	Very high	97.5	Very high	12 Å²	12	42 Å²	42	7%	0.074	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	176.4	-175.1	74.9	0	0	0	0	111.5	L284 E288 F293 L332 I349 M350 R352	L284-T286 HydrophobicContact CB-CG2 4.42Å; T286-E288 PolarHBondContact O-N 3.14Å; T286-E288 PolarHBondContact OG1-N 2.96Å; T286-F293 HydrophobicContact CG2-CB 4.2Å; T286-F293 HydrophobicContact CG2-CD2 3.62Å; T286-F293 HydrophobicContact CG2-CE2 4.39Å; T286-F293 HydrophobicContact CG2-CG 4.2Å; T286-L332 HydrophobicContact CG2-CD2 3.73Å; T286-I349 HydrophobicContact CG2-CD1 4.08Å; T286-I349 HydrophobicContact CG2-CG1 4.34Å; T286-M350 CarbonylContact C-O 3.6Å; T286-M350 WeakPolarHBondContact CA-O 3.4Å; T286-M350 WeakPolarHBondContact CB-O 3.32Å; T286-R352 WeakPolarHBondContact O-CD 3.37Å
287	T	97.4	Very high	97.6	Very high	58 Å²	58	40.4 Å²	40.4	36%	0.356	23%	0.229	S	C	.	.	S	Bend	trans	-69.3	-14.9	171.5	49.4	0	0	0	0	113.8	M350 R352	T287-M350 HydrophobicContact CG2-CB 3.82Å; T287-M350 PolarHBondContact N-O 3.31Å; T287-M350 PolarHBondContact OG1-N 2.8Å; T287-M350 VanDerWaalsContact OG1-N 3.09Å; T287-R352 HydrophobicContact CG2-CG 4.14Å
288	E	94.9	Very high	97.7	Very high	81 Å²	81	35.9 Å²	35.9	38%	0.379	21%	0.206	S	C	.	.	S	Bend	trans	-79.6	138	176.4	-73.2	-170.6	-179.7	0	0	111.2	T286 F293 I349	T286-E288 PolarHBondContact O-N 3.14Å; T286-E288 PolarHBondContact OG1-N 2.96Å; E288-F293 HydrophobicContact CB-CE2 4.41Å; E288-F293 WeakPolarHBondContact OE2-CZ 3.49Å; E288-I349 HydrophobicContact CG-CD1 4Å; E288-I349 HydrophobicContact CG-CG1 4.06Å
289	K	93.3	Very high	97.7	Very high	200 Å²	200	36.1 Å²	36.1	87%	0.87	21%	0.205	S	C	*	.	S	Bend	trans	-65.4	143.9	176.2	-65	-177.5	178.2	-179.2	0	110.2	R309	K289-R309 PolarHBondContact O-NH1 3.22Å; K289-R309 PolarHBondContact O-NH2 2.87Å
290	G	93.9	Very high	97.7	Very high	58 Å²	58	38.6 Å²	38.6	60%	0.598	22%	0.218	S	C	*	.	S	Bend	trans	114.6	-165.3	176.4	0	0	0	0	0	113.5
291	P	96.4	Very high	97.7	Very high	87 Å²	87	44.3 Å²	44.3	57%	0.565	25%	0.252	S	S	*	.	S	Bend	trans	-60.6	156.8	-178.4	-24	34.1	0	0	0	113.6	R309	P291-R309 WeakPolarHBondContact O-CD 3.27Å; P291-R309 PolarHBondContact O-NH1 3.06Å
292	P	97.8	Very high	97.6	Very high	54 Å²	54	48.2 Å²	48.2	35%	0.351	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-53.9	152.2	171.3	-26.2	36	0	0	0	113	V283 L284 E285	V283-P292 HydrophobicContact CG1-CB 3.48Å; V283-P292 VanDerWaalsContact CG1-CB 3.48Å; V283-P292 HydrophobicContact CG1-CG 4.12Å; L284-P292 CarbonylContact O-C 3.4Å; L284-P292 VanDerWaalsContact O-CA 3.25Å; L284-P292 WeakPolarHBondContact O-CA 3.16Å; L284-P292 WeakPolarHBondContact O-CB 3.31Å; E285-P292 HydrophobicContact CG-CG 4.2Å
293	F	98.6	Very high	97.5	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	151.5	164.7	-79.6	-104.5	0	0	0	109.7	L284 T286 E288 F306 R309 L332 V336 I349	L284-F293 PolarHBondContact N-O 3.37Å; L284-F293 PolarHBondContact O-N 2.78Å; T286-F293 HydrophobicContact CG2-CB 4.2Å; T286-F293 HydrophobicContact CG2-CD2 3.62Å; T286-F293 HydrophobicContact CG2-CE2 4.39Å; T286-F293 HydrophobicContact CG2-CG 4.2Å; E288-F293 HydrophobicContact CB-CE2 4.41Å; E288-F293 WeakPolarHBondContact OE2-CZ 3.49Å; F293-F306 HydrophobicContact CD1-CE2 4.44Å; F293-F306 AromaticContact CE1-CE2 3.99Å; F293-F306 HydrophobicContact CE1-CE2 3.99Å; F293-F306 HydrophobicContact CE1-CZ 4.22Å; F293-R309 CarbonylContact C-O 3.55Å; F293-R309 VanDerWaalsContact CA-O 3.3Å; F293-R309 WeakPolarHBondContact CA-O 3.44Å; F293-R309 HydrophobicContact CD1-CB 3.94Å; F293-R309 HydrophobicContact CD1-CG 4.31Å; F293-R309 WeakPolarHBondContact CD1-O 3.46Å; F293-R309 HydrophobicContact CE1-CB 4.14Å; F293-R309 HydrophobicContact CE1-CG 4.06Å; F293-R309 HydrophobicContact CE2-CG 4.29Å; F293-R309 HydrophobicContact CG-CB 4.19Å; F293-R309 HydrophobicContact CZ-CG 4.06Å; F293-L332 HydrophobicContact CB-CD1 3.93Å; F293-L332 HydrophobicContact CD1-CD1 3.92Å; F293-L332 HydrophobicContact CG-CD1 3.93Å; F293-V336 HydrophobicContact CD1-CG2 4.29Å; F293-V336 HydrophobicContact CE1-CG2 3.75Å; F293-V336 HydrophobicContact CZ-CG2 4.36Å; F293-I349 HydrophobicContact CD2-CD1 4.17Å; F293-I349 HydrophobicContact CE1-CD1 4.43Å; F293-I349 HydrophobicContact CE2-CD1 3.71Å; F293-I349 HydrophobicContact CZ-CD1 3.85Å
294	T	98.8	Very high	97.5	Very high	25 Å²	25	51.3 Å²	51.3	15%	0.153	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.3	172.6	-47.6	0	0	0	0	109.9	V282 V283 H296 R309 D310 V311	V282-T294 WeakPolarHBondContact O-CA 3.38Å; V283-T294 HydrophobicContact CG2-CG2 4.2Å; T294-H296 WeakPolarHBondContact CG2-CE1 3.42Å; T294-R309 PolarHBondContact N-O 3.06Å; T294-D310 WeakPolarHBondContact CB-OD1 3.45Å; T294-D310 WeakPolarHBondContact O-CA 3.24Å; T294-V311 PolarHBondContact O-N 2.89Å
295	I	98.9	Very high	97.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	118.6	169.3	-50.4	-177.5	0	0	0	108.3	S281 V282 L284 Y297 V311 Y313 L328 D331 L332	S281-I295 CarbonylContact C-O 3.32Å; S281-I295 VanDerWaalsContact CA-O 3.28Å; S281-I295 WeakPolarHBondContact CA-O 3.32Å; V282-I295 PolarHBondContact N-O 3.18Å; V282-I295 PolarHBondContact O-N 3.22Å; L284-I295 HydrophobicContact CD1-CD1 3.55Å; L284-I295 HydrophobicContact CD1-CG1 3.95Å; I295-Y297 HydrophobicContact CG2-CE1 3.88Å; I295-Y297 HydrophobicContact CG2-CE2 4.12Å; I295-V311 CarbonylContact C-O 3.58Å; I295-V311 VanDerWaalsContact CA-O 3.27Å; I295-V311 WeakPolarHBondContact CA-O 3.41Å; I295-V311 HydrophobicContact CG1-CB 4.35Å; I295-V311 HydrophobicContact CG2-CB 4.43Å; I295-Y313 HydrophobicContact CG2-CD2 3.83Å; I295-Y313 HydrophobicContact CG2-CE2 4.11Å; I295-L328 HydrophobicContact CD1-CD2 4.38Å; I295-D331 HydrophobicContact CD1-CB 3.97Å; I295-L332 HydrophobicContact CD1-CB 4.16Å
296	H	98.8	Very high	97.4	Very high	43 Å²	43	52.7 Å²	52.7	20%	0.199	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.6	179.1	-53.5	-80.7	0	0	0	110.9	S281 T294 V298 D310 V311 T312 Y313	S281-H296 PolarHBondContact OG-ND1 3.32Å; T294-H296 WeakPolarHBondContact CG2-CE1 3.42Å; H296-V298 HydrophobicContact CB-CG1 4.08Å; H296-D310 IonicContact NE2-OD1 3.28Å; H296-D310 PolarHBondContact NE2-OD1 3.19Å; H296-D310 VanDerWaalsContact NE2-OD1 3.13Å; H296-V311 PolarHBondContact N-O 3.48Å; H296-T312 HydrophobicContact CB-CG2 4.28Å; H296-T312 CarbonylContact O-C 3.56Å; H296-T312 WeakPolarHBondContact O-CA 3.41Å; H296-Y313 PolarHBondContact O-N 3.32Å
297	Y	98.8	Very high	97.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	99.1	169.9	-54.9	-71.5	0	0	0	108.8	S279 V280 V282 I295 Y313 I315 L324 R326 L328 D331	S279-Y297 CarbonylContact C-O 3.55Å; S279-Y297 VanDerWaalsContact CA-O 3.27Å; S279-Y297 WeakPolarHBondContact CA-O 3.34Å; V280-Y297 PolarHBondContact N-O 3.36Å; V280-Y297 WeakPolarHBondContact O-CA 3.41Å; V280-Y297 WeakPolarHBondContact O-CB 3.5Å; V280-Y297 VanDerWaalsContact O-CD2 3.31Å; V280-Y297 WeakPolarHBondContact O-CD2 3.36Å; V280-Y297 PolarHBondContact O-N 3.14Å; V282-Y297 HydrophobicContact CG2-CD2 4.4Å; V282-Y297 HydrophobicContact CG2-CE2 3.79Å; I295-Y297 HydrophobicContact CG2-CE1 3.88Å; I295-Y297 HydrophobicContact CG2-CE2 4.12Å; Y297-Y313 CarbonylContact C-O 3.58Å; Y297-Y313 WeakPolarHBondContact CA-O 3.19Å; Y297-Y313 HydrophobicContact CE1-CD2 4.16Å; Y297-Y313 HydrophobicContact CE1-CG 4.46Å; Y297-I315 HydrophobicContact CD1-CG2 3.99Å; Y297-I315 HydrophobicContact CG-CG2 4.3Å; Y297-L324 HydrophobicContact CD2-CD2 4.46Å; Y297-L324 HydrophobicContact CG-CD2 4.25Å; Y297-R326 HydrophobicContact CD1-CG 4.24Å; Y297-R326 HydrophobicContact CE1-CB 4.23Å; Y297-R326 HydrophobicContact CE1-CG 3.62Å; Y297-R326 HydrophobicContact CE2-CG 4.21Å; Y297-R326 WeakPolarHBondContact OH-CB 3.2Å; Y297-L328 WeakPolarHBondContact OH-CD2 3.43Å; Y297-D331 PolarHBondContact OH-OD2 3.44Å; Y297-D331 VanDerWaalsContact OH-OD2 3.13Å
298	V	98.6	Very high	97.3	Very high	27 Å²	27	64 Å²	64	16%	0.164	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	147.9	-169.7	-63	0	0	0	0	111.9	H296 N300 T312 Y313 G314 I315	H296-V298 HydrophobicContact CB-CG1 4.08Å; V298-N300 WeakPolarHBondContact CG2-ND2 3.46Å; V298-N300 WeakPolarHBondContact CG2-OD1 3.44Å; V298-N300 PolarHBondContact O-N 2.85Å; V298-T312 HydrophobicContact CB-CG2 4.44Å; V298-T312 HydrophobicContact CG1-CG2 3.92Å; V298-T312 HydrophobicContact CG2-CG2 3.58Å; V298-Y313 PolarHBondContact N-O 3.29Å; V298-G314 WeakPolarHBondContact O-CA 3.42Å; V298-I315 WeakPolarHBondContact O-CG1 3.35Å; V298-I315 PolarHBondContact O-N 2.84Å
299	T	98.2	Very high	97.4	Very high	14 Å²	14	63.3 Å²	63.3	9%	0.086	34%	0.335	C	S	.	.	S	Bend	trans	-78.1	53.7	-177.2	59.3	0	0	0	0	113.7	F274 N277 G278 G316	F274-T299 HydrophobicContact CB-CG2 4.24Å; F274-T299 HydrophobicContact CD1-CG2 4.12Å; F274-T299 HydrophobicContact CD2-CG2 3.28Å; F274-T299 HydrophobicContact CE1-CG2 4.28Å; F274-T299 HydrophobicContact CE2-CG2 3.4Å; F274-T299 VanDerWaalsContact CE2-CG2 3.4Å; F274-T299 HydrophobicContact CG-CG2 3.64Å; F274-T299 HydrophobicContact CZ-CG2 3.95Å; N277-T299 VanDerWaalsContact CA-OG1 3.24Å; N277-T299 WeakPolarHBondContact CA-OG1 3.38Å; G278-T299 PolarHBondContact N-OG1 3.08Å; G278-T299 PolarHBondContact O-N 2.98Å; G278-T299 VanDerWaalsContact O-N 3.08Å; G278-T299 PolarHBondContact O-OG1 3.09Å; T299-G316 CarbonylContact C-O 3.42Å; T299-G316 WeakPolarHBondContact CA-O 3.41Å
300	N	97.6	Very high	97.7	Very high	67 Å²	67	56.7 Å²	56.7	36%	0.358	31%	0.31	S	S	.	.	S	Bend	trans	-136.7	-175.9	174.7	72.4	26.1	0	0	0	110.4	V298 Q302 G314 I315 G316	V298-N300 WeakPolarHBondContact CG2-ND2 3.46Å; V298-N300 WeakPolarHBondContact CG2-OD1 3.44Å; V298-N300 PolarHBondContact O-N 2.85Å; N300-Q302 WeakPolarHBondContact OD1-CB 3.28Å; N300-Q302 PolarHBondContact OD1-N 3.26Å; N300-G314 CarbonylContact O-C 3.5Å; N300-G314 VanDerWaalsContact O-CA 3.24Å; N300-G314 WeakPolarHBondContact O-CA 3.43Å; N300-G314 WeakPolarHBondContact OD1-CA 3.4Å; N300-I315 PolarHBondContact O-N 2.83Å; N300-G316 WeakPolarHBondContact O-CA 3.14Å; N300-G316 PolarHBondContact O-N 2.91Å
301	T	97.5	Very high	97.9	Very high	119 Å²	119	54 Å²	54	73%	0.73	28%	0.281	S	S	*	.			trans	-102.9	12.5	-178.6	54.5	0	0	0	0	113.6	L303	T301-L303 PolarHBondContact O-N 3.38Å
302	Q	96.8	Very high	98	Very high	88 Å²	88	51.1 Å²	51.1	41%	0.411	26%	0.263	S	S	.	.			trans	-61.4	130.3	175.4	-178	172.8	25.2	0	0	109.7	N300 G314	N300-Q302 WeakPolarHBondContact OD1-CB 3.28Å; N300-Q302 PolarHBondContact OD1-N 3.26Å; Q302-G314 WeakPolarHBondContact O-CA 3.48Å; Q302-G314 PolarHBondContact O-N 3.31Å
303	L	97.1	Very high	98.1	Very high	52 Å²	52	48.6 Å²	48.6	27%	0.272	25%	0.246	S	C	.	.			trans	-67.1	-59.6	-176.1	177.4	68	0	0	0	112.4	K162 L172 T301 Y313	K162-L303 HydrophobicContact CD-CD2 3.9Å; L172-L303 HydrophobicContact CD2-CD1 3.88Å; L172-L303 HydrophobicContact CD2-CD2 3.31Å; L172-L303 HydrophobicContact CD2-CG 4.23Å; T301-L303 PolarHBondContact O-N 3.38Å; L303-Y313 WeakPolarHBondContact O-CD1 3.19Å
304	I	98.3	Very high	98.1	Very high	19 Å²	19	48.4 Å²	48.4	10%	0.097	25%	0.246	C	C	.	.			trans	-161.1	143.4	-179.3	-171.4	174	0	0	0	109	C163 T312 Y313 K334 L338	C163-I304 HydrophobicContact CB-CD1 4.02Å; I304-T312 CarbonylContact C-O 3.48Å; I304-T312 WeakPolarHBondContact CA-O 2.99Å; I304-Y313 HydrophobicContact CB-CD1 4.31Å; I304-Y313 HydrophobicContact CB-CE1 4.05Å; I304-Y313 HydrophobicContact CD1-CE1 3.64Å; I304-Y313 HydrophobicContact CD1-CE2 4.37Å; I304-Y313 VanDerWaalsContact CD1-CZ 3.5Å; I304-Y313 WeakPolarHBondContact CD1-OH 3.43Å; I304-Y313 HydrophobicContact CG1-CD1 4.28Å; I304-Y313 HydrophobicContact CG1-CE1 3.77Å; I304-Y313 HydrophobicContact CG1-CE2 4.44Å; I304-K334 HydrophobicContact CD1-CB 4.36Å; I304-L338 HydrophobicContact CD1-CD1 4.47Å; I304-L338 HydrophobicContact CG2-CD1 3.63Å; I304-L338 HydrophobicContact CG2-CD2 4.29Å
305	A	98.3	Very high	98.1	Very high	27 Å²	27	47.3 Å²	47.3	22%	0.223	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157	165.8	0	0	0	0	0	110.6	V311 T312	A305-V311 CarbonylContact O-C 3.5Å; A305-V311 WeakPolarHBondContact O-CA 3.29Å; A305-T312 PolarHBondContact N-O 3.42Å; A305-T312 PolarHBondContact O-N 3.11Å
306	F	98.1	Very high	98	Very high	71 Å²	71	47.5 Å²	47.5	31%	0.311	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	125.5	175.2	177.1	-120.4	0	0	0	109.2	F293 E308 D310 V311 G335 V336 L338	F293-F306 HydrophobicContact CD1-CE2 4.44Å; F293-F306 AromaticContact CE1-CE2 3.99Å; F293-F306 HydrophobicContact CE1-CE2 3.99Å; F293-F306 HydrophobicContact CE1-CZ 4.22Å; F306-E308 WeakPolarHBondContact CE2-O 3.49Å; F306-E308 WeakPolarHBondContact CZ-O 3.39Å; F306-D310 WeakPolarHBondContact CA-O 3.22Å; F306-D310 WeakPolarHBondContact CD2-O 3.47Å; F306-V311 HydrophobicContact CD2-CG2 3.72Å; F306-V311 HydrophobicContact CE2-CG2 4.17Å; F306-G335 VanDerWaalsContact CB-O 3.27Å; F306-G335 WeakPolarHBondContact CB-O 3.22Å; F306-G335 VanDerWaalsContact CG-O 3.28Å; F306-G335 WeakPolarHBondContact CG-O 3.48Å; F306-V336 HydrophobicContact CE2-CG2 4.09Å; F306-V336 HydrophobicContact CZ-CB 4.5Å; F306-V336 HydrophobicContact CZ-CG2 4.13Å; F306-L338 HydrophobicContact CB-CB 4.35Å; F306-L338 HydrophobicContact CB-CD2 4.07Å
307	K	97.7	Very high	98	Very high	152 Å²	152	49.6 Å²	49.6	66%	0.661	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	118.7	174.1	-175	-177.6	176.6	-171.5	0	108.1	R309 D310	K307-R309 PolarHBondContact O-N 2.71Å; K307-D310 PolarHBondContact N-O 2.8Å; K307-D310 PolarHBondContact O-N 2.56Å
308	E	95.4	Very high	97.9	Very high	156 Å²	156	51.7 Å²	51.7	73%	0.729	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	-97.6	179.7	-62.4	172.7	-154.9	0	0	113.5	F306	F306-E308 WeakPolarHBondContact CE2-O 3.49Å; F306-E308 WeakPolarHBondContact CZ-O 3.39Å
309	R	97.4	Very high	97.9	Very high	66 Å²	66	54.4 Å²	54.4	25%	0.249	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	10.1	178.3	-65	-164.2	-179.9	-129.9	-7.9	113.4	K289 P291 F293 T294 K307	K289-R309 PolarHBondContact O-NH1 3.22Å; K289-R309 PolarHBondContact O-NH2 2.87Å; P291-R309 WeakPolarHBondContact O-CD 3.27Å; P291-R309 PolarHBondContact O-NH1 3.06Å; F293-R309 CarbonylContact C-O 3.55Å; F293-R309 VanDerWaalsContact CA-O 3.3Å; F293-R309 WeakPolarHBondContact CA-O 3.44Å; F293-R309 HydrophobicContact CD1-CB 3.94Å; F293-R309 HydrophobicContact CD1-CG 4.31Å; F293-R309 WeakPolarHBondContact CD1-O 3.46Å; F293-R309 HydrophobicContact CE1-CB 4.14Å; F293-R309 HydrophobicContact CE1-CG 4.06Å; F293-R309 HydrophobicContact CE2-CG 4.29Å; F293-R309 HydrophobicContact CG-CB 4.19Å; F293-R309 HydrophobicContact CZ-CG 4.06Å; T294-R309 PolarHBondContact N-O 3.06Å; K307-R309 PolarHBondContact O-N 2.71Å
310	D	98.4	Very high	97.8	Very high	62 Å²	62	57.5 Å²	57.5	33%	0.332	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121	-180	-59.4	-62.2	0	0	0	110.1	T294 H296 F306 K307	T294-D310 WeakPolarHBondContact CB-OD1 3.45Å; T294-D310 WeakPolarHBondContact O-CA 3.24Å; H296-D310 IonicContact NE2-OD1 3.28Å; H296-D310 PolarHBondContact NE2-OD1 3.19Å; H296-D310 VanDerWaalsContact NE2-OD1 3.13Å; F306-D310 WeakPolarHBondContact CA-O 3.22Å; F306-D310 WeakPolarHBondContact CD2-O 3.47Å; K307-D310 PolarHBondContact N-O 2.8Å; K307-D310 PolarHBondContact O-N 2.56Å
311	V	98.7	Very high	97.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.5	172.5	-177.6	0	0	0	0	107.7	T294 I295 H296 A305 F306 Y313	T294-V311 PolarHBondContact O-N 2.89Å; I295-V311 CarbonylContact C-O 3.58Å; I295-V311 VanDerWaalsContact CA-O 3.27Å; I295-V311 WeakPolarHBondContact CA-O 3.41Å; I295-V311 HydrophobicContact CG1-CB 4.35Å; I295-V311 HydrophobicContact CG2-CB 4.43Å; H296-V311 PolarHBondContact N-O 3.48Å; A305-V311 CarbonylContact O-C 3.5Å; A305-V311 WeakPolarHBondContact O-CA 3.29Å; F306-V311 HydrophobicContact CD2-CG2 3.72Å; F306-V311 HydrophobicContact CE2-CG2 4.17Å; V311-Y313 HydrophobicContact CG1-CD2 4Å; V311-Y313 HydrophobicContact CG1-CE2 3.42Å; V311-Y313 VanDerWaalsContact CG1-CE2 3.42Å
312	T	98.8	Very high	97.8	Very high	28 Å²	28	52.2 Å²	52.2	17%	0.172	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.3	-178.3	-56.6	0	0	0	0	110.9	H296 V298 I304 A305	H296-T312 HydrophobicContact CB-CG2 4.28Å; H296-T312 CarbonylContact O-C 3.56Å; H296-T312 WeakPolarHBondContact O-CA 3.41Å; V298-T312 HydrophobicContact CB-CG2 4.44Å; V298-T312 HydrophobicContact CG1-CG2 3.92Å; V298-T312 HydrophobicContact CG2-CG2 3.58Å; I304-T312 CarbonylContact C-O 3.48Å; I304-T312 WeakPolarHBondContact CA-O 2.99Å; A305-T312 PolarHBondContact N-O 3.42Å; A305-T312 PolarHBondContact O-N 3.11Å
313	Y	98.8	Very high	97.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.4	172.6	-72.9	-86.1	0	0	0	109.9	C163 I295 H296 Y297 V298 L303 I304 V311 D331	C163-Y313 HydrophobicContact CB-CE1 3.78Å; I295-Y313 HydrophobicContact CG2-CD2 3.83Å; I295-Y313 HydrophobicContact CG2-CE2 4.11Å; H296-Y313 PolarHBondContact O-N 3.32Å; Y297-Y313 CarbonylContact C-O 3.58Å; Y297-Y313 WeakPolarHBondContact CA-O 3.19Å; Y297-Y313 HydrophobicContact CE1-CD2 4.16Å; Y297-Y313 HydrophobicContact CE1-CG 4.46Å; V298-Y313 PolarHBondContact N-O 3.29Å; L303-Y313 WeakPolarHBondContact O-CD1 3.19Å; I304-Y313 HydrophobicContact CB-CD1 4.31Å; I304-Y313 HydrophobicContact CB-CE1 4.05Å; I304-Y313 HydrophobicContact CD1-CE1 3.64Å; I304-Y313 HydrophobicContact CD1-CE2 4.37Å; I304-Y313 VanDerWaalsContact CD1-CZ 3.5Å; I304-Y313 WeakPolarHBondContact CD1-OH 3.43Å; I304-Y313 HydrophobicContact CG1-CD1 4.28Å; I304-Y313 HydrophobicContact CG1-CE1 3.77Å; I304-Y313 HydrophobicContact CG1-CE2 4.44Å; V311-Y313 HydrophobicContact CG1-CD2 4Å; V311-Y313 HydrophobicContact CG1-CE2 3.42Å; V311-Y313 VanDerWaalsContact CG1-CE2 3.42Å; Y313-D331 HydrophobicContact CD2-CB 4.49Å; Y313-D331 HydrophobicContact CE2-CB 3.66Å; Y313-D331 WeakPolarHBondContact OH-CA 3.19Å; Y313-D331 PolarHBondContact OH-O 2.89Å
314	G	98.8	Very high	97.9	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	125.1	168.1	0	0	0	0	0	110.6	G166 V167 V298 N300 Q302	G166-G314 CarbonylContact C-O 3.53Å; G166-G314 VanDerWaalsContact CA-O 3.26Å; G166-G314 WeakPolarHBondContact CA-O 3.49Å; V167-G314 PolarHBondContact N-O 3.38Å; V298-G314 WeakPolarHBondContact O-CA 3.42Å; N300-G314 CarbonylContact O-C 3.5Å; N300-G314 VanDerWaalsContact O-CA 3.24Å; N300-G314 WeakPolarHBondContact O-CA 3.43Å; N300-G314 WeakPolarHBondContact OD1-CA 3.4Å; Q302-G314 WeakPolarHBondContact O-CA 3.48Å; Q302-G314 PolarHBondContact O-N 3.31Å
315	I	98.6	Very high	98	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	27%	0.274	C	S	.	.			trans	-106.3	9.1	179.4	60	166.7	0	0	0	113.4	L272 F274 Y297 V298 N300 R318 L324	L272-I315 HydrophobicContact CD2-CD1 3.98Å; F274-I315 HydrophobicContact CE2-CD1 4.48Å; Y297-I315 HydrophobicContact CD1-CG2 3.99Å; Y297-I315 HydrophobicContact CG-CG2 4.3Å; V298-I315 WeakPolarHBondContact O-CG1 3.35Å; V298-I315 PolarHBondContact O-N 2.84Å; N300-I315 PolarHBondContact O-N 2.83Å; I315-R318 HydrophobicContact CD1-CG 3.99Å; I315-R318 HydrophobicContact CG1-CG 4.15Å; I315-R318 WeakPolarHBondContact O-CG 3.25Å; I315-R318 PolarHBondContact O-NE 2.92Å; I315-L324 HydrophobicContact CD1-CD2 4.01Å; I315-L324 HydrophobicContact CG2-CD1 3.99Å
316	G	98.1	Very high	98	Very high	3 Å²	3	49.6 Å²	49.6	3%	0.031	26%	0.264	C	S	.	.			trans	74.6	-176.7	-174.8	0	0	0	0	0	112.7	T299 N300 R318	T299-G316 CarbonylContact C-O 3.42Å; T299-G316 WeakPolarHBondContact CA-O 3.41Å; N300-G316 WeakPolarHBondContact O-CA 3.14Å; N300-G316 PolarHBondContact O-N 2.91Å; G316-R318 VanDerWaalsContact C-N 3.32Å; G316-R318 PolarHBondContact O-N 2.87Å
317	P	97.6	Very high	98	Very high	87 Å²	87	48.3 Å²	48.3	57%	0.565	26%	0.26	S	S	*	.			trans	-65.3	-31	-173.1	-23.6	34.3	0	0	0	114.4	S319	P317-S319 PolarHBondContact O-N 3.41Å; P317-S319 VanDerWaalsContact O-N 3.14Å
318	R	97.5	Very high	98.1	Very high	45 Å²	45	41 Å²	41	17%	0.17	23%	0.229	C	C	.	.			trans	48.1	40.8	-177.5	-61.4	-74.2	173.7	172.3	0.1	112.7	G166 K273 F274 I315 G316 S320 S322	G166-R318 PolarHBondContact O-NH2 2.9Å; G166-R318 VanDerWaalsContact O-NH2 3.08Å; K273-R318 CarbonylContact C-O 3.54Å; K273-R318 WeakPolarHBondContact CA-O 3.4Å; F274-R318 HydrophobicContact CD2-CB 4.02Å; F274-R318 PolarHBondContact N-O 3.26Å; I315-R318 HydrophobicContact CD1-CG 3.99Å; I315-R318 HydrophobicContact CG1-CG 4.15Å; I315-R318 WeakPolarHBondContact O-CG 3.25Å; I315-R318 PolarHBondContact O-NE 2.92Å; G316-R318 VanDerWaalsContact C-N 3.32Å; G316-R318 PolarHBondContact O-N 2.87Å; R318-S320 VanDerWaalsContact C-N 3.28Å; R318-S320 PolarHBondContact O-N 2.9Å; R318-S322 WeakPolarHBondContact CD-OG 2.85Å; R318-S322 PolarHBondContact NH1-OG 2.96Å
319	S	97.1	Very high	98.2	Very high	84 Å²	84	35.4 Å²	35.4	59%	0.587	20%	0.204	S	C	*	.			trans	-76.7	-14.3	-178.6	53.3	0	0	0	0	113.8	K273 P317	K273-S319 WeakPolarHBondContact CE-O 3.36Å; P317-S319 PolarHBondContact O-N 3.41Å; P317-S319 VanDerWaalsContact O-N 3.14Å
320	S	97.1	Very high	98.3	Very high	79 Å²	79	32.7 Å²	32.7	55%	0.552	19%	0.194	S	C	*	.	S	Bend	trans	-110.6	157.2	168.4	55.9	0	0	0	0	110.5	R318 S322	R318-S320 VanDerWaalsContact C-N 3.28Å; R318-S320 PolarHBondContact O-N 2.9Å; S320-S322 PolarHBondContact O-N 3Å
321	W	97.7	Very high	98.3	Very high	45 Å²	45	29.8 Å²	29.8	17%	0.17	18%	0.179	C	C	.	.			trans	-57.8	128.2	175.4	-82.1	115.6	0	0	0	110.8	D237 R240 V244 D271 K273 F364 D366	D237-W321 PolarHBondContact OD2-NE1 3.25Å; R240-W321 VanDerWaalsContact CD-CD2 3.46Å; R240-W321 VanDerWaalsContact CD-CE2 3.41Å; R240-W321 HydrophobicContact CG-CG 4.31Å; R240-W321 VanDerWaalsContact NH1-CE3 3.32Å; V244-W321 HydrophobicContact CB-CH2 4.15Å; V244-W321 HydrophobicContact CB-CZ2 4.3Å; V244-W321 HydrophobicContact CG1-CH2 3.83Å; V244-W321 HydrophobicContact CG1-CZ2 3.85Å; V244-W321 HydrophobicContact CG2-CZ2 4.3Å; D271-W321 HydrophobicContact CB-CE3 4.04Å; D271-W321 HydrophobicContact CB-CZ3 3.78Å; K273-W321 HydrophobicContact CB-CD2 3.73Å; K273-W321 HydrophobicContact CB-CE3 3.96Å; K273-W321 HydrophobicContact CB-CG 4.13Å; K273-W321 HydrophobicContact CB-CZ2 4.39Å; K273-W321 HydrophobicContact CB-CZ3 4.4Å; K273-W321 HydrophobicContact CD-CD2 4.26Å; K273-W321 HydrophobicContact CD-CG 4.08Å; W321-F364 HydrophobicContact CH2-CB 3.59Å; W321-F364 HydrophobicContact CZ2-CB 3.62Å; W321-F364 HydrophobicContact CZ2-CG 4.38Å; W321-D366 HydrophobicContact CH2-CB 4.26Å; W321-D366 HydrophobicContact CZ3-CB 4.38Å
322	S	97.2	Very high	98.3	Very high	30 Å²	30	29.8 Å²	29.8	21%	0.21	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	151.9	172.3	57.4	0	0	0	0	110	L272 R318 S320	L272-S322 PolarHBondContact N-O 3.23Å; L272-S322 PolarHBondContact O-N 3.14Å; L272-S322 VanDerWaalsContact O-N 3.13Å; R318-S322 WeakPolarHBondContact CD-OG 2.85Å; R318-S322 PolarHBondContact NH1-OG 2.96Å; S320-S322 PolarHBondContact O-N 3Å
323	T	98.4	Very high	98.3	Very high	81 Å²	81	32 Å²	32	50%	0.497	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.1	174.2	-46.6	0	0	0	0	109.4	S269 L270 D271	S269-T323 VanDerWaalsContact OG-CG2 3.31Å; S269-T323 WeakPolarHBondContact OG-CG2 3.46Å; L270-T323 CarbonylContact O-C 3.49Å; L270-T323 WeakPolarHBondContact O-CA 3.43Å; D271-T323 WeakPolarHBondContact OD1-CB 3.32Å; D271-T323 PolarHBondContact OD1-OG1 3.07Å
324	L	98.6	Very high	98.3	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.1	171.8	179.7	66.6	0	0	0	108.4	S269 L270 Y297 I315 R326	S269-L324 VanDerWaalsContact CA-O 3.27Å; S269-L324 WeakPolarHBondContact CA-O 3.42Å; L270-L324 HydrophobicContact CD2-CB 4.36Å; L270-L324 HydrophobicContact CD2-CD2 4.28Å; L270-L324 HydrophobicContact CG-CB 4.45Å; L270-L324 PolarHBondContact N-O 3.21Å; L270-L324 PolarHBondContact O-N 2.92Å; Y297-L324 HydrophobicContact CD2-CD2 4.46Å; Y297-L324 HydrophobicContact CG-CD2 4.25Å; I315-L324 HydrophobicContact CD1-CD2 4.01Å; I315-L324 HydrophobicContact CG2-CD1 3.99Å; L324-R326 HydrophobicContact CD1-CG 4.05Å; L324-R326 HydrophobicContact CD2-CG 4.42Å; L324-R326 HydrophobicContact CG-CG 3.97Å
325	T	98.8	Very high	98.2	Very high	41 Å²	41	32.3 Å²	32.3	25%	0.252	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.9	175.6	-58.5	0	0	0	0	110.3	I267 L268 S269 A374 A377	I267-T325 HydrophobicContact CG2-CG2 3.79Å; L268-T325 CarbonylContact O-C 3.58Å; L268-T325 VanDerWaalsContact O-CA 3.3Å; L268-T325 WeakPolarHBondContact O-CA 3.35Å; S269-T325 PolarHBondContact OG-OG1 2.85Å; T325-A374 HydrophobicContact CG2-CB 3.64Å; T325-A377 HydrophobicContact CG2-CB 4.08Å
326	R	98.8	Very high	98.2	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.019	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.5	-172.4	-56.4	-57.2	-51.4	179.2	-5.7	111.8	I164 S165 I267 L268 Y297 L324 L328 D331	I164-R326 PolarHBondContact O-NH2 2.86Å; S165-R326 PolarHBondContact O-NH1 3.28Å; I267-R326 CarbonylContact C-O 3.6Å; I267-R326 WeakPolarHBondContact CA-O 3.33Å; L268-R326 PolarHBondContact N-O 3.05Å; L268-R326 PolarHBondContact O-N 2.86Å; Y297-R326 HydrophobicContact CD1-CG 4.24Å; Y297-R326 HydrophobicContact CE1-CB 4.23Å; Y297-R326 HydrophobicContact CE1-CG 3.62Å; Y297-R326 HydrophobicContact CE2-CG 4.21Å; Y297-R326 WeakPolarHBondContact OH-CB 3.2Å; L324-R326 HydrophobicContact CD1-CG 4.05Å; L324-R326 HydrophobicContact CD2-CG 4.42Å; L324-R326 HydrophobicContact CG-CG 3.97Å; R326-L328 PolarHBondContact O-N 2.8Å; R326-D331 IonicContact CZ-OD1 3.52Å; R326-D331 IonicContact CZ-OD2 2.85Å; R326-D331 VanDerWaalsContact CZ-OD2 3.27Å; R326-D331 IonicContact NE-OD1 3.67Å; R326-D331 IonicContact NE-OD2 3.28Å; R326-D331 PolarHBondContact NE-OD2 2.86Å; R326-D331 VanDerWaalsContact NH2-CG 3.26Å; R326-D331 IonicContact NH2-OD1 2.69Å; R326-D331 PolarHBondContact NH2-OD1 3.05Å; R326-D331 IonicContact NH2-OD2 2.83Å; R326-D331 PolarHBondContact NH2-OD2 2.89Å
327	D	98.8	Very high	98.2	Very high	44 Å²	44	33.6 Å²	33.6	24%	0.235	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	104.4	167	175.7	-1.8	0	0	0	109.3	I267 L329 T330 D331	I267-D327 HydrophobicContact CD1-CB 3.54Å; D327-L329 VanDerWaalsContact C-N 3.26Å; D327-L329 PolarHBondContact O-N 2.86Å; D327-L329 WeakPolarHBondContact OD1-CB 3.39Å; D327-L329 PolarHBondContact OD1-N 2.84Å; D327-T330 PolarHBondContact O-N 3.48Å; D327-T330 PolarHBondContact OD1-N 3.34Å; D327-T330 VanDerWaalsContact OD2-CB 3.28Å; D327-T330 WeakPolarHBondContact OD2-CB 3.39Å; D327-T330 PolarHBondContact OD2-OG1 2.99Å; D327-D331 WeakPolarHBondContact O-CB 3.23Å; D327-D331 PolarHBondContact O-N 3.09Å
328	L	98.8	Very high	98.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.3	-27.2	-175.7	-57.8	171.8	0	0	0	112.3	F266 L268 V282 L284 I295 Y297 R326 L332 V354	F266-L328 HydrophobicContact CB-CB 4.38Å; F266-L328 VanDerWaalsContact O-CB 3.27Å; F266-L328 WeakPolarHBondContact O-CB 3.27Å; F266-L328 VanDerWaalsContact O-CG 3.23Å; F266-L328 WeakPolarHBondContact O-CG 3.06Å; F266-L328 PolarHBondContact O-N 3.39Å; L268-L328 HydrophobicContact CB-CD1 4.1Å; L268-L328 HydrophobicContact CB-CD2 4.26Å; L268-L328 HydrophobicContact CB-CG 4.25Å; V282-L328 HydrophobicContact CB-CD2 4.32Å; V282-L328 HydrophobicContact CG1-CD1 4.07Å; V282-L328 HydrophobicContact CG1-CD2 4.12Å; V282-L328 HydrophobicContact CG2-CD2 4.24Å; L284-L328 HydrophobicContact CD1-CB 4.19Å; L284-L328 HydrophobicContact CD2-CD1 4.14Å; I295-L328 HydrophobicContact CD1-CD2 4.38Å; Y297-L328 WeakPolarHBondContact OH-CD2 3.43Å; R326-L328 PolarHBondContact O-N 2.8Å; L328-L332 WeakPolarHBondContact O-CB 3.41Å; L328-L332 PolarHBondContact O-N 3.37Å; L328-V354 HydrophobicContact CD1-CG1 4.17Å; L328-V354 HydrophobicContact CD1-CG2 3.7Å
329	L	98.7	Very high	98.1	Very high	38 Å²	38	30 Å²	30	20%	0.199	17%	0.173	C	C	.	.	H	α-helix	trans	-69.1	-49.6	174.6	168.5	63.5	0	0	0	110.4	D327 R333 M350 P351	D327-L329 VanDerWaalsContact C-N 3.26Å; D327-L329 PolarHBondContact O-N 2.86Å; D327-L329 WeakPolarHBondContact OD1-CB 3.39Å; D327-L329 PolarHBondContact OD1-N 2.84Å; L329-R333 HydrophobicContact CD1-CG 4.15Å; L329-R333 WeakPolarHBondContact O-CB 3.18Å; L329-R333 WeakPolarHBondContact O-CG 3.19Å; L329-R333 PolarHBondContact O-N 2.85Å; L329-M350 HydrophobicContact CD1-CE 3.81Å; L329-M350 HydrophobicContact CD1-SD 3.47Å; L329-M350 WeakPolarHBondContact CD1-SD 3.33Å; L329-M350 HydrophobicContact CD2-CE 3.95Å; L329-M350 HydrophobicContact CD2-SD 4.41Å; L329-P351 HydrophobicContact CB-CG 4.14Å; L329-P351 VanDerWaalsContact CD1-CD 3.44Å; L329-P351 HydrophobicContact CD1-CG 4.28Å
330	T	98.7	Very high	98	Very high	8 Å²	8	33 Å²	33	5%	0.049	18%	0.182	C	C	.	.	H	α-helix	trans	-62.3	-49.3	177.8	-70	0	0	0	0	110.3	E156 I164 D327 L332 R333 K334	E156-T330 HydrophobicContact CB-CG2 4.11Å; E156-T330 HydrophobicContact CG-CG2 4.44Å; I164-T330 HydrophobicContact CG1-CG2 4Å; D327-T330 PolarHBondContact O-N 3.48Å; D327-T330 PolarHBondContact OD1-N 3.34Å; D327-T330 VanDerWaalsContact OD2-CB 3.28Å; D327-T330 WeakPolarHBondContact OD2-CB 3.39Å; D327-T330 PolarHBondContact OD2-OG1 2.99Å; T330-L332 VanDerWaalsContact C-N 3.34Å; T330-L332 PolarHBondContact O-N 2.76Å; T330-R333 PolarHBondContact O-N 2.78Å; T330-K334 HydrophobicContact CG2-CG 4.07Å; T330-K334 WeakPolarHBondContact O-CB 3.48Å; T330-K334 VanDerWaalsContact O-CG 3.23Å; T330-K334 WeakPolarHBondContact O-CG 3.34Å; T330-K334 PolarHBondContact O-N 2.91Å
331	D	98.8	Very high	97.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-61.6	-41.3	-176.9	-78.2	-10.5	0	0	0	112.4	I295 Y297 Y313 R326 D327 G335	I295-D331 HydrophobicContact CD1-CB 3.97Å; Y297-D331 PolarHBondContact OH-OD2 3.44Å; Y297-D331 VanDerWaalsContact OH-OD2 3.13Å; Y313-D331 HydrophobicContact CD2-CB 4.49Å; Y313-D331 HydrophobicContact CE2-CB 3.66Å; Y313-D331 WeakPolarHBondContact OH-CA 3.19Å; Y313-D331 PolarHBondContact OH-O 2.89Å; R326-D331 IonicContact CZ-OD1 3.52Å; R326-D331 IonicContact CZ-OD2 2.85Å; R326-D331 VanDerWaalsContact CZ-OD2 3.27Å; R326-D331 IonicContact NE-OD1 3.67Å; R326-D331 IonicContact NE-OD2 3.28Å; R326-D331 PolarHBondContact NE-OD2 2.86Å; R326-D331 VanDerWaalsContact NH2-CG 3.26Å; R326-D331 IonicContact NH2-OD1 2.69Å; R326-D331 PolarHBondContact NH2-OD1 3.05Å; R326-D331 IonicContact NH2-OD2 2.83Å; R326-D331 PolarHBondContact NH2-OD2 2.89Å; D327-D331 WeakPolarHBondContact O-CB 3.23Å; D327-D331 PolarHBondContact O-N 3.09Å; D331-G335 PolarHBondContact O-N 3.49Å
332	L	98.8	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.4	-51.7	174	177.9	64.5	0	0	0	111.7	T286 F293 I295 L328 T330 K334 G335 V336 I349 P351	T286-L332 HydrophobicContact CG2-CD2 3.73Å; F293-L332 HydrophobicContact CB-CD1 3.93Å; F293-L332 HydrophobicContact CD1-CD1 3.92Å; F293-L332 HydrophobicContact CG-CD1 3.93Å; I295-L332 HydrophobicContact CD1-CB 4.16Å; L328-L332 WeakPolarHBondContact O-CB 3.41Å; L328-L332 PolarHBondContact O-N 3.37Å; T330-L332 VanDerWaalsContact C-N 3.34Å; T330-L332 PolarHBondContact O-N 2.76Å; L332-K334 VanDerWaalsContact C-N 3.33Å; L332-K334 PolarHBondContact O-N 3.3Å; L332-G335 PolarHBondContact O-N 3.37Å; L332-V336 HydrophobicContact CD1-CG2 4.05Å; L332-V336 WeakPolarHBondContact O-CG2 3.2Å; L332-V336 PolarHBondContact O-N 2.91Å; L332-I349 HydrophobicContact CD1-CD1 4.22Å; L332-I349 HydrophobicContact CD2-CD1 4.04Å; L332-I349 HydrophobicContact CD2-CG1 4.05Å; L332-I349 HydrophobicContact CD2-CG2 4.31Å; L332-I349 HydrophobicContact CG-CD1 4.25Å; L332-I349 HydrophobicContact CG-CG2 4.24Å; L332-P351 HydrophobicContact CD2-CB 4.44Å
333	R	98.6	Very high	97.8	Very high	74 Å²	74	36.3 Å²	36.3	28%	0.279	20%	0.198	S	C	.	.	H	α-helix	trans	-64.2	-37.9	-176.8	-76	177.7	161.8	-178.3	-9.3	112.3	L329 T330 G337 T347 I349 M350	L329-R333 HydrophobicContact CD1-CG 4.15Å; L329-R333 WeakPolarHBondContact O-CB 3.18Å; L329-R333 WeakPolarHBondContact O-CG 3.19Å; L329-R333 PolarHBondContact O-N 2.85Å; T330-R333 PolarHBondContact O-N 2.78Å; R333-G337 WeakPolarHBondContact O-CA 3.45Å; R333-G337 PolarHBondContact O-N 3.37Å; R333-T347 HydrophobicContact CB-CG2 4.05Å; R333-T347 HydrophobicContact CG-CG2 4Å; R333-I349 HydrophobicContact CG-CG2 4Å; R333-I349 PolarHBondContact NE-O 3.24Å; R333-M350 PolarHBondContact NH2-SD 3.08Å
334	K	98.4	Very high	97.8	Very high	9 Å²	9	33.5 Å²	33.5	4%	0.039	18%	0.18	C	C	.	.	H	α-helix	trans	-71.9	-33.8	177.1	-63.7	-56.7	-177.2	176.4	0	112.3	E156 R158 V161 C163 I304 T330 L332 L338 V344	E156-K334 WeakPolarHBondContact O-CE 3.43Å; E156-K334 PolarHBondContact O-NZ 2.86Å; R158-K334 PolarHBondContact O-NZ 2.97Å; V161-K334 WeakPolarHBondContact O-CE 3.37Å; V161-K334 PolarHBondContact O-NZ 3.44Å; C163-K334 HydrophobicContact CB-CB 4.16Å; I304-K334 HydrophobicContact CD1-CB 4.36Å; T330-K334 HydrophobicContact CG2-CG 4.07Å; T330-K334 WeakPolarHBondContact O-CB 3.48Å; T330-K334 VanDerWaalsContact O-CG 3.23Å; T330-K334 WeakPolarHBondContact O-CG 3.34Å; T330-K334 PolarHBondContact O-N 2.91Å; L332-K334 VanDerWaalsContact C-N 3.33Å; L332-K334 PolarHBondContact O-N 3.3Å; K334-L338 PolarHBondContact O-N 3.44Å; K334-V344 HydrophobicContact CD-CG1 4.02Å; K334-V344 HydrophobicContact CD-CG2 4.18Å
335	G	98.2	Very high	97.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.4	-58	170.4	0	0	0	0	0	112.6	F306 D331 L332 G337 L338	F306-G335 VanDerWaalsContact CB-O 3.27Å; F306-G335 WeakPolarHBondContact CB-O 3.22Å; F306-G335 VanDerWaalsContact CG-O 3.28Å; F306-G335 WeakPolarHBondContact CG-O 3.48Å; D331-G335 PolarHBondContact O-N 3.49Å; L332-G335 PolarHBondContact O-N 3.37Å; G335-G337 VanDerWaalsContact C-N 3.29Å; G335-G337 PolarHBondContact O-N 2.82Å; G335-L338 WeakPolarHBondContact O-CB 3.44Å; G335-L338 PolarHBondContact O-N 3.24Å; G335-L338 VanDerWaalsContact O-N 3.1Å
336	V	98.1	Very high	97.6	Very high	30 Å²	30	43 Å²	43	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-37.2	-179.7	174.7	0	0	0	0	111.7	F293 F306 L332 L338 I349	F293-V336 HydrophobicContact CD1-CG2 4.29Å; F293-V336 HydrophobicContact CE1-CG2 3.75Å; F293-V336 HydrophobicContact CZ-CG2 4.36Å; F306-V336 HydrophobicContact CE2-CG2 4.09Å; F306-V336 HydrophobicContact CZ-CB 4.5Å; F306-V336 HydrophobicContact CZ-CG2 4.13Å; L332-V336 HydrophobicContact CD1-CG2 4.05Å; L332-V336 WeakPolarHBondContact O-CG2 3.2Å; L332-V336 PolarHBondContact O-N 2.91Å; V336-L338 PolarHBondContact O-N 3.49Å; V336-I349 HydrophobicContact CB-CG2 4.5Å; V336-I349 HydrophobicContact CG2-CD1 4.17Å; V336-I349 HydrophobicContact CG2-CG2 4.48Å
337	G	97.8	Very high	97.4	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.01	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	4.5	178	0	0	0	0	0	114.9	R333 G335 S339 V344 K345	R333-G337 WeakPolarHBondContact O-CA 3.45Å; R333-G337 PolarHBondContact O-N 3.37Å; G335-G337 VanDerWaalsContact C-N 3.29Å; G335-G337 PolarHBondContact O-N 2.82Å; G337-S339 PolarHBondContact O-N 3.28Å; G337-V344 WeakPolarHBondContact O-CG1 3.37Å; G337-K345 WeakPolarHBondContact CA-O 3.44Å; G337-K345 PolarHBondContact O-N 2.97Å
338	L	97.1	Very high	97.3	Very high	43 Å²	43	51.9 Å²	51.9	23%	0.225	28%	0.278	C	S	.	.			trans	-55.9	133.2	-172.9	-176.3	60.7	0	0	0	111.5	I304 F306 K334 G335 V336	I304-L338 HydrophobicContact CD1-CD1 4.47Å; I304-L338 HydrophobicContact CG2-CD1 3.63Å; I304-L338 HydrophobicContact CG2-CD2 4.29Å; F306-L338 HydrophobicContact CB-CB 4.35Å; F306-L338 HydrophobicContact CB-CD2 4.07Å; K334-L338 PolarHBondContact O-N 3.44Å; G335-L338 WeakPolarHBondContact O-CB 3.44Å; G335-L338 PolarHBondContact O-N 3.24Å; G335-L338 VanDerWaalsContact O-N 3.1Å; V336-L338 PolarHBondContact O-N 3.49Å
339	S	95.4	Very high	97.2	Very high	14 Å²	14	52 Å²	52	10%	0.098	28%	0.279	C	S	.	.			trans	-144	152.1	-175.2	-177	0	0	0	0	111	K162 G337 T341 A343	K162-S339 PolarHBondContact NZ-O 2.94Å; G337-S339 PolarHBondContact O-N 3.28Å; S339-T341 VanDerWaalsContact C-N 3.29Å; S339-T341 PolarHBondContact OG-N 3.26Å; S339-T341 VanDerWaalsContact OG-N 3.1Å; S339-T341 PolarHBondContact OG-OG1 2.91Å; S339-A343 WeakPolarHBondContact CB-O 3.46Å
340	N	94.3	Very high	97.2	Very high	148 Å²	148	53.3 Å²	53.3	79%	0.791	29%	0.285	S	S	*	.	S	Bend	trans	-89.8	6.2	170.8	-66.1	-20	0	0	0	112.2	P178	P178-N340 VanDerWaalsContact CB-O 3.22Å; P178-N340 WeakPolarHBondContact CB-O 3.49Å
341	T	96.1	Very high	97.1	Very high	81 Å²	81	53.2 Å²	53.2	50%	0.497	28%	0.284	S	S	.	.	S	Bend	trans	-95.3	-179.4	174.5	71.6	0	0	0	0	111.1	S339 A343	S339-T341 VanDerWaalsContact C-N 3.29Å; S339-T341 PolarHBondContact OG-N 3.26Å; S339-T341 VanDerWaalsContact OG-N 3.1Å; S339-T341 PolarHBondContact OG-OG1 2.91Å; T341-A343 PolarHBondContact O-N 3.37Å; T341-A343 PolarHBondContact OG1-N 3.08Å; T341-A343 PolarHBondContact OG1-O 2.87Å
342	K	95.4	Very high	97.1	Very high	106 Å²	106	60.3 Å²	60.3	46%	0.461	31%	0.311	S	S	.	.	S	Bend	trans	-74	-8.3	176.9	-65	-176.6	-177.1	-178.4	0	114.2	T174 W176	T174-K342 WeakPolarHBondContact CB-O 3.36Å; T174-K342 WeakPolarHBondContact O-CB 3.42Å; T174-K342 WeakPolarHBondContact O-CG 3.39Å; T174-K342 PolarHBondContact OG1-O 3.11Å; W176-K342 VanDerWaalsContact O-CE 3.31Å; W176-K342 WeakPolarHBondContact O-CE 3.41Å; W176-K342 PolarHBondContact O-NZ 3.37Å
343	A	97.3	Very high	97	Very high	36 Å²	36	64.5 Å²	64.5	30%	0.298	33%	0.327	S	S	.	.	S	Bend	trans	-127.6	130.7	-175.4	0	0	0	0	0	110.7	D159 S339 T341	D159-A343 HydrophobicContact CB-CB 4.22Å; S339-A343 WeakPolarHBondContact CB-O 3.46Å; T341-A343 PolarHBondContact O-N 3.37Å; T341-A343 PolarHBondContact OG1-N 3.08Å; T341-A343 PolarHBondContact OG1-O 2.87Å
344	V	97.4	Very high	97	Very high	21 Å²	21	61 Å²	61	13%	0.127	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-66.1	136.2	169.1	176.3	0	0	0	0	109.2	D159 V161 K334 G337 A346	D159-V344 WeakPolarHBondContact O-CG2 3.35Å; D159-V344 PolarHBondContact O-N 2.88Å; V161-V344 VanDerWaalsContact O-CG2 3.31Å; V161-V344 WeakPolarHBondContact O-CG2 3.28Å; K334-V344 HydrophobicContact CD-CG1 4.02Å; K334-V344 HydrophobicContact CD-CG2 4.18Å; G337-V344 WeakPolarHBondContact O-CG1 3.37Å; V344-A346 PolarHBondContact O-N 3.36Å
345	K	97.6	Very high	97	Very high	135 Å²	135	61.3 Å²	61.3	59%	0.587	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-66.2	130.5	178.2	-65.5	175	-177	173.4	0	109.7	G337 T347	G337-K345 WeakPolarHBondContact CA-O 3.44Å; G337-K345 PolarHBondContact O-N 2.97Å; K345-T347 PolarHBondContact O-N 2.89Å
346	A	96.3	Very high	97	Very high	109 Å²	109	65.6 Å²	65.6	90%	0.901	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-63.5	135.9	176	0	0	0	0	0	110.5	V344	V344-A346 PolarHBondContact O-N 3.36Å
347	T	95.8	Very high	97	Very high	39 Å²	39	64.2 Å²	64.2	24%	0.239	32%	0.324	C	S	.	.			trans	-137.8	146.8	175.9	175.6	0	0	0	0	110.2	R333 K345 I349	R333-T347 HydrophobicContact CB-CG2 4.05Å; R333-T347 HydrophobicContact CG-CG2 4Å; K345-T347 PolarHBondContact O-N 2.89Å; T347-I349 HydrophobicContact CG2-CG2 3.76Å; T347-I349 VanDerWaalsContact OG1-CG2 3.29Å; T347-I349 WeakPolarHBondContact OG1-CG2 3.39Å; T347-I349 PolarHBondContact OG1-N 2.84Å; T347-I349 VanDerWaalsContact OG1-N 3.13Å
348	K	96	Very high	97	Very high	197 Å²	197	64.4 Å²	64.4	86%	0.857	33%	0.325	S	S	*	.			trans	-95	2.2	175.1	-64.8	-176.7	179.6	179.6	0	112.5	M350	K348-M350 PolarHBondContact O-N 2.88Å
349	I	97.3	Very high	97.1	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.01	31%	0.314	C	S	.	.			trans	-59.5	137.2	180	-162.4	172.1	0	0	0	110.9	T286 E288 F293 L332 R333 V336 T347	T286-I349 HydrophobicContact CG2-CD1 4.08Å; T286-I349 HydrophobicContact CG2-CG1 4.34Å; E288-I349 HydrophobicContact CG-CD1 4Å; E288-I349 HydrophobicContact CG-CG1 4.06Å; F293-I349 HydrophobicContact CD2-CD1 4.17Å; F293-I349 HydrophobicContact CE1-CD1 4.43Å; F293-I349 HydrophobicContact CE2-CD1 3.71Å; F293-I349 HydrophobicContact CZ-CD1 3.85Å; L332-I349 HydrophobicContact CD1-CD1 4.22Å; L332-I349 HydrophobicContact CD2-CD1 4.04Å; L332-I349 HydrophobicContact CD2-CG1 4.05Å; L332-I349 HydrophobicContact CD2-CG2 4.31Å; L332-I349 HydrophobicContact CG-CD1 4.25Å; L332-I349 HydrophobicContact CG-CG2 4.24Å; R333-I349 HydrophobicContact CG-CG2 4Å; R333-I349 PolarHBondContact NE-O 3.24Å; V336-I349 HydrophobicContact CB-CG2 4.5Å; V336-I349 HydrophobicContact CG2-CD1 4.17Å; V336-I349 HydrophobicContact CG2-CG2 4.48Å; T347-I349 HydrophobicContact CG2-CG2 3.76Å; T347-I349 VanDerWaalsContact OG1-CG2 3.29Å; T347-I349 WeakPolarHBondContact OG1-CG2 3.39Å; T347-I349 PolarHBondContact OG1-N 2.84Å; T347-I349 VanDerWaalsContact OG1-N 3.13Å
350	M	97.3	Very high	97.3	Very high	65 Å²	65	63 Å²	63	32%	0.32	32%	0.316	S	S	.	.			trans	-132.5	140	173.8	-65.1	-66.5	-68.7	0	0	109.5	T286 T287 L329 R333 K348	T286-M350 CarbonylContact C-O 3.6Å; T286-M350 WeakPolarHBondContact CA-O 3.4Å; T286-M350 WeakPolarHBondContact CB-O 3.32Å; T287-M350 HydrophobicContact CG2-CB 3.82Å; T287-M350 PolarHBondContact N-O 3.31Å; T287-M350 PolarHBondContact OG1-N 2.8Å; T287-M350 VanDerWaalsContact OG1-N 3.09Å; L329-M350 HydrophobicContact CD1-CE 3.81Å; L329-M350 HydrophobicContact CD1-SD 3.47Å; L329-M350 WeakPolarHBondContact CD1-SD 3.33Å; L329-M350 HydrophobicContact CD2-CE 3.95Å; L329-M350 HydrophobicContact CD2-SD 4.41Å; R333-M350 PolarHBondContact NH2-SD 3.08Å; K348-M350 PolarHBondContact O-N 2.88Å
351	P	97.6	Very high	97.4	Very high	6 Å²	6	56.2 Å²	56.2	4%	0.039	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	141.6	164.8	32.7	-32.1	0	0	0	109.2	F266 L329 L332	F266-P351 HydrophobicContact CB-CG 4.48Å; F266-P351 HydrophobicContact CD1-CB 3.73Å; F266-P351 HydrophobicContact CD1-CG 3.62Å; F266-P351 HydrophobicContact CD2-CG 4.24Å; F266-P351 HydrophobicContact CE1-CB 3.66Å; F266-P351 HydrophobicContact CE1-CG 3.84Å; F266-P351 HydrophobicContact CE2-CG 4.42Å; F266-P351 HydrophobicContact CG-CB 4.45Å; F266-P351 HydrophobicContact CG-CG 3.84Å; F266-P351 HydrophobicContact CZ-CB 4.34Å; F266-P351 HydrophobicContact CZ-CG 4.24Å; F266-P351 WeakPolarHBondContact CZ-O 3.26Å; L329-P351 HydrophobicContact CB-CG 4.14Å; L329-P351 VanDerWaalsContact CD1-CD 3.44Å; L329-P351 HydrophobicContact CD1-CG 4.28Å; L332-P351 HydrophobicContact CD2-CB 4.44Å
352	R	97.9	Very high	97.5	Very high	151 Å²	151	59.2 Å²	59.2	57%	0.57	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	-35.8	175.2	-72.5	-174.3	171.1	-176.2	0.8	111.7	S263 E285 T286 T287	S263-R352 WeakPolarHBondContact CA-O 3.48Å; S263-R352 WeakPolarHBondContact CB-O 3.42Å; E285-R352 PolarHBondContact O-N 2.65Å; T286-R352 WeakPolarHBondContact O-CD 3.37Å; T287-R352 HydrophobicContact CG2-CG 4.14Å
353	R	98.2	Very high	97.7	Very high	88 Å²	88	54.3 Å²	54.3	33%	0.332	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	129.6	-178	-164.5	168.4	67.1	116.3	-2.1	111.4	N262 L284 E285 V355	N262-R353 CarbonylContact O-C 3.58Å; N262-R353 VanDerWaalsContact O-CA 3.22Å; N262-R353 WeakPolarHBondContact O-CA 3.24Å; N262-R353 WeakPolarHBondContact O-CG 3.35Å; L284-R353 WeakPolarHBondContact CA-O 3.42Å; E285-R353 HydrophobicContact CB-CB 4.14Å; E285-R353 VanDerWaalsContact CD-NH2 3.32Å; E285-R353 PolarHBondContact N-O 2.96Å; E285-R353 PolarHBondContact O-N 3.14Å; E285-R353 IonicContact OE1-CZ 3.49Å; E285-R353 IonicContact OE1-NE 2.78Å; E285-R353 IonicContact OE1-NH2 3.37Å; E285-R353 PolarHBondContact OE1-NH2 2.63Å; E285-R353 IonicContact OE2-CZ 2.78Å; E285-R353 IonicContact OE2-NE 2.68Å; E285-R353 PolarHBondContact OE2-NE 3.29Å; E285-R353 IonicContact OE2-NH2 3.56Å; E285-R353 PolarHBondContact OE2-NH2 3.39Å; R353-V355 PolarHBondContact O-N 2.93Å
354	V	98.3	Very high	97.7	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	102.2	166.1	-170.5	0	0	0	0	107.3	L260 G261 N262 F266 V282 L284 L328 I370	L260-V354 HydrophobicContact CB-CG1 4.43Å; L260-V354 HydrophobicContact CD1-CG1 3.7Å; G261-V354 CarbonylContact C-O 3.58Å; G261-V354 VanDerWaalsContact CA-O 3.3Å; G261-V354 WeakPolarHBondContact CA-O 3.28Å; G261-V354 PolarHBondContact N-O 2.9Å; N262-V354 HydrophobicContact CB-CB 4.35Å; N262-V354 PolarHBondContact N-O 2.82Å; N262-V354 PolarHBondContact O-N 2.92Å; F266-V354 HydrophobicContact CD1-CG2 3.76Å; F266-V354 HydrophobicContact CE1-CG2 4.15Å; V282-V354 HydrophobicContact CG1-CG1 3.72Å; L284-V354 HydrophobicContact CD2-CB 4.23Å; L284-V354 HydrophobicContact CD2-CG1 4.19Å; L284-V354 HydrophobicContact CD2-CG2 3.92Å; L328-V354 HydrophobicContact CD1-CG1 4.17Å; L328-V354 HydrophobicContact CD1-CG2 3.7Å; V354-I370 HydrophobicContact CB-CD1 3.89Å; V354-I370 HydrophobicContact CG1-CD1 3.81Å; V354-I370 HydrophobicContact CG2-CD1 4.12Å
355	V	97.9	Very high	97.7	Very high	16 Å²	16	54 Å²	54	10%	0.097	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-58.8	-170.4	-178.1	0	0	0	0	110.2	L260 G261 V283 E285 R353	L260-V355 PolarHBondContact N-O 2.98Å; G261-V355 PolarHBondContact N-O 2.76Å; V283-V355 HydrophobicContact CB-CB 4.31Å; V283-V355 HydrophobicContact CG1-CB 4.22Å; V283-V355 HydrophobicContact CG1-CG2 4.41Å; V283-V355 WeakPolarHBondContact O-CB 3.2Å; V283-V355 PolarHBondContact O-N 2.62Å; E285-V355 HydrophobicContact CB-CG2 4.46Å; E285-V355 HydrophobicContact CG-CG2 3.75Å; R353-V355 PolarHBondContact O-N 2.93Å
356	R	97.8	Very high	97.6	Very high	90 Å²	90	47.6 Å²	47.6	34%	0.34	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	156.9	-175.2	58	-178	153.1	82.3	4.1	112.3	L258 V283 V358	L258-R356 CarbonylContact O-C 3.54Å; L258-R356 WeakPolarHBondContact O-CA 3.39Å; L258-R356 WeakPolarHBondContact O-CB 3.27Å; V283-R356 HydrophobicContact CB-CG 4.03Å; V283-R356 HydrophobicContact CG2-CG 4.09Å; V283-R356 PolarHBondContact N-O 3.21Å; R356-V358 HydrophobicContact CG-CG2 4.41Å
357	L	98.2	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	144.1	165.7	-165.8	71.8	0	0	0	109	S257 L258 L260 L268 L270 V280 S281 V282 L359 I368	S257-L357 CarbonylContact C-O 3.51Å; S257-L357 WeakPolarHBondContact CA-O 3.19Å; S257-L357 WeakPolarHBondContact CB-O 3.21Å; L258-L357 HydrophobicContact CB-CB 4.33Å; L258-L357 PolarHBondContact N-O 2.94Å; L258-L357 PolarHBondContact O-N 3.04Å; L260-L357 HydrophobicContact CD1-CB 4.05Å; L268-L357 HydrophobicContact CD2-CD1 3.98Å; L270-L357 HydrophobicContact CD1-CD2 4.49Å; V280-L357 HydrophobicContact CG1-CD1 3.39Å; V280-L357 HydrophobicContact CG1-CD2 4.39Å; V280-L357 HydrophobicContact CG1-CG 4.03Å; S281-L357 CarbonylContact O-C 3.58Å; S281-L357 WeakPolarHBondContact O-CA 3.5Å; V282-L357 HydrophobicContact CG2-CD1 3.79Å; L357-L359 HydrophobicContact CD2-CD2 4.28Å; L357-L359 HydrophobicContact CG-CD2 4.48Å; L357-I368 HydrophobicContact CD2-CD1 3.94Å; L357-I368 HydrophobicContact CD2-CG2 4.26Å
358	V	98.7	Very high	97.6	Very high	6 Å²	6	43.2 Å²	43.2	4%	0.036	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.9	174.8	-171.5	0	0	0	0	109.2	E254 V256 V280 S281 R356	E254-V358 WeakPolarHBondContact O-CG1 3.1Å; V256-V358 CarbonylContact O-C 3.56Å; V256-V358 WeakPolarHBondContact O-CA 3.29Å; V280-V358 CarbonylContact C-O 3.46Å; V280-V358 WeakPolarHBondContact CA-O 3.48Å; S281-V358 PolarHBondContact N-O 3.46Å; S281-V358 PolarHBondContact O-N 2.86Å; R356-V358 HydrophobicContact CG-CG2 4.41Å
359	L	98.6	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.7	-179.1	-58	177.8	0	0	0	110.5	W224 F247 G255 V256 V280 L357 V365	W224-L359 HydrophobicContact CH2-CD1 3.68Å; W224-L359 HydrophobicContact CZ3-CD1 3.88Å; W224-L359 HydrophobicContact CZ3-CG 4.46Å; F247-L359 HydrophobicContact CB-CD1 4.43Å; F247-L359 HydrophobicContact CD1-CD1 3.78Å; F247-L359 HydrophobicContact CD2-CB 3.96Å; F247-L359 HydrophobicContact CD2-CD1 4.47Å; F247-L359 HydrophobicContact CE1-CD1 4.1Å; F247-L359 HydrophobicContact CE2-CB 4.09Å; F247-L359 HydrophobicContact CG-CB 4.27Å; F247-L359 HydrophobicContact CG-CD1 3.98Å; F247-L359 HydrophobicContact CZ-CB 4.5Å; G255-L359 WeakPolarHBondContact CA-O 3.14Å; V256-L359 PolarHBondContact N-O 2.65Å; V256-L359 PolarHBondContact O-N 3.27Å; V280-L359 HydrophobicContact CB-CD2 4.19Å; V280-L359 HydrophobicContact CG1-CD2 3.98Å; V280-L359 HydrophobicContact CG2-CD2 3.71Å; L357-L359 HydrophobicContact CD2-CD2 4.28Å; L357-L359 HydrophobicContact CG-CD2 4.48Å; L359-V365 HydrophobicContact CD1-CB 4.35Å; L359-V365 HydrophobicContact CD1-CG1 3.78Å
360	H	98.6	Very high	97.7	Very high	27 Å²	27	34.9 Å²	34.9	13%	0.125	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	154.3	172.2	-70.3	86.8	0	0	0	110.5	S253 G255 F274 G278 S279	S253-H360 PolarHBondContact O-NE2 3.04Å; G255-H360 PolarHBondContact N-NE2 3.27Å; F274-H360 WeakPolarHBondContact CE1-O 3.4Å; G278-H360 VanDerWaalsContact CA-O 3.23Å; G278-H360 WeakPolarHBondContact CA-O 3.47Å; S279-H360 PolarHBondContact N-O 3.13Å; S279-H360 PolarHBondContact O-N 2.95Å
361	G	98.1	Very high	97.8	Very high	5 Å²	5	32.2 Å²	32.2	5%	0.052	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.5	-160.2	-173.5	0	0	0	0	0	112.7	S248 A249 N277	S248-G361 CarbonylContact C-O 3.54Å; S248-G361 WeakPolarHBondContact CA-O 3.3Å; A249-G361 PolarHBondContact N-O 3.15Å; A249-G361 WeakPolarHBondContact O-CA 3.44Å; A249-G361 PolarHBondContact O-N 3.44Å; N277-G361 WeakPolarHBondContact O-CA 3.29Å
362	R	98.4	Very high	97.8	Very high	144 Å²	144	35 Å²	35	54%	0.543	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.9	177.8	-64.3	-178.9	-66.6	175.9	0	110.1	F247 S248 A275 S276	F247-R362 WeakPolarHBondContact O-CA 3.47Å; S248-R362 WeakPolarHBondContact OG-CG 3.36Å; A275-R362 HydrophobicContact CB-CB 4.47Å; A275-R362 PolarHBondContact N-O 3Å; S276-R362 PolarHBondContact N-O 3.39Å; S276-R362 PolarHBondContact OG-N 2.77Å
363	G	98	Very high	97.9	Very high	3 Å²	3	29 Å²	29	3%	0.031	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.1	-161.3	-179.5	0	0	0	0	0	114	S246 F247 K273	S246-G363 WeakPolarHBondContact CA-O 3.27Å; F247-G363 WeakPolarHBondContact CD1-O 3.33Å; F247-G363 PolarHBondContact N-O 3.34Å; F247-G363 PolarHBondContact O-N 3.13Å; F247-G363 VanDerWaalsContact O-N 3.07Å; K273-G363 CarbonylContact O-C 3.54Å; K273-G363 VanDerWaalsContact O-CA 3.22Å; K273-G363 WeakPolarHBondContact O-CA 3.19Å
364	F	98.1	Very high	97.9	Very high	50 Å²	50	26.2 Å²	26.2	22%	0.219	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.3	179.7	-52	-88.2	0	0	0	109.6	V235 V244 R245 K273 W321	V235-F364 HydrophobicContact CG2-CD1 4.01Å; V235-F364 HydrophobicContact CG2-CE1 3.88Å; V244-F364 HydrophobicContact CG2-CB 4.29Å; V244-F364 HydrophobicContact CG2-CD1 3.89Å; V244-F364 HydrophobicContact CG2-CG 4.46Å; R245-F364 CarbonylContact O-C 3.42Å; R245-F364 WeakPolarHBondContact O-CA 3.29Å; K273-F364 HydrophobicContact CB-CD2 4.49Å; K273-F364 HydrophobicContact CD-CD2 4.35Å; K273-F364 HydrophobicContact CG-CD2 4.49Å; K273-F364 PolarHBondContact N-O 3.05Å; K273-F364 PolarHBondContact O-N 2.73Å; W321-F364 HydrophobicContact CH2-CB 3.59Å; W321-F364 HydrophobicContact CZ2-CB 3.62Å; W321-F364 HydrophobicContact CZ2-CG 4.38Å
365	V	97.4	Very high	97.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146	174.1	66.9	0	0	0	0	109.9	W224 R245 F247 L270 D271 L272 L359 I368	W224-V365 HydrophobicContact CH2-CG1 4.26Å; W224-V365 HydrophobicContact CZ2-CG1 4.46Å; R245-V365 HydrophobicContact CB-CG1 3.76Å; R245-V365 HydrophobicContact CG-CG1 4.47Å; R245-V365 PolarHBondContact N-O 2.93Å; R245-V365 PolarHBondContact O-N 3.42Å; F247-V365 HydrophobicContact CD1-CG1 4.28Å; F247-V365 HydrophobicContact CE1-CB 4.38Å; L270-V365 HydrophobicContact CB-CG2 4.25Å; L270-V365 HydrophobicContact CD1-CG2 3.73Å; D271-V365 VanDerWaalsContact O-CA 3.3Å; D271-V365 WeakPolarHBondContact O-CA 3.38Å; L272-V365 HydrophobicContact CD1-CB 4.45Å; L359-V365 HydrophobicContact CD1-CB 4.35Å; L359-V365 HydrophobicContact CD1-CG1 3.78Å; V365-I368 HydrophobicContact CG1-CD1 4.33Å; V365-I368 HydrophobicContact CG2-CD1 3.83Å; V365-I368 HydrophobicContact CG2-CG1 3.77Å
366	D	95.5	Very high	97.9	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.011	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	166.4	175.9	-168.5	21	0	0	0	110.7	T211 V244 D271 W321 I368	T211-D366 VanDerWaalsContact C-OD1 3.28Å; T211-D366 WeakPolarHBondContact CA-OD1 3.4Å; V244-D366 HydrophobicContact CB-CB 4.32Å; V244-D366 HydrophobicContact CG1-CB 3.96Å; D271-D366 HydrophobicContact CB-CB 4.17Å; D271-D366 PolarHBondContact N-O 3.45Å; D271-D366 PolarHBondContact O-N 2.87Å; W321-D366 HydrophobicContact CH2-CB 4.26Å; W321-D366 HydrophobicContact CZ3-CB 4.38Å; D366-I368 PolarHBondContact O-N 3.24Å
367	N	94.9	Very high	98	Very high	55 Å²	55	25.9 Å²	25.9	29%	0.294	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	49.5	50.1	173.7	-59	-52.5	0	0	0	113.9	D210 D271 T369	D210-N367 PolarHBondContact O-N 3.25Å; D271-N367 PolarHBondContact OD2-ND2 2.9Å; N367-T369 PolarHBondContact O-N 3.46Å
368	I	96.9	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	117.4	178.5	-56.6	170.8	0	0	0	108.6	Y209 D210 W224 L258 L260 L268 L270 L357 V365 D366	Y209-I368 PolarHBondContact N-O 3.3Å; D210-I368 HydrophobicContact CB-CD1 4.45Å; D210-I368 PolarHBondContact O-N 3.07Å; W224-I368 HydrophobicContact CH2-CD1 3.92Å; W224-I368 HydrophobicContact CZ2-CD1 3.7Å; L258-I368 HydrophobicContact CD2-CB 4.44Å; L258-I368 HydrophobicContact CD2-CD1 3.63Å; L258-I368 HydrophobicContact CD2-CG2 4.18Å; L260-I368 HydrophobicContact CD2-CG2 4.45Å; L268-I368 HydrophobicContact CD1-CG2 4.45Å; L270-I368 HydrophobicContact CB-CG1 4.13Å; L357-I368 HydrophobicContact CD2-CD1 3.94Å; L357-I368 HydrophobicContact CD2-CG2 4.26Å; V365-I368 HydrophobicContact CG1-CD1 4.33Å; V365-I368 HydrophobicContact CG2-CD1 3.83Å; V365-I368 HydrophobicContact CG2-CG1 3.77Å; D366-I368 PolarHBondContact O-N 3.24Å
369	T	97.3	Very high	98	Very high	24 Å²	24	26 Å²	26	15%	0.147	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	151.7	-176.2	62	0	0	0	0	112.4	V206 E207 V208 S269 N367	V206-T369 HydrophobicContact CG1-CG2 4.41Å; E207-T369 CarbonylContact O-C 3.48Å; E207-T369 WeakPolarHBondContact O-CA 3.31Å; E207-T369 WeakPolarHBondContact O-CB 3.25Å; V208-T369 HydrophobicContact CB-CG2 4.31Å; V208-T369 HydrophobicContact CG1-CG2 4.25Å; V208-T369 HydrophobicContact CG2-CG2 3.92Å; S269-T369 WeakPolarHBondContact CB-OG1 3.44Å; S269-T369 PolarHBondContact N-O 2.91Å; S269-T369 PolarHBondContact O-N 3.06Å; S269-T369 PolarHBondContact O-OG1 3.48Å; N367-T369 PolarHBondContact O-N 3.46Å
370	I	98.4	Very high	98.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.1	164.2	-62.1	176.6	0	0	0	108.2	E207 Y209 L260 N262 D265 I267 L268 V354	E207-I370 PolarHBondContact N-O 3.18Å; E207-I370 PolarHBondContact O-N 3.29Å; Y209-I370 HydrophobicContact CD2-CG1 4.4Å; Y209-I370 HydrophobicContact CE2-CB 3.91Å; Y209-I370 HydrophobicContact CE2-CD1 3.77Å; Y209-I370 HydrophobicContact CE2-CG1 3.69Å; L260-I370 HydrophobicContact CB-CD1 4.3Å; L260-I370 HydrophobicContact CD1-CD1 4.17Å; N262-I370 HydrophobicContact CB-CD1 3.67Å; N262-I370 HydrophobicContact CB-CG2 4.4Å; D265-I370 HydrophobicContact CB-CG2 3.63Å; D265-I370 VanDerWaalsContact O-CG2 3.27Å; D265-I370 WeakPolarHBondContact O-CG2 3.47Å; I267-I370 CarbonylContact O-C 3.46Å; I267-I370 VanDerWaalsContact O-CA 3.31Å; I267-I370 WeakPolarHBondContact O-CA 3.34Å; L268-I370 HydrophobicContact CD1-CG1 4.35Å; V354-I370 HydrophobicContact CB-CD1 3.89Å; V354-I370 HydrophobicContact CG1-CD1 3.81Å; V354-I370 HydrophobicContact CG2-CD1 4.12Å
371	S	98.5	Very high	98.1	Very high	9 Å²	9	28.2 Å²	28.2	6%	0.063	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	158.9	-179.4	59.4	0	0	0	0	113	H205 I267	H205-S371 CarbonylContact O-C 3.49Å; H205-S371 WeakPolarHBondContact O-CA 3.5Å; H205-S371 WeakPolarHBondContact O-CB 3.45Å; I267-S371 VanDerWaalsContact CB-O 3.24Å; I267-S371 WeakPolarHBondContact CB-O 3.37Å; I267-S371 WeakPolarHBondContact CG1-O 3.5Å; I267-S371 PolarHBondContact N-O 3.38Å; I267-S371 PolarHBondContact O-N 3.3Å; I267-S371 PolarHBondContact O-OG 3.14Å
372	T	98.6	Very high	98.1	Very high	66 Å²	66	28 Å²	28	41%	0.405	15%	0.152	S	C	.	.	S	Bend	trans	-63.9	-43	175.2	-45.5	0	0	0	0	111.2	H205 D265 I267	H205-T372 PolarHBondContact N-OG1 3.47Å; H205-T372 VanDerWaalsContact N-OG1 3.16Å; H205-T372 PolarHBondContact O-N 2.92Å; D265-T372 WeakPolarHBondContact OD1-CA 3.34Å; D265-T372 VanDerWaalsContact OD1-CB 3.27Å; D265-T372 WeakPolarHBondContact OD1-CB 3.14Å; D265-T372 PolarHBondContact OD1-N 2.88Å; D265-T372 PolarHBondContact OD1-OG1 3.22Å; I267-T372 WeakPolarHBondContact CG1-O 3.41Å
373	T	98.6	Very high	98.1	Very high	25 Å²	25	21.1 Å²	21.1	15%	0.153	13%	0.126	C	C	.	.			trans	-149.4	147.7	-178.6	64.1	0	0	0	0	109.9	P204 H375	P204-T373 WeakPolarHBondContact CG-O 3.28Å; T373-H375 WeakPolarHBondContact CB-NE2 3.47Å; T373-H375 WeakPolarHBondContact CG2-NE2 3.27Å
374	A	98.6	Very high	98.2	Very high	28 Å²	28	24 Å²	24	23%	0.231	14%	0.141	C	C	.	.			trans	-128.3	58.5	169.4	0	0	0	0	0	111.1	I267 T325 M376 A377 A378	I267-A374 HydrophobicContact CG2-CB 3.64Å; T325-A374 HydrophobicContact CG2-CB 3.64Å; A374-M376 VanDerWaalsContact C-N 3.34Å; A374-M376 PolarHBondContact O-N 2.87Å; A374-A377 HydrophobicContact CB-CB 4.17Å; A374-A377 WeakPolarHBondContact O-CB 3.42Å; A374-A377 PolarHBondContact O-N 2.87Å; A374-A378 PolarHBondContact O-N 2.97Å
375	H	98.8	Very high	98.2	Very high	12 Å²	12	22.2 Å²	22.2	6%	0.056	13%	0.133	C	C	.	.	H	α-helix	trans	-56.7	-43.5	-173.1	-68.1	-55.1	0	0	0	113.9	H194 K197 N198 E201 T373 A377 A378 F379	H194-H375 HydrophobicContact CB-CB 4.14Å; H194-H375 WeakPolarHBondContact CB-O 3.19Å; H194-H375 AromaticContact CE1-ND1 3.91Å; H194-H375 AromaticContact CG-ND1 3.82Å; H194-H375 AromaticContact ND1-CG 3.97Å; H194-H375 AromaticContact ND1-ND1 3.07Å; H194-H375 PolarHBondContact ND1-ND1 3.06Å; H194-H375 WeakPolarHBondContact O-CB 3.35Å; K197-H375 VanDerWaalsContact CB-CE1 3.44Å; K197-H375 WeakPolarHBondContact CB-CE1 3.44Å; N198-H375 HydrophobicContact CB-CB 3.81Å; E201-H375 IonicContact OE2-CE1 3.23Å; E201-H375 IonicContact OE2-NE2 2.78Å; E201-H375 PolarHBondContact OE2-NE2 3.49Å; T373-H375 WeakPolarHBondContact CB-NE2 3.47Å; T373-H375 WeakPolarHBondContact CG2-NE2 3.27Å; H375-A377 VanDerWaalsContact C-N 3.31Å; H375-A377 PolarHBondContact O-N 2.88Å; H375-A378 WeakPolarHBondContact O-CB 3.5Å; H375-A378 PolarHBondContact O-N 3.34Å; H375-F379 PolarHBondContact O-N 3.28Å
376	M	98.8	Very high	98.3	Very high	46 Å²	46	22.2 Å²	22.2	23%	0.227	13%	0.133	C	C	.	.	H	α-helix	trans	-67.2	-31.9	-179	-66.3	-50.2	-58.1	0	0	113.1	N198 A374 F379 F380 L434	N198-M376 HydrophobicContact CB-SD 3.98Å; N198-M376 WeakPolarHBondContact OD1-CG 3.36Å; A374-M376 VanDerWaalsContact C-N 3.34Å; A374-M376 PolarHBondContact O-N 2.87Å; M376-F379 HydrophobicContact CE-CB 4.45Å; M376-F379 HydrophobicContact CE-CD1 3.5Å; M376-F379 HydrophobicContact CE-CE1 4.15Å; M376-F379 HydrophobicContact CE-CG 4.27Å; M376-F379 PolarHBondContact O-N 3.48Å; M376-F380 HydrophobicContact CB-CD2 4.49Å; M376-F380 HydrophobicContact CE-CD2 4.14Å; M376-F380 HydrophobicContact CE-CE2 3.53Å; M376-F380 HydrophobicContact CE-CZ 4.07Å; M376-F380 WeakPolarHBondContact O-CD2 3.35Å; M376-F380 PolarHBondContact O-N 3.16Å; M376-L434 HydrophobicContact CE-CD1 3.3Å
377	A	98.8	Very high	98.5	Very high	41 Å²	41	24.3 Å²	24.3	34%	0.339	15%	0.146	S	C	.	.	H	α-helix	trans	-63.6	-43.9	173.8	0	0	0	0	0	111.3	T325 A374 H375 A381	T325-A377 HydrophobicContact CG2-CB 4.08Å; A374-A377 HydrophobicContact CB-CB 4.17Å; A374-A377 WeakPolarHBondContact O-CB 3.42Å; A374-A377 PolarHBondContact O-N 2.87Å; H375-A377 VanDerWaalsContact C-N 3.31Å; H375-A377 PolarHBondContact O-N 2.88Å; A377-A381 WeakPolarHBondContact O-CB 3.37Å; A377-A381 PolarHBondContact O-N 3.31Å
378	A	98.9	Very high	98.6	Very high	8 Å²	8	28.2 Å²	28.2	7%	0.066	16%	0.156	C	C	.	.	H	α-helix	trans	-64.2	-41.1	174.8	0	0	0	0	0	112.7	Y190 H194 A374 H375 A382	Y190-A378 HydrophobicContact CE1-CB 3.65Å; Y190-A378 HydrophobicContact CE2-CB 4.41Å; Y190-A378 WeakPolarHBondContact OH-CB 3.32Å; H194-A378 HydrophobicContact CB-CB 3.94Å; H194-A378 VanDerWaalsContact CG-CB 3.49Å; A374-A378 PolarHBondContact O-N 2.97Å; H375-A378 WeakPolarHBondContact O-CB 3.5Å; H375-A378 PolarHBondContact O-N 3.34Å; A378-A382 PolarHBondContact O-N 3.33Å; A378-A382 VanDerWaalsContact O-N 3.14Å
379	F	98.9	Very high	98.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.8	-45.9	176.7	171.4	-105.3	0	0	0	112.8	G191 Y195 H375 M376 A382 S383 T427 R430 A431 L434	G191-F379 WeakPolarHBondContact O-CD2 3.32Å; Y195-F379 HydrophobicContact CD2-CD1 4.14Å; Y195-F379 AromaticContact CD2-CD2 3.94Å; Y195-F379 HydrophobicContact CD2-CD2 3.94Å; Y195-F379 AromaticContact CD2-CE1 3.96Å; Y195-F379 HydrophobicContact CD2-CE1 3.96Å; Y195-F379 AromaticContact CD2-CE2 3.74Å; Y195-F379 HydrophobicContact CD2-CE2 3.74Å; Y195-F379 HydrophobicContact CD2-CG 4.1Å; Y195-F379 AromaticContact CD2-CZ 3.74Å; Y195-F379 HydrophobicContact CD2-CZ 3.74Å; Y195-F379 HydrophobicContact CE2-CE1 4.42Å; Y195-F379 HydrophobicContact CE2-CZ 4.24Å; Y195-F379 HydrophobicContact CG-CD2 4.22Å; Y195-F379 HydrophobicContact CG-CE2 4.16Å; H375-F379 PolarHBondContact O-N 3.28Å; M376-F379 HydrophobicContact CE-CB 4.45Å; M376-F379 HydrophobicContact CE-CD1 3.5Å; M376-F379 HydrophobicContact CE-CE1 4.15Å; M376-F379 HydrophobicContact CE-CG 4.27Å; M376-F379 PolarHBondContact O-N 3.48Å; F379-A382 PolarHBondContact O-N 3.47Å; F379-S383 PolarHBondContact O-N 3.17Å; F379-S383 PolarHBondContact O-OG 3.01Å; F379-T427 HydrophobicContact CD2-CG2 4.4Å; F379-T427 HydrophobicContact CE2-CG2 3.87Å; F379-T427 WeakPolarHBondContact CZ-O 3.44Å; F379-R430 HydrophobicContact CE2-CB 4.09Å; F379-R430 HydrophobicContact CZ-CB 3.67Å; F379-A431 HydrophobicContact CE1-CB 3.95Å; F379-A431 HydrophobicContact CZ-CB 3.88Å; F379-L434 HydrophobicContact CD1-CD1 4.41Å; F379-L434 HydrophobicContact CE1-CD1 3.9Å
380	F	98.9	Very high	98.8	Very high	53 Å²	53	31.4 Å²	31.4	23%	0.232	17%	0.172	C	C	.	.	H	α-helix	trans	-71.8	-36.1	178.5	-77.2	-62.3	0	0	0	112.2	M376 A382 S383 D384 A431 L434 T435	M376-F380 HydrophobicContact CB-CD2 4.49Å; M376-F380 HydrophobicContact CE-CD2 4.14Å; M376-F380 HydrophobicContact CE-CE2 3.53Å; M376-F380 HydrophobicContact CE-CZ 4.07Å; M376-F380 WeakPolarHBondContact O-CD2 3.35Å; M376-F380 PolarHBondContact O-N 3.16Å; F380-A382 VanDerWaalsContact C-N 3.27Å; F380-A382 PolarHBondContact O-N 2.79Å; F380-S383 PolarHBondContact O-N 2.86Å; F380-S383 VanDerWaalsContact O-N 3.14Å; F380-D384 WeakPolarHBondContact O-CB 3.36Å; F380-D384 PolarHBondContact O-N 3.44Å; F380-A431 HydrophobicContact CE1-CB 4.33Å; F380-L434 HydrophobicContact CZ-CB 4.45Å; F380-L434 HydrophobicContact CZ-CD1 4.16Å; F380-T435 HydrophobicContact CE1-CG2 3.55Å; F380-T435 HydrophobicContact CZ-CG2 3.6Å
381	A	98.9	Very high	98.8	Very high	22 Å²	22	33.3 Å²	33.3	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-55.9	-43.8	171.5	0	0	0	0	0	111.8	V170 A377 W385	V170-A381 VanDerWaalsContact CG1-C 3.47Å; V170-A381 HydrophobicContact CG1-CB 4.12Å; V170-A381 VanDerWaalsContact CG1-O 3.32Å; V170-A381 WeakPolarHBondContact CG1-O 3.4Å; A377-A381 WeakPolarHBondContact O-CB 3.37Å; A377-A381 PolarHBondContact O-N 3.31Å; A381-W385 VanDerWaalsContact O-CB 3.27Å; A381-W385 WeakPolarHBondContact O-CB 3.3Å; A381-W385 PolarHBondContact O-N 2.94Å
382	A	98.9	Very high	98.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-46.5	174.4	0	0	0	0	0	112.5	V170 I187 Y190 A378 F379 F380 W385 L386	V170-A382 HydrophobicContact CG1-CB 4.41Å; I187-A382 HydrophobicContact CG2-CB 3.92Å; I187-A382 WeakPolarHBondContact O-CB 3.34Å; Y190-A382 HydrophobicContact CD1-CB 4.49Å; A378-A382 PolarHBondContact O-N 3.33Å; A378-A382 VanDerWaalsContact O-N 3.14Å; F379-A382 PolarHBondContact O-N 3.47Å; F380-A382 VanDerWaalsContact C-N 3.27Å; F380-A382 PolarHBondContact O-N 2.79Å; A382-W385 PolarHBondContact O-N 3.48Å; A382-L386 VanDerWaalsContact O-CG 3.29Å; A382-L386 WeakPolarHBondContact O-CG 3.12Å; A382-L386 PolarHBondContact O-N 3.42Å
383	S	98.9	Very high	98.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-46.5	-179.6	-55.1	0	0	0	0	112.1	F379 F380 L386 V387	F379-S383 PolarHBondContact O-N 3.17Å; F379-S383 PolarHBondContact O-OG 3.01Å; F380-S383 PolarHBondContact O-N 2.86Å; F380-S383 VanDerWaalsContact O-N 3.14Å; S383-L386 WeakPolarHBondContact O-CB 3.28Å; S383-L386 PolarHBondContact O-N 3.37Å; S383-V387 PolarHBondContact O-N 2.97Å
384	D	98.9	Very high	98.7	Very high	63 Å²	63	44.8 Å²	44.8	34%	0.337	22%	0.221	S	C	.	.	H	α-helix	trans	-68.9	-36.9	-179.8	-66.3	-16	0	0	0	111.8	F380 L386 V387 R388 Y440	F380-D384 WeakPolarHBondContact O-CB 3.36Å; F380-D384 PolarHBondContact O-N 3.44Å; D384-L386 VanDerWaalsContact C-N 3.33Å; D384-V387 PolarHBondContact O-N 3.32Å; D384-R388 WeakPolarHBondContact O-CB 3.27Å; D384-R388 WeakPolarHBondContact O-CG 3.35Å; D384-R388 PolarHBondContact O-N 2.68Å; D384-R388 PolarHBondContact O-NE 3.35Å; D384-Y440 WeakPolarHBondContact OD1-CE1 3.37Å; D384-Y440 PolarHBondContact OD1-OH 2.92Å
385	W	98.9	Very high	98.8	Very high	13 Å²	13	43.5 Å²	43.5	5%	0.049	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-44	172.6	-174	91.8	0	0	0	111.1	V170 F182 A184 I187 A381 A382 V387 R388 N389	V170-W385 HydrophobicContact CG1-CB 3.96Å; V170-W385 HydrophobicContact CG1-CG 4.38Å; V170-W385 HydrophobicContact CG2-CB 4.33Å; V170-W385 HydrophobicContact CG2-CD2 4.43Å; V170-W385 HydrophobicContact CG2-CG 3.87Å; F182-W385 HydrophobicContact CB-CH2 3.98Å; F182-W385 HydrophobicContact CB-CZ2 3.33Å; F182-W385 HydrophobicContact CD1-CZ2 4.4Å; F182-W385 AromaticContact CD1-NE1 3.94Å; F182-W385 HydrophobicContact CD2-CZ2 4.38Å; F182-W385 AromaticContact CG-CZ2 3.81Å; F182-W385 HydrophobicContact CG-CZ2 3.81Å; F182-W385 AromaticContact CG-NE1 3.92Å; A184-W385 HydrophobicContact CB-CZ3 4.14Å; I187-W385 HydrophobicContact CB-CE3 4.39Å; I187-W385 HydrophobicContact CD1-CD2 3.63Å; I187-W385 HydrophobicContact CD1-CE3 3.55Å; I187-W385 HydrophobicContact CD1-CG 4.44Å; I187-W385 HydrophobicContact CD1-CH2 3.71Å; I187-W385 HydrophobicContact CD1-CZ2 3.77Å; I187-W385 HydrophobicContact CD1-CZ3 3.59Å; I187-W385 HydrophobicContact CG2-CD2 4.3Å; I187-W385 HydrophobicContact CG2-CE3 3.9Å; A381-W385 VanDerWaalsContact O-CB 3.27Å; A381-W385 WeakPolarHBondContact O-CB 3.3Å; A381-W385 PolarHBondContact O-N 2.94Å; A382-W385 PolarHBondContact O-N 3.48Å; W385-V387 PolarHBondContact O-N 3.37Å; W385-R388 PolarHBondContact O-N 2.87Å; W385-N389 HydrophobicContact CD2-CB 4.25Å; W385-N389 HydrophobicContact CE3-CB 4.33Å; W385-N389 HydrophobicContact CH2-CB 3.87Å; W385-N389 HydrophobicContact CZ2-CB 3.77Å; W385-N389 HydrophobicContact CZ3-CB 4.16Å; W385-N389 PolarHBondContact NE1-ND2 3.1Å; W385-N389 WeakPolarHBondContact O-CB 3.38Å; W385-N389 PolarHBondContact O-N 3.02Å; W385-N389 PolarHBondContact O-ND2 2.95Å
386	L	98.9	Very high	98.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-43.7	178.2	-71.9	168.1	0	0	0	111.8	A184 A188 A382 S383 D384 Q390 W396 A424 T427 L428	A184-L386 HydrophobicContact CB-CD2 4.28Å; A188-L386 HydrophobicContact CB-CD1 4.45Å; A382-L386 VanDerWaalsContact O-CG 3.29Å; A382-L386 WeakPolarHBondContact O-CG 3.12Å; A382-L386 PolarHBondContact O-N 3.42Å; S383-L386 WeakPolarHBondContact O-CB 3.28Å; S383-L386 PolarHBondContact O-N 3.37Å; D384-L386 VanDerWaalsContact C-N 3.33Å; L386-Q390 PolarHBondContact O-N 3.2Å; L386-W396 HydrophobicContact CB-CZ2 4.17Å; L386-W396 HydrophobicContact CD2-CD2 4.22Å; L386-W396 HydrophobicContact CD2-CG 4.4Å; L386-W396 HydrophobicContact CD2-CZ2 4.26Å; L386-W396 PolarHBondContact O-NE1 3.15Å; L386-A424 HydrophobicContact CD1-CB 4.04Å; L386-A424 HydrophobicContact CD2-CB 3.76Å; L386-A424 HydrophobicContact CG-CB 4.47Å; L386-T427 HydrophobicContact CD1-CG2 3.82Å; L386-L428 HydrophobicContact CB-CD2 4.1Å; L386-L428 HydrophobicContact CB-CG 4.41Å; L386-L428 HydrophobicContact CD1-CG 4.47Å
387	V	98.9	Very high	98.7	Very high	46 Å²	46	43 Å²	43	28%	0.279	21%	0.211	S	C	.	.	H	α-helix	trans	-60.9	-47.8	176	173.7	0	0	0	0	111.3	S383 D384 W385 N389 L428 Y440 A443	S383-V387 PolarHBondContact O-N 2.97Å; D384-V387 PolarHBondContact O-N 3.32Å; W385-V387 PolarHBondContact O-N 3.37Å; V387-N389 VanDerWaalsContact C-N 3.34Å; V387-N389 PolarHBondContact O-N 3.3Å; V387-L428 HydrophobicContact CG2-CD2 3.59Å; V387-Y440 HydrophobicContact CG2-CD1 3.49Å; V387-Y440 VanDerWaalsContact CG2-CD1 3.49Å; V387-Y440 HydrophobicContact CG2-CE1 3.87Å; V387-A443 HydrophobicContact CG2-CB 4.17Å
388	R	98.7	Very high	98.7	Very high	137 Å²	137	41.1 Å²	41.1	52%	0.517	20%	0.195	S	C	.	.	H	α-helix	trans	-70.1	-27.6	-175.5	-72	-178.4	-64.9	117.2	-4.2	114.2	E168 D384 W385	E168-R388 IonicContact OE1-NH1 2.75Å; E168-R388 IonicContact OE2-CZ 2.78Å; E168-R388 VanDerWaalsContact OE2-CZ 3.23Å; E168-R388 IonicContact OE2-NH1 3.2Å; E168-R388 PolarHBondContact OE2-NH1 3.23Å; E168-R388 IonicContact OE2-NH2 3.55Å; E168-R388 PolarHBondContact OE2-NH2 3.36Å; D384-R388 WeakPolarHBondContact O-CB 3.27Å; D384-R388 WeakPolarHBondContact O-CG 3.35Å; D384-R388 PolarHBondContact O-N 2.68Å; D384-R388 PolarHBondContact O-NE 3.35Å; W385-R388 PolarHBondContact O-N 2.87Å
389	N	98.8	Very high	98.7	Very high	62 Å²	62	46.6 Å²	46.6	33%	0.332	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	11.8	-172.6	-66	-92.6	0	0	0	113.3	W385 V387	W385-N389 HydrophobicContact CD2-CB 4.25Å; W385-N389 HydrophobicContact CE3-CB 4.33Å; W385-N389 HydrophobicContact CH2-CB 3.87Å; W385-N389 HydrophobicContact CZ2-CB 3.77Å; W385-N389 HydrophobicContact CZ3-CB 4.16Å; W385-N389 PolarHBondContact NE1-ND2 3.1Å; W385-N389 WeakPolarHBondContact O-CB 3.38Å; W385-N389 PolarHBondContact O-N 3.02Å; W385-N389 PolarHBondContact O-ND2 2.95Å; V387-N389 VanDerWaalsContact C-N 3.34Å; V387-N389 PolarHBondContact O-N 3.3Å
390	Q	98.9	Very high	98.6	Very high	29 Å²	29	47 Å²	47	14%	0.136	22%	0.223	C	C	.	.			trans	-77.6	130.3	170	-170.8	-179	46.7	0	0	109.7	L386 G394 W396 A443	L386-Q390 PolarHBondContact O-N 3.2Å; Q390-G394 PolarHBondContact NE2-O 3.44Å; Q390-W396 HydrophobicContact CB-CZ2 3.93Å; Q390-W396 HydrophobicContact CG-CH2 4.4Å; Q390-W396 HydrophobicContact CG-CZ2 3.93Å; Q390-A443 PolarHBondContact NE2-O 2.86Å; Q390-A443 PolarHBondContact OE1-O 3.04Å
391	D	98.6	Very high	98.6	Very high	40 Å²	40	47.7 Å²	47.7	21%	0.214	23%	0.232	C	C	.	.			trans	-80.5	-179.6	178.9	69.5	29.1	0	0	0	113.5	R393 G394 G395 Y416 K446	D391-R393 PolarHBondContact O-N 3.48Å; D391-R393 WeakPolarHBondContact OD1-CA 3.48Å; D391-R393 WeakPolarHBondContact OD1-CB 3.48Å; D391-R393 PolarHBondContact OD1-N 3.05Å; D391-G394 PolarHBondContact O-N 3.18Å; D391-G394 VanDerWaalsContact O-N 3.1Å; D391-G394 PolarHBondContact OD1-N 3.39Å; D391-G394 VanDerWaalsContact OD1-N 3.07Å; D391-G395 VanDerWaalsContact CG-O 3.3Å; D391-G395 PolarHBondContact N-O 2.87Å; D391-G395 PolarHBondContact OD1-N 3.06Å; D391-Y416 VanDerWaalsContact CG-OH 3.26Å; D391-Y416 PolarHBondContact OD1-OH 2.81Å; D391-Y416 WeakPolarHBondContact OD2-CE1 3.34Å; D391-Y416 PolarHBondContact OD2-OH 2.96Å; D391-K446 WeakPolarHBondContact O-CE 3.38Å; D391-K446 PolarHBondContact O-NZ 3.17Å
392	E	98.1	Very high	98.5	Very high	181 Å²	181	49.1 Å²	49.1	85%	0.846	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-27.6	-179.5	-66.4	-177	175.3	0	0	113.8	G394 K446	E392-G394 VanDerWaalsContact C-N 3.27Å; E392-K446 WeakPolarHBondContact O-CE 3.11Å; E392-K446 PolarHBondContact O-NZ 3.45Å
393	R	98	Very high	98.3	Very high	160 Å²	160	55.5 Å²	55.5	60%	0.604	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-1.6	179.2	-57.8	179	-179.1	-125.6	-1.4	112.4	D391 G395 Y416	D391-R393 PolarHBondContact O-N 3.48Å; D391-R393 WeakPolarHBondContact OD1-CA 3.48Å; D391-R393 WeakPolarHBondContact OD1-CB 3.48Å; D391-R393 PolarHBondContact OD1-N 3.05Å; R393-G395 VanDerWaalsContact C-N 3.31Å; R393-Y416 WeakPolarHBondContact CD-OH 3.25Å
394	G	98.4	Very high	98.1	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	84.1	5.9	-176.9	0	0	0	0	0	113.8	Q390 D391 E392 Q421 K446 A447	Q390-G394 PolarHBondContact NE2-O 3.44Å; D391-G394 PolarHBondContact O-N 3.18Å; D391-G394 VanDerWaalsContact O-N 3.1Å; D391-G394 PolarHBondContact OD1-N 3.39Å; D391-G394 VanDerWaalsContact OD1-N 3.07Å; E392-G394 VanDerWaalsContact C-N 3.27Å; G394-Q421 PolarHBondContact O-NE2 3.47Å; G394-K446 WeakPolarHBondContact CA-O 3.38Å; G394-A447 WeakPolarHBondContact O-CA 3.44Å
395	G	98.6	Very high	97.8	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.257	C	S	.	.			trans	-90.7	163.4	-178.6	0	0	0	0	0	113.5	D391 R393 Y416	D391-G395 VanDerWaalsContact CG-O 3.3Å; D391-G395 PolarHBondContact N-O 2.87Å; D391-G395 PolarHBondContact OD1-N 3.06Å; R393-G395 VanDerWaalsContact C-N 3.31Å; G395-Y416 VanDerWaalsContact CA-CE1 3.5Å
396	W	98.9	Very high	97.5	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.015	29%	0.293	C	S	.	.			trans	-110.9	95.3	162.2	-67	-84.6	0	0	0	109	A184 L386 Q390 I398 Q421 A424 L428 A447	A184-W396 HydrophobicContact CB-CB 3.59Å; A184-W396 HydrophobicContact CB-CG 3.94Å; L386-W396 HydrophobicContact CB-CZ2 4.17Å; L386-W396 HydrophobicContact CD2-CD2 4.22Å; L386-W396 HydrophobicContact CD2-CG 4.4Å; L386-W396 HydrophobicContact CD2-CZ2 4.26Å; L386-W396 PolarHBondContact O-NE1 3.15Å; Q390-W396 HydrophobicContact CB-CZ2 3.93Å; Q390-W396 HydrophobicContact CG-CH2 4.4Å; Q390-W396 HydrophobicContact CG-CZ2 3.93Å; W396-I398 PolarHBondContact O-N 2.79Å; W396-Q421 VanDerWaalsContact CE3-OE1 3.29Å; W396-A424 HydrophobicContact CD2-CB 4.16Å; W396-A424 HydrophobicContact CE3-CB 3.68Å; W396-A424 HydrophobicContact CH2-CB 3.4Å; W396-A424 VanDerWaalsContact CH2-CB 3.4Å; W396-A424 HydrophobicContact CZ2-CB 3.9Å; W396-A424 HydrophobicContact CZ3-CB 3.29Å; W396-L428 HydrophobicContact CH2-CD1 3.86Å; W396-L428 HydrophobicContact CZ2-CD1 3.91Å; W396-A447 HydrophobicContact CH2-CB 3.66Å; W396-A447 HydrophobicContact CZ3-CB 3.63Å
397	P	98.6	Very high	97.3	Very high	43 Å²	43	64.3 Å²	64.3	28%	0.279	32%	0.321	S	S	.	.			trans	-65.3	133.6	-173	24.4	-31.5	0	0	0	111.3	M399 Y416	P397-M399 HydrophobicContact CB-SD 4.01Å; P397-M399 HydrophobicContact CG-SD 4.35Å; P397-M399 PolarHBondContact O-N 3.43Å; P397-Y416 HydrophobicContact CB-CD1 4.49Å; P397-Y416 HydrophobicContact CB-CE1 3.99Å
398	I	98.6	Very high	97.2	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.015	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-90.4	106.7	178.9	-62.1	161.3	0	0	0	108.5	W176 Y181 Y183 W396 V400 G414 W415	W176-I398 HydrophobicContact CZ3-CG2 4.1Å; Y181-I398 HydrophobicContact CE2-CG2 4.46Å; Y183-I398 HydrophobicContact CD2-CD1 4.42Å; Y183-I398 HydrophobicContact CD2-CG1 4.21Å; Y183-I398 HydrophobicContact CD2-CG2 4.42Å; Y183-I398 HydrophobicContact CE2-CD1 3.8Å; Y183-I398 HydrophobicContact CE2-CG1 4.1Å; Y183-I398 HydrophobicContact CE2-CG2 4.48Å; W396-I398 PolarHBondContact O-N 2.79Å; I398-V400 HydrophobicContact CG2-CG2 3.87Å; I398-V400 PolarHBondContact O-N 2.89Å; I398-G414 PolarHBondContact O-N 2.8Å; I398-W415 HydrophobicContact CB-CD2 4.02Å; I398-W415 HydrophobicContact CB-CG 4.42Å; I398-W415 HydrophobicContact CB-CZ2 3.96Å; I398-W415 WeakPolarHBondContact CB-O 3.45Å; I398-W415 HydrophobicContact CD1-CD2 3.99Å; I398-W415 HydrophobicContact CD1-CE3 3.65Å; I398-W415 HydrophobicContact CD1-CH2 3.39Å; I398-W415 HydrophobicContact CD1-CZ2 3.74Å; I398-W415 HydrophobicContact CD1-CZ3 3.34Å; I398-W415 HydrophobicContact CG1-CZ2 4.44Å; I398-W415 HydrophobicContact CG2-CD2 4.44Å; I398-W415 HydrophobicContact CG2-CH2 4.3Å; I398-W415 HydrophobicContact CG2-CZ2 3.52Å; I398-W415 PolarHBondContact N-O 3.29Å
399	M	97.9	Very high	97.1	Very high	122 Å²	122	64.5 Å²	64.5	60%	0.601	32%	0.317	S	S	*	.			trans	-83.5	33	-168.8	-59.1	-54.6	-68.2	0	0	114.4	P397	P397-M399 HydrophobicContact CB-SD 4.01Å; P397-M399 HydrophobicContact CG-SD 4.35Å; P397-M399 PolarHBondContact O-N 3.43Å
400	V	97.4	Very high	97	Very high	8 Å²	8	64.6 Å²	64.6	5%	0.048	32%	0.321	C	S	.	.	S	Bend	trans	-139.7	145.4	175.4	-65.6	0	0	0	0	110.8	W176 Y181 I398 W415	W176-V400 HydrophobicContact CB-CG2 4.3Å; W176-V400 HydrophobicContact CE3-CG2 3.81Å; Y181-V400 HydrophobicContact CD1-CG1 3.54Å; Y181-V400 HydrophobicContact CD1-CG2 4.34Å; Y181-V400 HydrophobicContact CD2-CG1 4.01Å; Y181-V400 HydrophobicContact CD2-CG2 4Å; Y181-V400 HydrophobicContact CE1-CG1 3.92Å; Y181-V400 HydrophobicContact CE1-CG2 3.96Å; Y181-V400 HydrophobicContact CE2-CG1 4.33Å; Y181-V400 HydrophobicContact CE2-CG2 3.57Å; Y181-V400 HydrophobicContact CG-CG1 3.6Å; Y181-V400 HydrophobicContact CG-CG2 4.37Å; I398-V400 HydrophobicContact CG2-CG2 3.87Å; I398-V400 PolarHBondContact O-N 2.89Å; V400-W415 PolarHBondContact O-NE1 3.11Å
401	T	97.8	Very high	97	Very high	69 Å²	69	64 Å²	64	42%	0.423	32%	0.319	S	S	.	.			trans	-66.1	137	174.7	-51.2	0	0	0	0	110.7	P410 L411 P413	T401-P410 HydrophobicContact CG2-CB 4.11Å; T401-L411 CarbonylContact C-O 3.1Å; T401-L411 WeakPolarHBondContact CA-O 3.4Å; T401-L411 WeakPolarHBondContact CG2-O 3.27Å; T401-P413 WeakPolarHBondContact OG1-CD 3.23Å
402	R	96.8	Very high	96.9	Very high	52 Å²	52	67.7 Å²	67.7	20%	0.196	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-126.8	114.7	174.5	173.4	56.6	171	133.4	-2.9	110.9	W176 L404 L411 W415 Y474	W176-R402 HydrophobicContact CE3-CB 4.48Å; W176-R402 HydrophobicContact CZ2-CG 4.48Å; R402-L404 VanDerWaalsContact NH2-CD1 3.29Å; R402-L411 HydrophobicContact CB-CB 4.28Å; R402-L411 HydrophobicContact CB-CD1 4.43Å; R402-L411 HydrophobicContact CG-CD1 4.44Å; R402-L411 PolarHBondContact N-O 3.48Å; R402-L411 PolarHBondContact O-N 2.86Å; R402-W415 HydrophobicContact CB-CH2 4.47Å; R402-W415 HydrophobicContact CB-CZ2 3.65Å; R402-W415 HydrophobicContact CG-CH2 4.48Å; R402-W415 HydrophobicContact CG-CZ2 4.1Å; R402-Y474 HydrophobicContact CG-CD1 4.2Å; R402-Y474 HydrophobicContact CG-CE1 4.38Å
403	K	95.8	Very high	96.9	Very high	133 Å²	133	62.1 Å²	62.1	58%	0.578	31%	0.314	S	S	*	.			trans	-96.9	106.8	168.5	-174	175.7	-177.3	-179.7	0	109.4
404	L	93.8	Very high	96.9	Very high	12 Å²	12	55 Å²	55	6%	0.063	29%	0.29	C	S	.	.			trans	-68.7	-35.8	-172.8	-174.8	58.3	0	0	0	113.3	R402 F408 Y474 T476	R402-L404 VanDerWaalsContact NH2-CD1 3.29Å; L404-F408 HydrophobicContact CB-CB 4.3Å; L404-F408 HydrophobicContact CB-CD2 4.02Å; L404-F408 HydrophobicContact CB-CG 4.34Å; L404-F408 HydrophobicContact CD2-CD2 3.97Å; L404-F408 HydrophobicContact CD2-CE2 3.95Å; L404-F408 HydrophobicContact CD2-CG 4.37Å; L404-F408 HydrophobicContact CD2-CZ 4.36Å; L404-F408 HydrophobicContact CG-CD2 4.07Å; L404-F408 HydrophobicContact CG-CE2 4.31Å; L404-Y474 HydrophobicContact CD1-CD2 3.75Å; L404-Y474 HydrophobicContact CD1-CE2 3.99Å; L404-Y474 HydrophobicContact CD1-CG 4.17Å; L404-Y474 HydrophobicContact CD2-CD2 4.19Å; L404-Y474 HydrophobicContact CD2-CG 4.44Å; L404-T476 HydrophobicContact CB-CG2 4.19Å; L404-T476 HydrophobicContact CD2-CG2 3.9Å
405	G	92.6	Very high	96.9	Very high	19 Å²	19	55.5 Å²	55.5	20%	0.196	29%	0.292	C	S	.	.	S	Bend	trans	173.1	-179.9	-179.8	0	0	0	0	0	110
406	E	93.1	Very high	96.9	Very high	174 Å²	174	55.7 Å²	55.7	81%	0.813	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	146.8	169	-64.4	-173.3	166.2	0	0	110.6	F408 L541	E406-F408 VanDerWaalsContact C-N 3.29Å; E406-F408 PolarHBondContact O-N 2.85Å; E406-L541 WeakPolarHBondContact O-CD1 3.46Å
407	G	95.1	Very high	96.9	Very high	57 Å²	57	55.5 Å²	55.5	59%	0.588	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-20.4	-175.4	0	0	0	0	0	115.6
408	F	96.4	Very high	97	Very high	9 Å²	9	53.5 Å²	53.5	4%	0.039	28%	0.279	C	S	.	.	S	Bend	trans	-96.3	137.5	174.3	-64.7	-66.7	0	0	0	112.1	L404 E406 T476 P478 R537 L541	L404-F408 HydrophobicContact CB-CB 4.3Å; L404-F408 HydrophobicContact CB-CD2 4.02Å; L404-F408 HydrophobicContact CB-CG 4.34Å; L404-F408 HydrophobicContact CD2-CD2 3.97Å; L404-F408 HydrophobicContact CD2-CE2 3.95Å; L404-F408 HydrophobicContact CD2-CG 4.37Å; L404-F408 HydrophobicContact CD2-CZ 4.36Å; L404-F408 HydrophobicContact CG-CD2 4.07Å; L404-F408 HydrophobicContact CG-CE2 4.31Å; E406-F408 VanDerWaalsContact C-N 3.29Å; E406-F408 PolarHBondContact O-N 2.85Å; F408-T476 HydrophobicContact CB-CG2 4.38Å; F408-T476 HydrophobicContact CD1-CG2 4.36Å; F408-T476 WeakPolarHBondContact CD1-OG1 3.26Å; F408-T476 HydrophobicContact CG-CG2 4.46Å; F408-P478 HydrophobicContact CD1-CG 4.22Å; F408-P478 WeakPolarHBondContact CD1-O 3.11Å; F408-P478 HydrophobicContact CE1-CG 4.12Å; F408-P478 VanDerWaalsContact CE1-O 3.22Å; F408-P478 WeakPolarHBondContact CE1-O 3.22Å; F408-R537 HydrophobicContact CE2-CB 3.87Å; F408-R537 HydrophobicContact CZ-CB 3.75Å; F408-L541 HydrophobicContact CD2-CD1 3.99Å; F408-L541 HydrophobicContact CE1-CD1 4.21Å; F408-L541 HydrophobicContact CE1-CD2 4.5Å; F408-L541 HydrophobicContact CE1-CG 4.46Å; F408-L541 HydrophobicContact CE2-CD1 3.57Å; F408-L541 HydrophobicContact CG-CD1 4.5Å; F408-L541 HydrophobicContact CZ-CD1 3.7Å; F408-L541 HydrophobicContact CZ-CG 4.21Å
409	R	96.3	Very high	97	Very high	178 Å²	178	53.9 Å²	53.9	67%	0.672	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-63.2	141.7	169.3	-66	-172.3	-174	-157.7	1.1	110.5	T477	R409-T477 PolarHBondContact N-O 2.99Å; R409-T477 VanDerWaalsContact N-O 3.12Å
410	P	97.4	Very high	97	Very high	64 Å²	64	48 Å²	48	42%	0.416	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-56.6	138.8	169.5	-22.8	33.8	0	0	0	111.1	T401	T401-P410 HydrophobicContact CG2-CB 4.11Å
411	L	98.1	Very high	97.1	Very high	16 Å²	16	47.7 Å²	47.7	8%	0.084	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-87.1	111.4	169.5	-61	176.9	0	0	0	108.1	T401 R402 W415 P475 T476	T401-L411 CarbonylContact C-O 3.1Å; T401-L411 WeakPolarHBondContact CA-O 3.4Å; T401-L411 WeakPolarHBondContact CG2-O 3.27Å; R402-L411 HydrophobicContact CB-CB 4.28Å; R402-L411 HydrophobicContact CB-CD1 4.43Å; R402-L411 HydrophobicContact CG-CD1 4.44Å; R402-L411 PolarHBondContact N-O 3.48Å; R402-L411 PolarHBondContact O-N 2.86Å; L411-W415 HydrophobicContact CB-CB 4.28Å; L411-W415 HydrophobicContact CB-CD2 4.1Å; L411-W415 HydrophobicContact CB-CG 3.8Å; L411-W415 HydrophobicContact CD1-CD2 3.82Å; L411-W415 HydrophobicContact CD1-CE3 3.8Å; L411-W415 HydrophobicContact CD1-CG 4.27Å; L411-W415 HydrophobicContact CD1-CH2 4.47Å; L411-W415 HydrophobicContact CD1-CZ2 4.49Å; L411-W415 HydrophobicContact CD1-CZ3 4.14Å; L411-P475 HydrophobicContact CD2-CG 4.39Å; L411-P475 WeakPolarHBondContact CD2-O 3.14Å; L411-T476 HydrophobicContact CD1-CG2 4.08Å; L411-T476 HydrophobicContact CD2-CG2 4.14Å; L411-T476 HydrophobicContact CG-CG2 4.15Å
412	E	97.6	Very high	97.1	Very high	117 Å²	117	44.4 Å²	44.4	55%	0.547	23%	0.23	S	C	.	.			trans	-73.7	151.5	177.9	-63.1	-52	145.3	0	0	112	G414 W415	E412-G414 PolarHBondContact O-N 3.01Å; E412-W415 PolarHBondContact O-N 3.39Å
413	P	98.3	Very high	97.2	Very high	64 Å²	64	41.9 Å²	41.9	42%	0.416	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48	136.1	-178.2	-28.5	36.2	0	0	0	112.9	T401	T401-P413 WeakPolarHBondContact OG1-CD 3.23Å
414	G	98	Very high	97.4	Very high	10 Å²	10	35.6 Å²	35.6	10%	0.103	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.4	-14.2	-176.4	0	0	0	0	0	113.8	I398 E412 H458	I398-G414 PolarHBondContact O-N 2.8Å; E412-G414 PolarHBondContact O-N 3.01Å; G414-H458 PolarHBondContact O-CE1 3.39Å; G414-H458 PolarHBondContact O-NE2 3.27Å
415	W	98.6	Very high	97.6	Very high	11 Å²	11	35 Å²	35	4%	0.042	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-57.7	145.3	177.4	64.7	-81.4	0	0	0	112.9	W176 I398 V400 R402 L411 E412 Y474 P475	W176-W415 HydrophobicContact CE3-CZ2 4.12Å; W176-W415 AromaticContact CH2-CH2 3.68Å; W176-W415 HydrophobicContact CH2-CH2 3.68Å; W176-W415 AromaticContact CH2-CZ2 3.89Å; W176-W415 HydrophobicContact CH2-CZ2 3.89Å; W176-W415 AromaticContact CZ3-CH2 3.65Å; W176-W415 HydrophobicContact CZ3-CH2 3.65Å; W176-W415 AromaticContact CZ3-CZ2 3.4Å; W176-W415 HydrophobicContact CZ3-CZ2 3.4Å; I398-W415 HydrophobicContact CB-CD2 4.02Å; I398-W415 HydrophobicContact CB-CG 4.42Å; I398-W415 HydrophobicContact CB-CZ2 3.96Å; I398-W415 WeakPolarHBondContact CB-O 3.45Å; I398-W415 HydrophobicContact CD1-CD2 3.99Å; I398-W415 HydrophobicContact CD1-CE3 3.65Å; I398-W415 HydrophobicContact CD1-CH2 3.39Å; I398-W415 HydrophobicContact CD1-CZ2 3.74Å; I398-W415 HydrophobicContact CD1-CZ3 3.34Å; I398-W415 HydrophobicContact CG1-CZ2 4.44Å; I398-W415 HydrophobicContact CG2-CD2 4.44Å; I398-W415 HydrophobicContact CG2-CH2 4.3Å; I398-W415 HydrophobicContact CG2-CZ2 3.52Å; I398-W415 PolarHBondContact N-O 3.29Å; V400-W415 PolarHBondContact O-NE1 3.11Å; R402-W415 HydrophobicContact CB-CH2 4.47Å; R402-W415 HydrophobicContact CB-CZ2 3.65Å; R402-W415 HydrophobicContact CG-CH2 4.48Å; R402-W415 HydrophobicContact CG-CZ2 4.1Å; L411-W415 HydrophobicContact CB-CB 4.28Å; L411-W415 HydrophobicContact CB-CD2 4.1Å; L411-W415 HydrophobicContact CB-CG 3.8Å; L411-W415 HydrophobicContact CD1-CD2 3.82Å; L411-W415 HydrophobicContact CD1-CE3 3.8Å; L411-W415 HydrophobicContact CD1-CG 4.27Å; L411-W415 HydrophobicContact CD1-CH2 4.47Å; L411-W415 HydrophobicContact CD1-CZ2 4.49Å; L411-W415 HydrophobicContact CD1-CZ3 4.14Å; E412-W415 PolarHBondContact O-N 3.39Å; W415-Y474 AromaticContact CH2-CD1 3.66Å; W415-Y474 HydrophobicContact CH2-CD1 3.66Å; W415-Y474 AromaticContact CH2-CE1 3.95Å; W415-Y474 HydrophobicContact CH2-CE1 3.95Å; W415-Y474 AromaticContact CZ3-CD1 3.85Å; W415-Y474 HydrophobicContact CZ3-CD1 3.85Å; W415-Y474 HydrophobicContact CZ3-CE1 4.47Å; W415-P475 HydrophobicContact CB-CG 4.39Å; W415-P475 HydrophobicContact CE3-CG 4.27Å
416	Y	98.8	Very high	97.9	Very high	5 Å²	5	34.1 Å²	34.1	2%	0.02	18%	0.181	C	C	.	.			trans	-96.7	161.5	175	-58.3	-48.9	0	0	0	112.2	D391 R393 G395 P397 P450 H458 P475	D391-Y416 VanDerWaalsContact CG-OH 3.26Å; D391-Y416 PolarHBondContact OD1-OH 2.81Å; D391-Y416 WeakPolarHBondContact OD2-CE1 3.34Å; D391-Y416 PolarHBondContact OD2-OH 2.96Å; R393-Y416 WeakPolarHBondContact CD-OH 3.25Å; G395-Y416 VanDerWaalsContact CA-CE1 3.5Å; P397-Y416 HydrophobicContact CB-CD1 4.49Å; P397-Y416 HydrophobicContact CB-CE1 3.99Å; Y416-P450 HydrophobicContact CD2-CB 4.01Å; Y416-P450 HydrophobicContact CD2-CG 4.03Å; Y416-P450 HydrophobicContact CE2-CG 4.28Å; Y416-P450 HydrophobicContact CG-CG 4.44Å; Y416-H458 VanDerWaalsContact CD2-O 3.32Å; Y416-H458 WeakPolarHBondContact CD2-O 3.44Å; Y416-H458 AromaticContact CE2-CD2 3.39Å; Y416-H458 WeakPolarHBondContact CE2-CD2 3.27Å; Y416-H458 AromaticContact CE2-NE2 3.69Å; Y416-H458 VanDerWaalsContact CE2-O 3.3Å; Y416-H458 WeakPolarHBondContact CE2-O 3.13Å; Y416-H458 AromaticContact CZ-CD2 3.78Å; Y416-H458 AromaticContact CZ-NE2 3.65Å; Y416-P475 WeakPolarHBondContact O-CD 3.31Å; Y416-P475 WeakPolarHBondContact O-CG 3.27Å
417	S	98.9	Very high	98.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.			trans	-127.5	130	173.7	177.9	0	0	0	0	110.2	M419 A420 Q421 E473	S417-M419 PolarHBondContact O-N 2.85Å; S417-M419 PolarHBondContact OG-N 3.39Å; S417-A420 WeakPolarHBondContact O-CA 3.27Å; S417-A420 WeakPolarHBondContact O-CB 3.4Å; S417-A420 PolarHBondContact O-N 3.43Å; S417-Q421 WeakPolarHBondContact O-CG 3.49Å; S417-Q421 PolarHBondContact O-N 3.32Å; S417-E473 WeakPolarHBondContact CB-O 3.29Å; S417-E473 PolarHBondContact OG-O 2.89Å
418	A	98.9	Very high	98.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.4	-30.8	174.7	0	0	0	0	0	112	G422 Y451 V460 Y471 E472 S489	A418-G422 PolarHBondContact O-N 3.37Å; A418-Y451 HydrophobicContact CB-CE1 4.22Å; A418-Y451 PolarHBondContact O-OH 2.91Å; A418-V460 HydrophobicContact CB-CB 4.11Å; A418-V460 HydrophobicContact CB-CG2 3.94Å; A418-Y471 VanDerWaalsContact CB-C 3.46Å; A418-Y471 WeakPolarHBondContact CB-O 3.31Å; A418-E472 WeakPolarHBondContact CB-O 3.23Å; A418-E472 PolarHBondContact N-O 3.42Å; A418-S489 WeakPolarHBondContact O-CB 3.35Å
419	M	98.9	Very high	98.5	Very high	11 Å²	11	22.7 Å²	22.7	5%	0.054	11%	0.112	C	C	.	.	H	α-helix	trans	-70	-37	174	-177.1	174.8	174.9	0	0	111.9	I185 S417 Q423 E473 Y488	I185-M419 HydrophobicContact CD1-CB 3.91Å; I185-M419 HydrophobicContact CD1-CG 3.96Å; I185-M419 HydrophobicContact CD1-SD 4.3Å; I185-M419 HydrophobicContact CG1-CB 4.45Å; I185-M419 HydrophobicContact CG1-CG 4.18Å; I185-M419 HydrophobicContact CG2-CE 4.05Å; S417-M419 PolarHBondContact O-N 2.85Å; S417-M419 PolarHBondContact OG-N 3.39Å; M419-Q423 HydrophobicContact CG-CG 4.43Å; M419-Q423 WeakPolarHBondContact O-CB 3.38Å; M419-Q423 WeakPolarHBondContact O-CG 3.17Å; M419-Q423 PolarHBondContact O-N 3.45Å; M419-E473 HydrophobicContact CB-CG 4.06Å; M419-E473 HydrophobicContact SD-CG 4.3Å; M419-Y488 HydrophobicContact CE-CD2 3.46Å; M419-Y488 VanDerWaalsContact CE-CD2 3.46Å; M419-Y488 HydrophobicContact CE-CE2 3.63Å; M419-Y488 HydrophobicContact CE-CG 4.33Å; M419-Y488 HydrophobicContact CG-CD2 4.13Å; M419-Y488 HydrophobicContact CG-CG 4.43Å; M419-Y488 HydrophobicContact SD-CD2 3.94Å
420	A	98.9	Very high	98.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.3	-48.9	174	0	0	0	0	0	110.8	A184 I185 S417 G422 A424	A184-A420 HydrophobicContact CB-CB 4.28Å; I185-A420 HydrophobicContact CD1-CB 4.01Å; I185-A420 VanDerWaalsContact CG1-CA 3.4Å; I185-A420 HydrophobicContact CG1-CB 3.65Å; S417-A420 WeakPolarHBondContact O-CA 3.27Å; S417-A420 WeakPolarHBondContact O-CB 3.4Å; S417-A420 PolarHBondContact O-N 3.43Å; A420-G422 PolarHBondContact O-N 2.91Å; A420-A424 WeakPolarHBondContact O-CB 3.45Å; A420-A424 PolarHBondContact O-N 3.36Å
421	Q	98.9	Very high	98.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.3	-48.2	177.5	-59.2	-54.7	116.6	0	0	111.3	G394 W396 S417 A424 M425 A447 P450 Y451	G394-Q421 PolarHBondContact O-NE2 3.47Å; W396-Q421 VanDerWaalsContact CE3-OE1 3.29Å; S417-Q421 WeakPolarHBondContact O-CG 3.49Å; S417-Q421 PolarHBondContact O-N 3.32Å; Q421-A424 PolarHBondContact O-N 2.95Å; Q421-M425 HydrophobicContact CB-CE 4.44Å; Q421-M425 WeakPolarHBondContact O-CB 3.34Å; Q421-M425 WeakPolarHBondContact O-CG 3.44Å; Q421-M425 PolarHBondContact O-N 3.09Å; Q421-A447 PolarHBondContact NE2-O 2.92Å; Q421-P450 HydrophobicContact CG-CB 4.45Å; Q421-P450 HydrophobicContact CG-CG 4.36Å; Q421-Y451 HydrophobicContact CB-CE2 3.45Å; Q421-Y451 VanDerWaalsContact CB-CE2 3.45Å; Q421-Y451 WeakPolarHBondContact CB-OH 3.37Å; Q421-Y451 HydrophobicContact CG-CE2 4.04Å
422	G	98.9	Very high	98.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-58.4	-52.4	179.9	0	0	0	0	0	113.5	A418 A420 A424 M425 S426 Y451 G492	A418-G422 PolarHBondContact O-N 3.37Å; A420-G422 PolarHBondContact O-N 2.91Å; G422-A424 VanDerWaalsContact C-N 3.34Å; G422-A424 PolarHBondContact O-N 3.5Å; G422-M425 WeakPolarHBondContact O-CB 3.09Å; G422-M425 PolarHBondContact O-N 3.25Å; G422-S426 PolarHBondContact O-N 2.89Å; G422-S426 PolarHBondContact O-OG 3.25Å; G422-Y451 PolarHBondContact N-OH 3.28Å; G422-G492 VanDerWaalsContact O-CA 3.28Å; G422-G492 WeakPolarHBondContact O-CA 3.21Å
423	Q	98.9	Very high	98.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-68.9	-34.1	-178.6	-66.4	-172	-29.9	0	0	112.1	I185 A188 L192 M419 S426 T427 Y488	I185-Q423 PolarHBondContact O-OE1 2.93Å; A188-Q423 HydrophobicContact CB-CB 3.68Å; L192-Q423 HydrophobicContact CD1-CB 4.26Å; M419-Q423 HydrophobicContact CG-CG 4.43Å; M419-Q423 WeakPolarHBondContact O-CB 3.38Å; M419-Q423 WeakPolarHBondContact O-CG 3.17Å; M419-Q423 PolarHBondContact O-N 3.45Å; Q423-S426 PolarHBondContact O-N 3.36Å; Q423-T427 PolarHBondContact O-N 2.87Å; Q423-T427 PolarHBondContact O-OG1 2.81Å; Q423-Y488 HydrophobicContact CG-CD1 4.46Å; Q423-Y488 HydrophobicContact CG-CG 4.44Å
424	A	98.9	Very high	98.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-64.6	-44.9	172.8	0	0	0	0	0	111.8	L386 W396 A420 Q421 G422 S426 T427 L428	L386-A424 HydrophobicContact CD1-CB 4.04Å; L386-A424 HydrophobicContact CD2-CB 3.76Å; L386-A424 HydrophobicContact CG-CB 4.47Å; W396-A424 HydrophobicContact CD2-CB 4.16Å; W396-A424 HydrophobicContact CE3-CB 3.68Å; W396-A424 HydrophobicContact CH2-CB 3.4Å; W396-A424 VanDerWaalsContact CH2-CB 3.4Å; W396-A424 HydrophobicContact CZ2-CB 3.9Å; W396-A424 HydrophobicContact CZ3-CB 3.29Å; A420-A424 WeakPolarHBondContact O-CB 3.45Å; A420-A424 PolarHBondContact O-N 3.36Å; Q421-A424 PolarHBondContact O-N 2.95Å; G422-A424 VanDerWaalsContact C-N 3.34Å; G422-A424 PolarHBondContact O-N 3.5Å; A424-S426 PolarHBondContact O-N 3.13Å; A424-T427 WeakPolarHBondContact O-CB 3.44Å; A424-T427 PolarHBondContact O-N 3.47Å; A424-T427 VanDerWaalsContact O-N 3.15Å; A424-L428 WeakPolarHBondContact O-CB 3.46Å; A424-L428 VanDerWaalsContact O-CG 3.25Å; A424-L428 WeakPolarHBondContact O-CG 3.21Å; A424-L428 PolarHBondContact O-N 2.87Å
425	M	98.9	Very high	98.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-54.5	-51.1	173.2	-78.1	-174.2	-67.7	0	0	111.4	Q421 G422 T427 L428 V429 A447 V448 Y451 L493 V496	Q421-M425 HydrophobicContact CB-CE 4.44Å; Q421-M425 WeakPolarHBondContact O-CB 3.34Å; Q421-M425 WeakPolarHBondContact O-CG 3.44Å; Q421-M425 PolarHBondContact O-N 3.09Å; G422-M425 WeakPolarHBondContact O-CB 3.09Å; G422-M425 PolarHBondContact O-N 3.25Å; M425-T427 VanDerWaalsContact C-N 3.26Å; M425-T427 PolarHBondContact O-N 2.94Å; M425-L428 PolarHBondContact O-N 3.04Å; M425-V429 WeakPolarHBondContact O-CB 3.25Å; M425-V429 VanDerWaalsContact O-CG2 3.31Å; M425-V429 WeakPolarHBondContact O-CG2 3.48Å; M425-V429 PolarHBondContact O-N 3.38Å; M425-A447 HydrophobicContact CG-CB 3.58Å; M425-A447 HydrophobicContact SD-CB 4.1Å; M425-V448 HydrophobicContact SD-CG2 4.03Å; M425-Y451 HydrophobicContact CE-CE2 3.58Å; M425-Y451 WeakPolarHBondContact CE-OH 3.18Å; M425-L493 HydrophobicContact CE-CD2 3.96Å; M425-L493 HydrophobicContact CE-CG 4.03Å; M425-L493 HydrophobicContact SD-CD2 4.29Å; M425-V496 HydrophobicContact CB-CG2 3.79Å; M425-V496 HydrophobicContact CG-CG2 3.84Å; M425-V496 HydrophobicContact SD-CG2 3.82Å
426	S	98.9	Very high	98.9	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.9	-33.4	177.6	-68.5	0	0	0	0	114	F147 G422 Q423 A424 R430 G492 D495	F147-S426 VanDerWaalsContact CE2-OG 3.29Å; F147-S426 WeakPolarHBondContact CE2-OG 3.46Å; G422-S426 PolarHBondContact O-N 2.89Å; G422-S426 PolarHBondContact O-OG 3.25Å; Q423-S426 PolarHBondContact O-N 3.36Å; A424-S426 PolarHBondContact O-N 3.13Å; S426-R430 WeakPolarHBondContact O-CD 3.45Å; S426-R430 WeakPolarHBondContact O-CG 3.32Å; S426-R430 PolarHBondContact O-N 3.06Å; S426-R430 PolarHBondContact O-NH1 3.49Å; S426-G492 WeakPolarHBondContact OG-CA 3.36Å; S426-D495 VanDerWaalsContact CA-OD2 3.29Å; S426-D495 WeakPolarHBondContact CA-OD2 3.42Å; S426-D495 WeakPolarHBondContact CB-OD2 3.39Å; S426-D495 PolarHBondContact OG-OD2 3.49Å
427	T	98.9	Very high	98.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-71	-50	176.4	-53.8	0	0	0	0	110.7	L192 F379 L386 Q423 A424 M425 R430 A431	L192-T427 WeakPolarHBondContact CG-OG1 3.34Å; F379-T427 HydrophobicContact CD2-CG2 4.4Å; F379-T427 HydrophobicContact CE2-CG2 3.87Å; F379-T427 WeakPolarHBondContact CZ-O 3.44Å; L386-T427 HydrophobicContact CD1-CG2 3.82Å; Q423-T427 PolarHBondContact O-N 2.87Å; Q423-T427 PolarHBondContact O-OG1 2.81Å; A424-T427 WeakPolarHBondContact O-CB 3.44Å; A424-T427 PolarHBondContact O-N 3.47Å; A424-T427 VanDerWaalsContact O-N 3.15Å; M425-T427 VanDerWaalsContact C-N 3.26Å; M425-T427 PolarHBondContact O-N 2.94Å; T427-R430 PolarHBondContact O-N 3.22Å; T427-A431 PolarHBondContact O-N 2.78Å
428	L	98.9	Very high	98.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.4	-38.3	-177.3	-68.7	167	0	0	0	112.2	L386 V387 W396 A424 M425 A431 Y432 Y440 A443 A444	L386-L428 HydrophobicContact CB-CD2 4.1Å; L386-L428 HydrophobicContact CB-CG 4.41Å; L386-L428 HydrophobicContact CD1-CG 4.47Å; V387-L428 HydrophobicContact CG2-CD2 3.59Å; W396-L428 HydrophobicContact CH2-CD1 3.86Å; W396-L428 HydrophobicContact CZ2-CD1 3.91Å; A424-L428 WeakPolarHBondContact O-CB 3.46Å; A424-L428 VanDerWaalsContact O-CG 3.25Å; A424-L428 WeakPolarHBondContact O-CG 3.21Å; A424-L428 PolarHBondContact O-N 2.87Å; M425-L428 PolarHBondContact O-N 3.04Å; L428-A431 PolarHBondContact O-N 2.67Å; L428-Y432 PolarHBondContact O-N 3.04Å; L428-Y440 HydrophobicContact CD2-CD1 3.91Å; L428-Y440 WeakPolarHBondContact O-CB 3.28Å; L428-A443 HydrophobicContact CD1-CB 3.84Å; L428-A443 HydrophobicContact CD2-CB 4.36Å; L428-A444 HydrophobicContact CB-CB 3.89Å; L428-A444 HydrophobicContact CD1-CB 4.35Å
429	V	98.9	Very high	98.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.9	-47.5	173.9	162.4	0	0	0	0	110.7	P143 M425 A431 Y432 L433 A444 D495 V496 T499	P143-V429 HydrophobicContact CB-CG1 3.97Å; M425-V429 WeakPolarHBondContact O-CB 3.25Å; M425-V429 VanDerWaalsContact O-CG2 3.31Å; M425-V429 WeakPolarHBondContact O-CG2 3.48Å; M425-V429 PolarHBondContact O-N 3.38Å; V429-A431 VanDerWaalsContact C-N 3.3Å; V429-A431 PolarHBondContact O-N 2.93Å; V429-Y432 WeakPolarHBondContact O-CB 3.33Å; V429-Y432 PolarHBondContact O-N 2.88Å; V429-L433 HydrophobicContact CG1-CD1 3.65Å; V429-L433 HydrophobicContact CG1-CG 4.37Å; V429-L433 WeakPolarHBondContact O-CB 3.37Å; V429-L433 VanDerWaalsContact O-CG 3.28Å; V429-L433 WeakPolarHBondContact O-CG 3.45Å; V429-L433 PolarHBondContact O-N 3.38Å; V429-A444 HydrophobicContact CG2-CB 4.25Å; V429-D495 HydrophobicContact CB-CB 4.28Å; V429-D495 HydrophobicContact CG1-CB 4.13Å; V429-D495 HydrophobicContact CG2-CB 4.19Å; V429-V496 HydrophobicContact CG2-CB 4.49Å; V429-V496 HydrophobicContact CG2-CG2 3.72Å; V429-T499 HydrophobicContact CG1-CG2 4.13Å; V429-T499 WeakPolarHBondContact CG1-OG1 3.44Å
430	R	98.9	Very high	98.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-38.7	176.2	-76.5	167.5	175.4	73.7	6.6	112.2	Y141 P143 G145 Y195 F379 S426 T427 L433 L434 D495	Y141-R430 PolarHBondContact OH-NH2 3.3Å; P143-R430 WeakPolarHBondContact O-CG 3.17Å; P143-R430 PolarHBondContact O-NE 3.4Å; P143-R430 PolarHBondContact O-NH1 2.97Å; P143-R430 PolarHBondContact O-NH2 3.03Å; G145-R430 PolarHBondContact O-NE 2.86Å; G145-R430 PolarHBondContact O-NH2 3.29Å; G145-R430 VanDerWaalsContact O-NH2 3.13Å; Y195-R430 HydrophobicContact CD1-CG 4.42Å; Y195-R430 HydrophobicContact CD2-CB 4.16Å; Y195-R430 HydrophobicContact CE1-CB 4.47Å; Y195-R430 HydrophobicContact CE1-CG 3.94Å; Y195-R430 HydrophobicContact CE2-CB 3.76Å; Y195-R430 HydrophobicContact CE2-CG 4.12Å; F379-R430 HydrophobicContact CE2-CB 4.09Å; F379-R430 HydrophobicContact CZ-CB 3.67Å; S426-R430 WeakPolarHBondContact O-CD 3.45Å; S426-R430 WeakPolarHBondContact O-CG 3.32Å; S426-R430 PolarHBondContact O-N 3.06Å; S426-R430 PolarHBondContact O-NH1 3.49Å; T427-R430 PolarHBondContact O-N 3.22Å; R430-L433 PolarHBondContact O-N 3.46Å; R430-L434 WeakPolarHBondContact O-CG 3.27Å; R430-L434 PolarHBondContact O-N 3.25Å; R430-L434 VanDerWaalsContact O-N 3.1Å; R430-D495 IonicContact CZ-OD2 3.9Å; R430-D495 IonicContact NH1-OD2 3.51Å; R430-D495 PolarHBondContact NH1-OD2 3.02Å
431	A	98.9	Very high	98.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.3	-41.9	178.1	0	0	0	0	0	111.4	F379 F380 T427 L428 V429 L434 T435 Y440	F379-A431 HydrophobicContact CE1-CB 3.95Å; F379-A431 HydrophobicContact CZ-CB 3.88Å; F380-A431 HydrophobicContact CE1-CB 4.33Å; T427-A431 PolarHBondContact O-N 2.78Å; L428-A431 PolarHBondContact O-N 2.67Å; V429-A431 VanDerWaalsContact C-N 3.3Å; V429-A431 PolarHBondContact O-N 2.93Å; A431-L434 PolarHBondContact O-N 3.44Å; A431-T435 WeakPolarHBondContact O-CB 3.36Å; A431-T435 WeakPolarHBondContact O-CG2 3.34Å; A431-T435 PolarHBondContact O-N 3.34Å; A431-T435 PolarHBondContact O-OG1 2.87Å; A431-Y440 HydrophobicContact CB-CD1 3.91Å; A431-Y440 HydrophobicContact CB-CD2 3.79Å; A431-Y440 HydrophobicContact CB-CE1 4.17Å; A431-Y440 HydrophobicContact CB-CE2 4.04Å; A431-Y440 HydrophobicContact CB-CG 3.74Å
432	Y	98.9	Very high	98.8	Very high	47 Å²	47	31 Å²	31	18%	0.184	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-46.9	171.8	171.1	-107.4	0	0	0	111.6	L428 V429 L434 T435 K436 L441 T499	L428-Y432 PolarHBondContact O-N 3.04Å; V429-Y432 WeakPolarHBondContact O-CB 3.33Å; V429-Y432 PolarHBondContact O-N 2.88Å; Y432-L434 VanDerWaalsContact C-N 3.26Å; Y432-L434 PolarHBondContact O-N 3.37Å; Y432-T435 PolarHBondContact O-N 3.19Å; Y432-K436 WeakPolarHBondContact O-CA 3.46Å; Y432-K436 PolarHBondContact O-N 3.47Å; Y432-L441 HydrophobicContact CD1-CB 4.21Å; Y432-L441 HydrophobicContact CD1-CD1 4.48Å; Y432-L441 HydrophobicContact CD1-CD2 4.24Å; Y432-L441 HydrophobicContact CD2-CB 3.61Å; Y432-L441 HydrophobicContact CD2-CD2 4.34Å; Y432-L441 HydrophobicContact CE1-CD2 3.79Å; Y432-L441 HydrophobicContact CE2-CB 3.95Å; Y432-L441 HydrophobicContact CE2-CD2 3.89Å; Y432-L441 HydrophobicContact CG-CB 3.73Å; Y432-L441 HydrophobicContact CG-CD2 4.49Å; Y432-T499 HydrophobicContact CD1-CG2 3.67Å; Y432-T499 HydrophobicContact CE1-CG2 3.85Å
433	L	98.8	Very high	98.8	Very high	26 Å²	26	31.3 Å²	31.3	14%	0.136	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-34.6	-177.1	-71.8	167.4	0	0	0	112.2	P143 E144 V429 R430 K436 T499	P143-L433 HydrophobicContact CB-CD1 4.17Å; E144-L433 HydrophobicContact CG-CB 4.23Å; E144-L433 HydrophobicContact CG-CD1 3.53Å; E144-L433 HydrophobicContact CG-CD2 4.49Å; E144-L433 HydrophobicContact CG-CG 4.28Å; V429-L433 HydrophobicContact CG1-CD1 3.65Å; V429-L433 HydrophobicContact CG1-CG 4.37Å; V429-L433 WeakPolarHBondContact O-CB 3.37Å; V429-L433 VanDerWaalsContact O-CG 3.28Å; V429-L433 WeakPolarHBondContact O-CG 3.45Å; V429-L433 PolarHBondContact O-N 3.38Å; R430-L433 PolarHBondContact O-N 3.46Å; L433-K436 VanDerWaalsContact O-CE 3.28Å; L433-K436 WeakPolarHBondContact O-CE 3.36Å; L433-K436 PolarHBondContact O-NZ 2.81Å; L433-T499 HydrophobicContact CD1-CG2 4.25Å; L433-T499 HydrophobicContact CD2-CG2 3.73Å; L433-T499 HydrophobicContact CG-CG2 3.99Å
434	L	98.6	Very high	98.8	Very high	88 Å²	88	31.3 Å²	31.3	46%	0.461	17%	0.166	S	C	.	.	H	α-helix	trans	-74.4	-41.5	175.6	-72.4	177.3	0	0	0	114.3	Y195 M376 F379 F380 R430 A431 Y432	Y195-L434 HydrophobicContact CD2-CD1 4.23Å; Y195-L434 HydrophobicContact CE2-CD1 3.63Å; Y195-L434 HydrophobicContact CE2-CG 4.18Å; M376-L434 HydrophobicContact CE-CD1 3.3Å; F379-L434 HydrophobicContact CD1-CD1 4.41Å; F379-L434 HydrophobicContact CE1-CD1 3.9Å; F380-L434 HydrophobicContact CZ-CB 4.45Å; F380-L434 HydrophobicContact CZ-CD1 4.16Å; R430-L434 WeakPolarHBondContact O-CG 3.27Å; R430-L434 PolarHBondContact O-N 3.25Å; R430-L434 VanDerWaalsContact O-N 3.1Å; A431-L434 PolarHBondContact O-N 3.44Å; Y432-L434 VanDerWaalsContact C-N 3.26Å; Y432-L434 PolarHBondContact O-N 3.37Å
435	T	98.6	Very high	98.8	Very high	55 Å²	55	33 Å²	33	34%	0.337	18%	0.175	S	C	.	.	H	α-helix	trans	-104.6	-20.4	-168.2	61.4	0	0	0	0	113.8	F380 A431 Y432 T437 Y440	F380-T435 HydrophobicContact CE1-CG2 3.55Å; F380-T435 HydrophobicContact CZ-CG2 3.6Å; A431-T435 WeakPolarHBondContact O-CB 3.36Å; A431-T435 WeakPolarHBondContact O-CG2 3.34Å; A431-T435 PolarHBondContact O-N 3.34Å; A431-T435 PolarHBondContact O-OG1 2.87Å; Y432-T435 PolarHBondContact O-N 3.19Å; T435-T437 PolarHBondContact O-N 3.49Å; T435-T437 VanDerWaalsContact O-N 3.15Å; T435-T437 WeakPolarHBondContact OG1-CB 3.36Å; T435-T437 PolarHBondContact OG1-N 3.24Å; T435-T437 VanDerWaalsContact OG1-N 3.14Å; T435-T437 PolarHBondContact OG1-OG1 3.12Å; T435-Y440 HydrophobicContact CG2-CE2 4.33Å; T435-Y440 WeakPolarHBondContact OG1-CD2 3.3Å; T435-Y440 WeakPolarHBondContact OG1-CE2 3.39Å
436	K	98.4	Very high	98.8	Very high	125 Å²	125	37.2 Å²	37.2	54%	0.543	19%	0.193	S	C	.	.			trans	54.8	18	-165.2	-49.2	-52.2	-173.5	-164.7	0	113.7	Y432 L433 Q438	Y432-K436 WeakPolarHBondContact O-CA 3.46Å; Y432-K436 PolarHBondContact O-N 3.47Å; L433-K436 VanDerWaalsContact O-CE 3.28Å; L433-K436 WeakPolarHBondContact O-CE 3.36Å; L433-K436 PolarHBondContact O-NZ 2.81Å; K436-Q438 PolarHBondContact O-N 2.89Å
437	T	98.6	Very high	98.8	Very high	67 Å²	67	37.2 Å²	37.2	41%	0.411	19%	0.193	S	C	.	.			trans	-73.8	113.8	177.1	-61.5	0	0	0	0	110.6	T435 A439 Y440	T435-T437 PolarHBondContact O-N 3.49Å; T435-T437 VanDerWaalsContact O-N 3.15Å; T435-T437 WeakPolarHBondContact OG1-CB 3.36Å; T435-T437 PolarHBondContact OG1-N 3.24Å; T435-T437 VanDerWaalsContact OG1-N 3.14Å; T435-T437 PolarHBondContact OG1-OG1 3.12Å; T437-A439 HydrophobicContact CG2-CB 4.12Å; T437-A439 PolarHBondContact O-N 2.87Å; T437-A439 VanDerWaalsContact O-N 3.11Å; T437-Y440 HydrophobicContact CG2-CD2 4.24Å; T437-Y440 HydrophobicContact CG2-CE2 4.23Å; T437-Y440 PolarHBondContact O-N 3.01Å
438	Q	98.4	Very high	98.8	Very high	80 Å²	80	37.3 Å²	37.3	37%	0.374	19%	0.194	S	C	.	.	H	α-helix	trans	-61.2	-25.2	-172.7	-167.3	58.3	37.6	0	0	114.3	K436 Y440 L441 N442	K436-Q438 PolarHBondContact O-N 2.89Å; Q438-Y440 PolarHBondContact O-N 3.33Å; Q438-L441 PolarHBondContact O-N 3.43Å; Q438-N442 PolarHBondContact NE2-OD1 3.28Å; Q438-N442 WeakPolarHBondContact O-CB 3.37Å; Q438-N442 VanDerWaalsContact O-CG 3.25Å; Q438-N442 PolarHBondContact O-N 2.88Å
439	A	98.8	Very high	98.7	Very high	50 Å²	50	38.2 Å²	38.2	41%	0.413	20%	0.203	S	C	.	.	H	α-helix	trans	-56.3	-38.6	177.3	0	0	0	0	0	112.6	T437 A443	T437-A439 HydrophobicContact CG2-CB 4.12Å; T437-A439 PolarHBondContact O-N 2.87Å; T437-A439 VanDerWaalsContact O-N 3.11Å; A439-A443 WeakPolarHBondContact O-CB 3.2Å; A439-A443 PolarHBondContact O-N 3.43Å
440	Y	98.9	Very high	98.7	Very high	23 Å²	23	38.3 Å²	38.3	9%	0.09	20%	0.204	C	C	.	.	H	α-helix	trans	-67.8	-46.2	177.6	-61	-57.5	0	0	0	111.9	D384 V387 L428 A431 T435 T437 Q438 A443 A444	D384-Y440 WeakPolarHBondContact OD1-CE1 3.37Å; D384-Y440 PolarHBondContact OD1-OH 2.92Å; V387-Y440 HydrophobicContact CG2-CD1 3.49Å; V387-Y440 VanDerWaalsContact CG2-CD1 3.49Å; V387-Y440 HydrophobicContact CG2-CE1 3.87Å; L428-Y440 HydrophobicContact CD2-CD1 3.91Å; L428-Y440 WeakPolarHBondContact O-CB 3.28Å; A431-Y440 HydrophobicContact CB-CD1 3.91Å; A431-Y440 HydrophobicContact CB-CD2 3.79Å; A431-Y440 HydrophobicContact CB-CE1 4.17Å; A431-Y440 HydrophobicContact CB-CE2 4.04Å; A431-Y440 HydrophobicContact CB-CG 3.74Å; T435-Y440 HydrophobicContact CG2-CE2 4.33Å; T435-Y440 WeakPolarHBondContact OG1-CD2 3.3Å; T435-Y440 WeakPolarHBondContact OG1-CE2 3.39Å; T437-Y440 HydrophobicContact CG2-CD2 4.24Å; T437-Y440 HydrophobicContact CG2-CE2 4.23Å; T437-Y440 PolarHBondContact O-N 3.01Å; Q438-Y440 PolarHBondContact O-N 3.33Å; Y440-A443 PolarHBondContact O-N 3.33Å; Y440-A444 PolarHBondContact O-N 3.49Å
441	L	98.8	Very high	98.7	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-42	178.3	179.6	57.5	0	0	0	111.6	Y432 Q438 A443 A444 L445 A500	Y432-L441 HydrophobicContact CD1-CB 4.21Å; Y432-L441 HydrophobicContact CD1-CD1 4.48Å; Y432-L441 HydrophobicContact CD1-CD2 4.24Å; Y432-L441 HydrophobicContact CD2-CB 3.61Å; Y432-L441 HydrophobicContact CD2-CD2 4.34Å; Y432-L441 HydrophobicContact CE1-CD2 3.79Å; Y432-L441 HydrophobicContact CE2-CB 3.95Å; Y432-L441 HydrophobicContact CE2-CD2 3.89Å; Y432-L441 HydrophobicContact CG-CB 3.73Å; Y432-L441 HydrophobicContact CG-CD2 4.49Å; Q438-L441 PolarHBondContact O-N 3.43Å; L441-A443 VanDerWaalsContact C-N 3.34Å; L441-A443 PolarHBondContact O-N 3.19Å; L441-A444 PolarHBondContact O-N 3.44Å; L441-L445 HydrophobicContact CD1-CD1 4.33Å; L441-L445 HydrophobicContact CD1-CG 4.25Å; L441-L445 HydrophobicContact CG-CD1 4.08Å; L441-L445 HydrophobicContact CG-CG 4.47Å; L441-L445 WeakPolarHBondContact O-CG 3.3Å; L441-L445 PolarHBondContact O-N 2.97Å; L441-A500 HydrophobicContact CD1-CB 4.09Å
442	N	98.8	Very high	98.7	Very high	86 Å²	86	42.9 Å²	42.9	46%	0.46	22%	0.223	S	C	.	.	H	α-helix	trans	-61.1	-42.6	176.7	-71.1	-6.8	0	0	0	111.7	Q438 L445 K446	Q438-N442 PolarHBondContact NE2-OD1 3.28Å; Q438-N442 WeakPolarHBondContact O-CB 3.37Å; Q438-N442 VanDerWaalsContact O-CG 3.25Å; Q438-N442 PolarHBondContact O-N 2.88Å; N442-L445 PolarHBondContact O-N 3.18Å; N442-K446 WeakPolarHBondContact O-CB 3.28Å; N442-K446 PolarHBondContact O-N 3.24Å
443	A	98.9	Very high	98.7	Very high	6 Å²	6	42.9 Å²	42.9	5%	0.05	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-40.5	175.2	0	0	0	0	0	111.8	V387 Q390 L428 A439 Y440 L441 K446 A447	V387-A443 HydrophobicContact CG2-CB 4.17Å; Q390-A443 PolarHBondContact NE2-O 2.86Å; Q390-A443 PolarHBondContact OE1-O 3.04Å; L428-A443 HydrophobicContact CD1-CB 3.84Å; L428-A443 HydrophobicContact CD2-CB 4.36Å; A439-A443 WeakPolarHBondContact O-CB 3.2Å; A439-A443 PolarHBondContact O-N 3.43Å; Y440-A443 PolarHBondContact O-N 3.33Å; L441-A443 VanDerWaalsContact C-N 3.34Å; L441-A443 PolarHBondContact O-N 3.19Å; A443-K446 PolarHBondContact O-N 3.37Å; A443-A447 PolarHBondContact O-N 3.48Å
444	A	98.9	Very high	98.7	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.6	-42	176.5	0	0	0	0	0	112.4	L428 V429 Y440 L441 A447 V496	L428-A444 HydrophobicContact CB-CB 3.89Å; L428-A444 HydrophobicContact CD1-CB 4.35Å; V429-A444 HydrophobicContact CG2-CB 4.25Å; Y440-A444 PolarHBondContact O-N 3.49Å; L441-A444 PolarHBondContact O-N 3.44Å; A444-A447 WeakPolarHBondContact O-CB 3.19Å; A444-A447 PolarHBondContact O-N 2.97Å; A444-V496 HydrophobicContact CB-CG2 3.91Å
445	L	98.9	Very high	98.6	Very high	36 Å²	36	40.7 Å²	40.7	19%	0.188	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-42.7	174.7	-72.2	168.4	0	0	0	111.7	L441 N442 A447 V448 V496 A500 L504	L441-L445 HydrophobicContact CD1-CD1 4.33Å; L441-L445 HydrophobicContact CD1-CG 4.25Å; L441-L445 HydrophobicContact CG-CD1 4.08Å; L441-L445 HydrophobicContact CG-CG 4.47Å; L441-L445 WeakPolarHBondContact O-CG 3.3Å; L441-L445 PolarHBondContact O-N 2.97Å; N442-L445 PolarHBondContact O-N 3.18Å; L445-A447 PolarHBondContact O-N 2.96Å; L445-V448 WeakPolarHBondContact O-CB 3.32Å; L445-V448 WeakPolarHBondContact O-CG2 3.33Å; L445-V448 PolarHBondContact O-N 3.13Å; L445-V496 HydrophobicContact CD2-CG1 3.81Å; L445-A500 HydrophobicContact CD2-CB 3.89Å; L445-L504 HydrophobicContact CD1-CB 4.12Å; L445-L504 HydrophobicContact CD1-CD1 4.4Å; L445-L504 HydrophobicContact CD2-CB 4.22Å; L445-L504 VanDerWaalsContact CD2-O 3.3Å; L445-L504 WeakPolarHBondContact CD2-O 3.01Å
446	K	98.8	Very high	98.5	Very high	88 Å²	88	42.3 Å²	42.3	38%	0.383	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-31.5	177.3	-161.6	-171.3	-174.4	-172.4	0	112.1	D391 E392 G394 N442 A443 V448 G449	D391-K446 WeakPolarHBondContact O-CE 3.38Å; D391-K446 PolarHBondContact O-NZ 3.17Å; E392-K446 WeakPolarHBondContact O-CE 3.11Å; E392-K446 PolarHBondContact O-NZ 3.45Å; G394-K446 WeakPolarHBondContact CA-O 3.38Å; N442-K446 WeakPolarHBondContact O-CB 3.28Å; N442-K446 PolarHBondContact O-N 3.24Å; A443-K446 PolarHBondContact O-N 3.37Å; K446-V448 PolarHBondContact O-N 3.36Å; K446-G449 PolarHBondContact O-N 3.17Å
447	A	98.8	Very high	98.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.7	-178.9	0	0	0	0	0	115	G394 W396 Q421 M425 A443 A444 L445 G449 P450	G394-A447 WeakPolarHBondContact O-CA 3.44Å; W396-A447 HydrophobicContact CH2-CB 3.66Å; W396-A447 HydrophobicContact CZ3-CB 3.63Å; Q421-A447 PolarHBondContact NE2-O 2.92Å; M425-A447 HydrophobicContact CG-CB 3.58Å; M425-A447 HydrophobicContact SD-CB 4.1Å; A443-A447 PolarHBondContact O-N 3.48Å; A444-A447 WeakPolarHBondContact O-CB 3.19Å; A444-A447 PolarHBondContact O-N 2.97Å; L445-A447 PolarHBondContact O-N 2.96Å; A447-G449 VanDerWaalsContact C-N 3.27Å; A447-P450 WeakPolarHBondContact O-CD 3.22Å
448	V	98.5	Very high	98.3	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-21.4	173.9	-176.5	0	0	0	0	112.1	M425 L445 K446 Y451 L493 E507 A508 L511	M425-V448 HydrophobicContact SD-CG2 4.03Å; L445-V448 WeakPolarHBondContact O-CB 3.32Å; L445-V448 WeakPolarHBondContact O-CG2 3.33Å; L445-V448 PolarHBondContact O-N 3.13Å; K446-V448 PolarHBondContact O-N 3.36Å; V448-Y451 WeakPolarHBondContact O-CB 3.4Å; V448-Y451 PolarHBondContact O-N 2.99Å; V448-Y451 VanDerWaalsContact O-N 3.16Å; V448-L493 HydrophobicContact CG1-CD2 4.39Å; V448-L493 HydrophobicContact CG2-CD2 4.29Å; V448-E507 HydrophobicContact CG1-CG 3.91Å; V448-A508 HydrophobicContact CG2-CB 4.12Å; V448-L511 HydrophobicContact CG1-CD1 3.21Å
449	G	98.5	Very high	98.3	Very high	19 Å²	19	39.4 Å²	39.4	20%	0.196	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-45.6	-57.7	-177.4	0	0	0	0	0	115	K446 A447 Y451 K452	K446-G449 PolarHBondContact O-N 3.17Å; A447-G449 VanDerWaalsContact C-N 3.27Å; G449-Y451 PolarHBondContact O-N 3.06Å; G449-Y451 VanDerWaalsContact O-N 3.14Å; G449-K452 PolarHBondContact O-N 2.77Å
450	P	98.8	Very high	98.3	Very high	3 Å²	3	37 Å²	37	2%	0.019	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-60.3	-24.9	-176.5	-28.4	37.7	0	0	0	115.3	Y416 Q421 A447 K452 V453 V460	Y416-P450 HydrophobicContact CD2-CB 4.01Å; Y416-P450 HydrophobicContact CD2-CG 4.03Å; Y416-P450 HydrophobicContact CE2-CG 4.28Å; Y416-P450 HydrophobicContact CG-CG 4.44Å; Q421-P450 HydrophobicContact CG-CB 4.45Å; Q421-P450 HydrophobicContact CG-CG 4.36Å; A447-P450 WeakPolarHBondContact O-CD 3.22Å; P450-K452 PolarHBondContact O-N 3.39Å; P450-V453 PolarHBondContact O-N 3.15Å; P450-V460 HydrophobicContact CB-CG1 4.22Å; P450-V460 HydrophobicContact CB-CG2 4.21Å; P450-V460 PolarHBondContact O-N 3.43Å
451	Y	98.8	Very high	98.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-68	-19.2	-179.3	-69.8	-97.6	0	0	0	113.5	A418 Q421 G422 M425 V448 G449 V460 K461 Y471 S489 L493	A418-Y451 HydrophobicContact CB-CE1 4.22Å; A418-Y451 PolarHBondContact O-OH 2.91Å; Q421-Y451 HydrophobicContact CB-CE2 3.45Å; Q421-Y451 VanDerWaalsContact CB-CE2 3.45Å; Q421-Y451 WeakPolarHBondContact CB-OH 3.37Å; Q421-Y451 HydrophobicContact CG-CE2 4.04Å; G422-Y451 PolarHBondContact N-OH 3.28Å; M425-Y451 HydrophobicContact CE-CE2 3.58Å; M425-Y451 WeakPolarHBondContact CE-OH 3.18Å; V448-Y451 WeakPolarHBondContact O-CB 3.4Å; V448-Y451 PolarHBondContact O-N 2.99Å; V448-Y451 VanDerWaalsContact O-N 3.16Å; G449-Y451 PolarHBondContact O-N 3.06Å; G449-Y451 VanDerWaalsContact O-N 3.14Å; Y451-V460 HydrophobicContact CD1-CG2 4.19Å; Y451-V460 HydrophobicContact CG-CG2 4.18Å; Y451-K461 WeakPolarHBondContact O-CD 3.47Å; Y451-Y471 AromaticContact CD1-CD1 3.67Å; Y451-Y471 HydrophobicContact CD1-CD1 3.67Å; Y451-Y471 AromaticContact CD1-CD2 3.67Å; Y451-Y471 HydrophobicContact CD1-CD2 3.67Å; Y451-Y471 HydrophobicContact CD1-CE1 4.14Å; Y451-Y471 HydrophobicContact CD1-CE2 4.13Å; Y451-Y471 AromaticContact CD1-CG 3.44Å; Y451-Y471 HydrophobicContact CD1-CG 3.44Å; Y451-Y471 VanDerWaalsContact CD1-CG 3.44Å; Y451-Y471 HydrophobicContact CE1-CD1 4.45Å; Y451-Y471 AromaticContact CE1-CD2 3.78Å; Y451-Y471 HydrophobicContact CE1-CD2 3.78Å; Y451-Y471 HydrophobicContact CE1-CE2 4.5Å; Y451-Y471 AromaticContact CE1-CG 3.77Å; Y451-Y471 HydrophobicContact CE1-CG 3.77Å; Y451-S489 WeakPolarHBondContact OH-CB 3.48Å; Y451-L493 HydrophobicContact CD1-CD1 4.04Å; Y451-L493 HydrophobicContact CD2-CD2 4.46Å; Y451-L493 HydrophobicContact CE1-CD1 3.87Å; Y451-L493 HydrophobicContact CE1-CG 4.26Å; Y451-L493 HydrophobicContact CE2-CD2 4.38Å
452	K	98.4	Very high	98.3	Very high	95 Å²	95	38 Å²	38	41%	0.413	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-88	-13.6	-178.7	-63.3	177.4	-72.7	-172.3	0	112.7	G449 P450 E507 L511	G449-K452 PolarHBondContact O-N 2.77Å; P450-K452 PolarHBondContact O-N 3.39Å; K452-E507 HydrophobicContact CD-CG 4.32Å; K452-E507 WeakPolarHBondContact CD-OE1 3.38Å; K452-E507 WeakPolarHBondContact CE-OE1 3.34Å; K452-E507 IonicContact NZ-OE1 3.35Å; K452-E507 PolarHBondContact NZ-OE1 3.33Å; K452-E507 IonicContact NZ-OE2 3.81Å; K452-E507 PolarHBondContact NZ-OE2 3.19Å; K452-L511 HydrophobicContact CG-CD1 4.43Å
453	V	98.6	Very high	98.3	Very high	47 Å²	47	36.6 Å²	36.6	29%	0.285	21%	0.205	S	C	.	.	S	Bend	trans	-108.5	132.9	-170	-178	0	0	0	0	109.4	P450 Q457 G459 V460 K461	P450-V453 PolarHBondContact O-N 3.15Å; V453-Q457 HydrophobicContact CG1-CB 3.67Å; V453-Q457 WeakPolarHBondContact CG1-O 3.42Å; V453-G459 CarbonylContact O-C 3.25Å; V453-G459 VanDerWaalsContact O-CA 3.3Å; V453-G459 WeakPolarHBondContact O-CA 3.3Å; V453-V460 PolarHBondContact O-N 3.27Å; V453-K461 VanDerWaalsContact O-CB 3.22Å; V453-K461 WeakPolarHBondContact O-CB 3.49Å; V453-K461 PolarHBondContact O-N 3.33Å
454	P	98.5	Very high	98.3	Very high	51 Å²	51	36.9 Å²	36.9	33%	0.331	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-58.2	150	173.7	-25.1	34.7	0	0	0	112.9	A456 Q457 G459 K461	P454-A456 VanDerWaalsContact C-N 3.26Å; P454-A456 PolarHBondContact O-N 3.12Å; P454-Q457 CarbonylContact O-C 3.51Å; P454-Q457 WeakPolarHBondContact O-CA 3.44Å; P454-Q457 PolarHBondContact O-N 3.21Å; P454-G459 PolarHBondContact O-N 2.97Å; P454-G459 VanDerWaalsContact O-N 3.1Å; P454-K461 CarbonylContact C-O 3.47Å; P454-K461 WeakPolarHBondContact CA-O 3.47Å
455	S	97.1	Very high	98.3	Very high	17 Å²	17	43 Å²	43	12%	0.119	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-51.5	-43.5	177.7	-63.3	0	0	0	0	112.8	Q457 H458 K461 P475	S455-Q457 PolarHBondContact O-N 3.14Å; S455-Q457 VanDerWaalsContact O-N 3.15Å; S455-H458 PolarHBondContact O-N 2.8Å; S455-K461 PolarHBondContact N-O 3.14Å; S455-K461 PolarHBondContact OG-O 3.37Å; S455-K461 VanDerWaalsContact OG-O 3.08Å; S455-P475 WeakPolarHBondContact OG-CB 3.04Å
456	A	95.4	Very high	98.2	Very high	90 Å²	90	48.9 Å²	48.9	74%	0.744	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-65.6	-15.5	178.2	0	0	0	0	0	114.6	P454	P454-A456 VanDerWaalsContact C-N 3.26Å; P454-A456 PolarHBondContact O-N 3.12Å
457	Q	97.3	Very high	98.2	Very high	130 Å²	130	51.6 Å²	51.6	61%	0.607	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-110.3	26.6	-179.3	-63.9	176.6	8.6	0	0	111.6	V453 P454 S455 G459	V453-Q457 HydrophobicContact CG1-CB 3.67Å; V453-Q457 WeakPolarHBondContact CG1-O 3.42Å; P454-Q457 CarbonylContact O-C 3.51Å; P454-Q457 WeakPolarHBondContact O-CA 3.44Å; P454-Q457 PolarHBondContact O-N 3.21Å; S455-Q457 PolarHBondContact O-N 3.14Å; S455-Q457 VanDerWaalsContact O-N 3.15Å; Q457-G459 VanDerWaalsContact C-N 3.35Å
458	H	97.4	Very high	98.2	Very high	78 Å²	78	54 Å²	54	36%	0.361	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	35.3	-179.8	-154.8	76.2	0	0	0	113.4	G414 Y416 S455	G414-H458 PolarHBondContact O-CE1 3.39Å; G414-H458 PolarHBondContact O-NE2 3.27Å; Y416-H458 VanDerWaalsContact CD2-O 3.32Å; Y416-H458 WeakPolarHBondContact CD2-O 3.44Å; Y416-H458 AromaticContact CE2-CD2 3.39Å; Y416-H458 WeakPolarHBondContact CE2-CD2 3.27Å; Y416-H458 AromaticContact CE2-NE2 3.69Å; Y416-H458 VanDerWaalsContact CE2-O 3.3Å; Y416-H458 WeakPolarHBondContact CE2-O 3.13Å; Y416-H458 AromaticContact CZ-CD2 3.78Å; Y416-H458 AromaticContact CZ-NE2 3.65Å; S455-H458 PolarHBondContact O-N 2.8Å
459	G	98.4	Very high	98.2	Very high	2 Å²	2	55.1 Å²	55.1	2%	0.021	29%	0.294	C	S	.	.	S	Bend	trans	-114	-162.2	168.1	0	0	0	0	0	112.3	V453 P454 Q457	V453-G459 CarbonylContact O-C 3.25Å; V453-G459 VanDerWaalsContact O-CA 3.3Å; V453-G459 WeakPolarHBondContact O-CA 3.3Å; P454-G459 PolarHBondContact O-N 2.97Å; P454-G459 VanDerWaalsContact O-N 3.1Å; Q457-G459 VanDerWaalsContact C-N 3.35Å
460	V	98.8	Very high	98.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.285	C	S	.	.			trans	-123	5.8	178.5	-57	0	0	0	0	113.2	A418 P450 Y451 V453 Y471 E472	A418-V460 HydrophobicContact CB-CB 4.11Å; A418-V460 HydrophobicContact CB-CG2 3.94Å; P450-V460 HydrophobicContact CB-CG1 4.22Å; P450-V460 HydrophobicContact CB-CG2 4.21Å; P450-V460 PolarHBondContact O-N 3.43Å; Y451-V460 HydrophobicContact CD1-CG2 4.19Å; Y451-V460 HydrophobicContact CG-CG2 4.18Å; V453-V460 PolarHBondContact O-N 3.27Å; V460-Y471 CarbonylContact O-C 3.53Å; V460-Y471 WeakPolarHBondContact O-CA 3.12Å; V460-E472 PolarHBondContact O-N 2.79Å
461	K	98.8	Very high	98.2	Very high	42 Å²	42	54.1 Å²	54.1	18%	0.183	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	133	-178.3	-158.9	173.1	81.3	73.3	0	111.7	Y451 V453 P454 S455 D469 W470	Y451-K461 WeakPolarHBondContact O-CD 3.47Å; V453-K461 VanDerWaalsContact O-CB 3.22Å; V453-K461 WeakPolarHBondContact O-CB 3.49Å; V453-K461 PolarHBondContact O-N 3.33Å; P454-K461 CarbonylContact C-O 3.47Å; P454-K461 WeakPolarHBondContact CA-O 3.47Å; S455-K461 PolarHBondContact N-O 3.14Å; S455-K461 PolarHBondContact OG-O 3.37Å; S455-K461 VanDerWaalsContact OG-O 3.08Å; K461-D469 IonicContact NZ-OD1 2.81Å; K461-D469 PolarHBondContact NZ-OD1 3.1Å; K461-W470 CarbonylContact C-O 3.53Å; K461-W470 WeakPolarHBondContact CA-O 3.32Å
462	A	98.8	Very high	98.2	Very high	6 Å²	6	54.1 Å²	54.1	5%	0.05	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	168	164.3	0	0	0	0	0	109.4	W470 E472 S479 F481	A462-W470 HydrophobicContact CB-CB 4.33Å; A462-W470 PolarHBondContact N-O 3.18Å; A462-W470 PolarHBondContact O-N 2.85Å; A462-E472 HydrophobicContact CB-CG 3.64Å; A462-E472 WeakPolarHBondContact CB-OE1 3.26Å; A462-S479 WeakPolarHBondContact CB-OG 3.42Å; A462-F481 HydrophobicContact CB-CE1 4.01Å; A462-F481 HydrophobicContact CB-CZ 4.28Å
463	V	98.8	Very high	98.2	Very high	56 Å²	56	49.8 Å²	49.8	34%	0.339	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	114.6	174.8	-174.3	0	0	0	0	108.3	M465 Y468	V463-M465 PolarHBondContact O-N 3.14Å; V463-Y468 CarbonylContact C-O 3.49Å; V463-Y468 WeakPolarHBondContact CA-O 3.35Å
464	F	98.7	Very high	98.2	Very high	13 Å²	13	47.9 Å²	47.9	6%	0.057	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	122.2	176.3	-175.1	-100.9	0	0	0	109.8	N466 K467 Y468 F481 M522 L525 L536 F539	F464-N466 PolarHBondContact O-N 3.2Å; F464-N466 VanDerWaalsContact O-N 3.14Å; F464-K467 PolarHBondContact O-N 2.91Å; F464-Y468 HydrophobicContact CD1-CD2 4.17Å; F464-Y468 PolarHBondContact N-O 3.36Å; F464-Y468 PolarHBondContact O-N 3.41Å; F464-Y468 VanDerWaalsContact O-N 3.1Å; F464-F481 HydrophobicContact CB-CD1 4.32Å; F464-F481 HydrophobicContact CB-CE1 3.65Å; F464-F481 HydrophobicContact CB-CZ 3.93Å; F464-F481 HydrophobicContact CD2-CD1 4.4Å; F464-F481 HydrophobicContact CD2-CD2 4.3Å; F464-F481 HydrophobicContact CD2-CE1 4.13Å; F464-F481 AromaticContact CD2-CE2 3.99Å; F464-F481 HydrophobicContact CD2-CE2 3.99Å; F464-F481 AromaticContact CD2-CZ 3.91Å; F464-F481 HydrophobicContact CD2-CZ 3.91Å; F464-F481 HydrophobicContact CG-CE1 4.39Å; F464-F481 HydrophobicContact CG-CZ 4.44Å; F464-M522 HydrophobicContact CB-CE 3.62Å; F464-M522 HydrophobicContact CB-SD 3.74Å; F464-M522 HydrophobicContact CD1-CE 3.95Å; F464-M522 HydrophobicContact CD1-CG 4.32Å; F464-M522 HydrophobicContact CD1-SD 4.1Å; F464-M522 HydrophobicContact CD2-CE 3.74Å; F464-M522 HydrophobicContact CE2-CE 4.39Å; F464-M522 HydrophobicContact CG-CE 3.49Å; F464-M522 VanDerWaalsContact CG-CE 3.49Å; F464-M522 HydrophobicContact CG-SD 3.98Å; F464-L525 HydrophobicContact CE1-CD1 3.86Å; F464-L525 HydrophobicContact CE2-CD1 4.45Å; F464-L525 HydrophobicContact CZ-CD1 3.68Å; F464-L536 HydrophobicContact CD2-CD1 4.21Å; F464-L536 HydrophobicContact CE2-CD1 3.85Å; F464-L536 HydrophobicContact CZ-CD1 4.44Å; F464-F539 AromaticContact CE2-CD1 3.74Å; F464-F539 HydrophobicContact CE2-CD1 3.74Å; F464-F539 AromaticContact CE2-CE1 3.75Å; F464-F539 HydrophobicContact CE2-CE1 3.75Å; F464-F539 HydrophobicContact CZ-CD1 4.05Å; F464-F539 AromaticContact CZ-CE1 3.77Å; F464-F539 HydrophobicContact CZ-CE1 3.77Å; F464-F539 HydrophobicContact CZ-CZ 4.23Å
465	M	97.4	Very high	98.2	Very high	127 Å²	127	46 Å²	46	63%	0.626	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.2	42.4	177.5	-59.7	-172.2	76.3	0	0	114	V463 K467 F539	V463-M465 PolarHBondContact O-N 3.14Å; M465-K467 PolarHBondContact O-N 3.01Å; M465-F539 HydrophobicContact CE-CZ 4.25Å; M465-F539 HydrophobicContact CG-CE1 4.25Å; M465-F539 HydrophobicContact CG-CZ 4.43Å; M465-F539 HydrophobicContact SD-CE1 4.14Å; M465-F539 HydrophobicContact SD-CZ 3.77Å
466	N	97.8	Very high	98.3	Very high	161 Å²	161	45.2 Å²	45.2	86%	0.861	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	19.6	-178.7	-59.4	-38.6	0	0	0	115	F464	F464-N466 PolarHBondContact O-N 3.2Å; F464-N466 VanDerWaalsContact O-N 3.14Å
467	K	98.2	Very high	98.3	Very high	145 Å²	145	44.1 Å²	44.1	63%	0.63	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.2	-50.2	-173.8	-173.4	172.4	-179.9	-174	0	113.9	F464 M465	F464-K467 PolarHBondContact O-N 2.91Å; M465-K467 PolarHBondContact O-N 3.01Å
468	Y	98.6	Very high	98.3	Very high	51 Å²	51	40 Å²	40	20%	0.2	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	116.9	-169.8	-60.3	-68.1	0	0	0	111	V463 F464 S518 A521 M522	V463-Y468 CarbonylContact C-O 3.49Å; V463-Y468 WeakPolarHBondContact CA-O 3.35Å; F464-Y468 HydrophobicContact CD1-CD2 4.17Å; F464-Y468 PolarHBondContact N-O 3.36Å; F464-Y468 PolarHBondContact O-N 3.41Å; F464-Y468 VanDerWaalsContact O-N 3.1Å; Y468-S518 WeakPolarHBondContact CB-OG 3.39Å; Y468-A521 HydrophobicContact CD1-CB 4Å; Y468-A521 HydrophobicContact CE1-CB 3.44Å; Y468-A521 VanDerWaalsContact CE1-CB 3.44Å; Y468-A521 HydrophobicContact CE2-CB 4.04Å; Y468-A521 VanDerWaalsContact CZ-CB 3.44Å; Y468-M522 HydrophobicContact CD2-CG 4.28Å; Y468-M522 HydrophobicContact CG-CG 4.48Å; Y468-M522 HydrophobicContact CG-SD 4.4Å
469	D	98.8	Very high	98.4	Very high	25 Å²	25	37.6 Å²	37.6	13%	0.134	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	134.7	173	-88.4	-22.7	0	0	0	109.7	K461 R514 S518	K461-D469 IonicContact NZ-OD1 2.81Å; K461-D469 PolarHBondContact NZ-OD1 3.1Å; D469-R514 IonicContact OD2-CZ 2.85Å; D469-R514 IonicContact OD2-NH1 3.56Å; D469-R514 PolarHBondContact OD2-NH1 2.78Å; D469-S518 PolarHBondContact N-OG 3.36Å; D469-S518 WeakPolarHBondContact O-CB 3.22Å; D469-S518 PolarHBondContact O-OG 2.94Å
470	W	98.9	Very high	98.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147	177.3	-168.3	-90.4	0	0	0	110.7	K461 A462 F481 L483 F486 M522 F526	K461-W470 CarbonylContact C-O 3.53Å; K461-W470 WeakPolarHBondContact CA-O 3.32Å; A462-W470 HydrophobicContact CB-CB 4.33Å; A462-W470 PolarHBondContact N-O 3.18Å; A462-W470 PolarHBondContact O-N 2.85Å; W470-F481 HydrophobicContact CB-CD1 3.76Å; W470-F481 HydrophobicContact CB-CE1 3.79Å; W470-F481 AromaticContact CD1-CD1 3.7Å; W470-F481 AromaticContact CD2-CD1 3.86Å; W470-F481 HydrophobicContact CD2-CD1 3.86Å; W470-F481 HydrophobicContact CE3-CD1 4.49Å; W470-F481 AromaticContact CG-CD1 3.51Å; W470-F481 HydrophobicContact CG-CD1 3.51Å; W470-F481 HydrophobicContact CG-CE1 4.07Å; W470-F481 HydrophobicContact CZ2-CB 4.41Å; W470-L483 HydrophobicContact CH2-CD1 3.98Å; W470-F486 HydrophobicContact CD2-CB 4.22Å; W470-F486 AromaticContact CD2-CD1 3.8Å; W470-F486 HydrophobicContact CD2-CD1 3.8Å; W470-F486 AromaticContact CD2-CD2 3.83Å; W470-F486 HydrophobicContact CD2-CD2 3.83Å; W470-F486 AromaticContact CD2-CE1 4Å; W470-F486 HydrophobicContact CD2-CE1 4Å; W470-F486 HydrophobicContact CD2-CE2 4.04Å; W470-F486 AromaticContact CD2-CG 3.69Å; W470-F486 HydrophobicContact CD2-CG 3.69Å; W470-F486 HydrophobicContact CD2-CZ 4.11Å; W470-F486 VanDerWaalsContact CE2-CB 3.42Å; W470-F486 AromaticContact CE2-CD1 3.72Å; W470-F486 AromaticContact CE2-CD2 3.9Å; W470-F486 AromaticContact CE2-CG 3.41Å; W470-F486 VanDerWaalsContact CE2-CG 3.41Å; W470-F486 AromaticContact CE3-CD1 3.6Å; W470-F486 HydrophobicContact CE3-CD1 3.6Å; W470-F486 HydrophobicContact CE3-CD2 4.29Å; W470-F486 AromaticContact CE3-CE1 3.46Å; W470-F486 HydrophobicContact CE3-CE1 3.46Å; W470-F486 VanDerWaalsContact CE3-CE1 3.46Å; W470-F486 HydrophobicContact CE3-CE2 4.2Å; W470-F486 AromaticContact CE3-CG 3.99Å; W470-F486 HydrophobicContact CE3-CG 3.99Å; W470-F486 AromaticContact CE3-CZ 3.78Å; W470-F486 HydrophobicContact CE3-CZ 3.78Å; W470-F486 HydrophobicContact CG-CD2 4.05Å; W470-F486 HydrophobicContact CG-CE2 4.21Å; W470-F486 HydrophobicContact CG-CG 4.35Å; W470-F486 HydrophobicContact CH2-CB 4.05Å; W470-F486 AromaticContact CH2-CD1 3.31Å; W470-F486 HydrophobicContact CH2-CD1 3.31Å; W470-F486 AromaticContact CH2-CE1 3.9Å; W470-F486 HydrophobicContact CH2-CE1 3.9Å; W470-F486 AromaticContact CH2-CG 3.87Å; W470-F486 HydrophobicContact CH2-CG 3.87Å; W470-F486 HydrophobicContact CZ2-CB 3.34Å; W470-F486 AromaticContact CZ2-CD1 3.51Å; W470-F486 HydrophobicContact CZ2-CD1 3.51Å; W470-F486 HydrophobicContact CZ2-CD2 4.45Å; W470-F486 HydrophobicContact CZ2-CE1 4.37Å; W470-F486 AromaticContact CZ2-CG 3.53Å; W470-F486 HydrophobicContact CZ2-CG 3.53Å; W470-F486 AromaticContact CZ3-CD1 3.34Å; W470-F486 HydrophobicContact CZ3-CD1 3.34Å; W470-F486 AromaticContact CZ3-CE1 3.41Å; W470-F486 HydrophobicContact CZ3-CE1 3.41Å; W470-F486 VanDerWaalsContact CZ3-CE1 3.41Å; W470-F486 HydrophobicContact CZ3-CG 4.08Å; W470-F486 HydrophobicContact CZ3-CZ 4.2Å; W470-F486 AromaticContact NE1-CG 3.85Å; W470-M522 HydrophobicContact CD2-CE 4.42Å; W470-M522 HydrophobicContact CE3-CE 3.7Å; W470-M522 HydrophobicContact CE3-SD 3.62Å; W470-M522 HydrophobicContact CZ3-CB 4.25Å; W470-M522 HydrophobicContact CZ3-CE 3.77Å; W470-M522 HydrophobicContact CZ3-SD 3.82Å; W470-F526 AromaticContact CH2-CE2 3.87Å; W470-F526 HydrophobicContact CH2-CE2 3.87Å; W470-F526 AromaticContact CH2-CZ 3.79Å; W470-F526 HydrophobicContact CH2-CZ 3.79Å; W470-F526 HydrophobicContact CZ2-CZ 4.11Å; W470-F526 HydrophobicContact CZ3-CE2 4.49Å
471	Y	98.9	Very high	98.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	108.4	179.5	-44	-47.6	0	0	0	109.3	A418 Y451 V460 F486 S489 L490 L493 L511	A418-Y471 VanDerWaalsContact CB-C 3.46Å; A418-Y471 WeakPolarHBondContact CB-O 3.31Å; Y451-Y471 AromaticContact CD1-CD1 3.67Å; Y451-Y471 HydrophobicContact CD1-CD1 3.67Å; Y451-Y471 AromaticContact CD1-CD2 3.67Å; Y451-Y471 HydrophobicContact CD1-CD2 3.67Å; Y451-Y471 HydrophobicContact CD1-CE1 4.14Å; Y451-Y471 HydrophobicContact CD1-CE2 4.13Å; Y451-Y471 AromaticContact CD1-CG 3.44Å; Y451-Y471 HydrophobicContact CD1-CG 3.44Å; Y451-Y471 VanDerWaalsContact CD1-CG 3.44Å; Y451-Y471 HydrophobicContact CE1-CD1 4.45Å; Y451-Y471 AromaticContact CE1-CD2 3.78Å; Y451-Y471 HydrophobicContact CE1-CD2 3.78Å; Y451-Y471 HydrophobicContact CE1-CE2 4.5Å; Y451-Y471 AromaticContact CE1-CG 3.77Å; Y451-Y471 HydrophobicContact CE1-CG 3.77Å; V460-Y471 CarbonylContact O-C 3.53Å; V460-Y471 WeakPolarHBondContact O-CA 3.12Å; Y471-F486 AromaticContact CD2-CD2 3.95Å; Y471-F486 HydrophobicContact CD2-CD2 3.95Å; Y471-F486 AromaticContact CD2-CE2 3.45Å; Y471-F486 HydrophobicContact CD2-CE2 3.45Å; Y471-F486 VanDerWaalsContact CD2-CE2 3.45Å; Y471-F486 HydrophobicContact CE2-CE2 4.05Å; Y471-F486 HydrophobicContact CG-CD2 4.11Å; Y471-F486 AromaticContact CG-CE2 3.8Å; Y471-F486 HydrophobicContact CG-CE2 3.8Å; Y471-F486 VanDerWaalsContact N-CE2 3.27Å; Y471-S489 WeakPolarHBondContact CD2-OG 3.45Å; Y471-L490 HydrophobicContact CD2-CD2 3.82Å; Y471-L490 HydrophobicContact CE2-CD2 3.66Å; Y471-L493 HydrophobicContact CD2-CD1 4.12Å; Y471-L493 HydrophobicContact CE2-CD1 3.72Å; Y471-L511 HydrophobicContact CE1-CD2 4.08Å; Y471-L511 WeakPolarHBondContact OH-CA 3.41Å; Y471-L511 WeakPolarHBondContact OH-CD2 3.42Å; Y471-L511 PolarHBondContact OH-O 3.02Å
472	E	98.8	Very high	98.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.			trans	-75.2	127.6	-167.6	-70.2	-75.7	131.9	0	0	112.4	A418 V460 A462 Y474 P475 S480 F481	A418-E472 WeakPolarHBondContact CB-O 3.23Å; A418-E472 PolarHBondContact N-O 3.42Å; V460-E472 PolarHBondContact O-N 2.79Å; A462-E472 HydrophobicContact CB-CG 3.64Å; A462-E472 WeakPolarHBondContact CB-OE1 3.26Å; E472-Y474 VanDerWaalsContact C-N 3.25Å; E472-P475 HydrophobicContact CB-CB 4.27Å; E472-S480 PolarHBondContact OE2-N 2.84Å; E472-S480 PolarHBondContact OE2-OG 2.85Å; E472-F481 PolarHBondContact OE1-N 2.69Å; E472-F481 VanDerWaalsContact OE1-N 3.1Å; E472-F481 PolarHBondContact OE2-N 2.68Å
473	E	98.7	Very high	98.4	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.019	18%	0.184	C	C	.	.	S	Bend	trans	-60.6	-41.7	163.5	-171.8	176.5	137.9	0	0	110.5	S417 M419 V482 N484 G485 Y534	S417-E473 WeakPolarHBondContact CB-O 3.29Å; S417-E473 PolarHBondContact OG-O 2.89Å; M419-E473 HydrophobicContact CB-CG 4.06Å; M419-E473 HydrophobicContact SD-CG 4.3Å; E473-V482 HydrophobicContact CB-CB 3.96Å; E473-V482 HydrophobicContact CB-CG1 4.31Å; E473-V482 HydrophobicContact CB-CG2 4.36Å; E473-V482 VanDerWaalsContact OE2-CG1 3.25Å; E473-V482 WeakPolarHBondContact OE2-CG1 3.24Å; E473-N484 PolarHBondContact OE2-ND2 3.29Å; E473-G485 VanDerWaalsContact OE2-CA 3.26Å; E473-G485 WeakPolarHBondContact OE2-CA 3.44Å; E473-G485 PolarHBondContact OE2-N 2.9Å; E473-Y534 PolarHBondContact OE1-OH 3.2Å
474	Y	98.6	Very high	98.4	Very high	8 Å²	8	32.7 Å²	32.7	3%	0.031	17%	0.168	C	C	.	.	S	Bend	trans	-124.9	105.9	176.1	-54.3	-72.2	0	0	0	107.8	W176 R402 L404 W415 E472 T476 S480 V482	W176-Y474 AromaticContact CH2-CE1 3.76Å; W176-Y474 HydrophobicContact CH2-CE1 3.76Å; W176-Y474 AromaticContact CZ2-CE1 3.75Å; W176-Y474 HydrophobicContact CZ2-CE1 3.75Å; R402-Y474 HydrophobicContact CG-CD1 4.2Å; R402-Y474 HydrophobicContact CG-CE1 4.38Å; L404-Y474 HydrophobicContact CD1-CD2 3.75Å; L404-Y474 HydrophobicContact CD1-CE2 3.99Å; L404-Y474 HydrophobicContact CD1-CG 4.17Å; L404-Y474 HydrophobicContact CD2-CD2 4.19Å; L404-Y474 HydrophobicContact CD2-CG 4.44Å; W415-Y474 AromaticContact CH2-CD1 3.66Å; W415-Y474 HydrophobicContact CH2-CD1 3.66Å; W415-Y474 AromaticContact CH2-CE1 3.95Å; W415-Y474 HydrophobicContact CH2-CE1 3.95Å; W415-Y474 AromaticContact CZ3-CD1 3.85Å; W415-Y474 HydrophobicContact CZ3-CD1 3.85Å; W415-Y474 HydrophobicContact CZ3-CE1 4.47Å; E472-Y474 VanDerWaalsContact C-N 3.25Å; Y474-T476 PolarHBondContact O-N 3.2Å; Y474-S480 PolarHBondContact O-OG 2.83Å; Y474-V482 HydrophobicContact CD2-CG2 3.69Å; Y474-V482 HydrophobicContact CE2-CG2 4Å
475	P	98.4	Very high	98.4	Very high	10 Å²	10	32.1 Å²	32.1	7%	0.065	17%	0.166	C	C	.	.			trans	-74	61.5	-175.8	32.5	-38.5	0	0	0	111.9	L411 W415 Y416 S455 E472	L411-P475 HydrophobicContact CD2-CG 4.39Å; L411-P475 WeakPolarHBondContact CD2-O 3.14Å; W415-P475 HydrophobicContact CB-CG 4.39Å; W415-P475 HydrophobicContact CE3-CG 4.27Å; Y416-P475 WeakPolarHBondContact O-CD 3.31Å; Y416-P475 WeakPolarHBondContact O-CG 3.27Å; S455-P475 WeakPolarHBondContact OG-CB 3.04Å; E472-P475 HydrophobicContact CB-CB 4.27Å
476	T	98.1	Very high	98.4	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.136	C	C	.	.			trans	-78.5	163.1	-174.6	56.4	0	0	0	0	112.6	L404 F408 L411 Y474 P478 S479 S480	L404-T476 HydrophobicContact CB-CG2 4.19Å; L404-T476 HydrophobicContact CD2-CG2 3.9Å; F408-T476 HydrophobicContact CB-CG2 4.38Å; F408-T476 HydrophobicContact CD1-CG2 4.36Å; F408-T476 WeakPolarHBondContact CD1-OG1 3.26Å; F408-T476 HydrophobicContact CG-CG2 4.46Å; L411-T476 HydrophobicContact CD1-CG2 4.08Å; L411-T476 HydrophobicContact CD2-CG2 4.14Å; L411-T476 HydrophobicContact CG-CG2 4.15Å; Y474-T476 PolarHBondContact O-N 3.2Å; T476-P478 CarbonylContact C-O 3.5Å; T476-P478 VanDerWaalsContact CB-O 3.32Å; T476-P478 WeakPolarHBondContact CB-O 3.41Å; T476-P478 CarbonylContact O-C 3.55Å; T476-P478 VanDerWaalsContact O-C 3.25Å; T476-P478 VanDerWaalsContact O-O 3.11Å; T476-P478 PolarHBondContact OG1-O 3.36Å; T476-S479 WeakPolarHBondContact O-CA 3.5Å; T476-S479 PolarHBondContact O-N 2.95Å; T476-S480 WeakPolarHBondContact OG1-CB 3.47Å; T476-S480 PolarHBondContact OG1-N 2.93Å
477	T	96.9	Very high	98.5	Very high	68 Å²	68	18.4 Å²	18.4	42%	0.417	10%	0.095	S	C	.	.	S	Bend	trans	-121.2	118.2	166.6	-59.5	0	0	0	0	108.7	R409	R409-T477 PolarHBondContact N-O 2.99Å; R409-T477 VanDerWaalsContact N-O 3.12Å
478	P	97.6	Very high	98.5	Very high	44 Å²	44	11.8 Å²	11.8	29%	0.286	7%	0.066	S	C	.	.	S	Bend	cis	-63.7	167.6	-8.7	30.1	-34.9	0	0	0	112.5	F408 T476 M540 L541	F408-P478 HydrophobicContact CD1-CG 4.22Å; F408-P478 WeakPolarHBondContact CD1-O 3.11Å; F408-P478 HydrophobicContact CE1-CG 4.12Å; F408-P478 VanDerWaalsContact CE1-O 3.22Å; F408-P478 WeakPolarHBondContact CE1-O 3.22Å; T476-P478 CarbonylContact C-O 3.5Å; T476-P478 VanDerWaalsContact CB-O 3.32Å; T476-P478 WeakPolarHBondContact CB-O 3.41Å; T476-P478 CarbonylContact O-C 3.55Å; T476-P478 VanDerWaalsContact O-C 3.25Å; T476-P478 VanDerWaalsContact O-O 3.11Å; T476-P478 PolarHBondContact OG1-O 3.36Å; P478-M540 HydrophobicContact CB-CE 4.35Å; P478-L541 HydrophobicContact CG-CD2 3.48Å; P478-L541 VanDerWaalsContact CG-CD2 3.48Å
479	S	98.1	Very high	98.5	Very high	26 Å²	26	9.3 Å²	9.3	18%	0.182	6%	0.056	C	C	.	.			trans	-63.7	147.2	-179.8	-59.1	0	0	0	0	112.2	A462 T476 F481 M540	A462-S479 WeakPolarHBondContact CB-OG 3.42Å; T476-S479 WeakPolarHBondContact O-CA 3.5Å; T476-S479 PolarHBondContact O-N 2.95Å; S479-F481 VanDerWaalsContact CB-CE2 3.41Å; S479-M540 WeakPolarHBondContact O-CG 3.41Å
480	S	97.8	Very high	98.5	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.05	C	C	.	.			trans	-100.1	-31.3	-171.6	66.4	0	0	0	0	113.7	E472 Y474 T476 D535 L536	E472-S480 PolarHBondContact OE2-N 2.84Å; E472-S480 PolarHBondContact OE2-OG 2.85Å; Y474-S480 PolarHBondContact O-OG 2.83Å; T476-S480 WeakPolarHBondContact OG1-CB 3.47Å; T476-S480 PolarHBondContact OG1-N 2.93Å; S480-D535 WeakPolarHBondContact O-CB 3.49Å; S480-L536 PolarHBondContact O-N 3.33Å; S480-L536 VanDerWaalsContact O-N 3.11Å
481	F	98.8	Very high	98.5	Very high	1 Å²	1	8.1 Å²	8.1	0%	0.004	5%	0.05	C	C	.	.			trans	55.8	47.7	-179.5	-52.9	-81.9	0	0	0	114.4	A462 F464 W470 E472 S479 L483 M522 F526 L536 M540	A462-F481 HydrophobicContact CB-CE1 4.01Å; A462-F481 HydrophobicContact CB-CZ 4.28Å; F464-F481 HydrophobicContact CB-CD1 4.32Å; F464-F481 HydrophobicContact CB-CE1 3.65Å; F464-F481 HydrophobicContact CB-CZ 3.93Å; F464-F481 HydrophobicContact CD2-CD1 4.4Å; F464-F481 HydrophobicContact CD2-CD2 4.3Å; F464-F481 HydrophobicContact CD2-CE1 4.13Å; F464-F481 AromaticContact CD2-CE2 3.99Å; F464-F481 HydrophobicContact CD2-CE2 3.99Å; F464-F481 AromaticContact CD2-CZ 3.91Å; F464-F481 HydrophobicContact CD2-CZ 3.91Å; F464-F481 HydrophobicContact CG-CE1 4.39Å; F464-F481 HydrophobicContact CG-CZ 4.44Å; W470-F481 HydrophobicContact CB-CD1 3.76Å; W470-F481 HydrophobicContact CB-CE1 3.79Å; W470-F481 AromaticContact CD1-CD1 3.7Å; W470-F481 AromaticContact CD2-CD1 3.86Å; W470-F481 HydrophobicContact CD2-CD1 3.86Å; W470-F481 HydrophobicContact CE3-CD1 4.49Å; W470-F481 AromaticContact CG-CD1 3.51Å; W470-F481 HydrophobicContact CG-CD1 3.51Å; W470-F481 HydrophobicContact CG-CE1 4.07Å; W470-F481 HydrophobicContact CZ2-CB 4.41Å; E472-F481 PolarHBondContact OE1-N 2.69Å; E472-F481 VanDerWaalsContact OE1-N 3.1Å; E472-F481 PolarHBondContact OE2-N 2.68Å; S479-F481 VanDerWaalsContact CB-CE2 3.41Å; F481-L483 PolarHBondContact O-N 3.31Å; F481-M522 HydrophobicContact CD1-CE 3.99Å; F481-M522 HydrophobicContact CG-CE 4.47Å; F481-F526 WeakPolarHBondContact O-CE1 3.23Å; F481-F526 VanDerWaalsContact O-CZ 3.32Å; F481-F526 WeakPolarHBondContact O-CZ 3.45Å; F481-L536 HydrophobicContact CB-CB 3.99Å; F481-L536 HydrophobicContact CB-CD1 3.96Å; F481-L536 HydrophobicContact CB-CG 3.92Å; F481-L536 HydrophobicContact CD2-CB 4.36Å; F481-L536 HydrophobicContact CG-CD1 4.33Å; F481-M540 HydrophobicContact CD2-CG 3.93Å; F481-M540 HydrophobicContact CD2-SD 4.14Å; F481-M540 HydrophobicContact CE2-CE 3.96Å; F481-M540 HydrophobicContact CE2-CG 3.94Å; F481-M540 HydrophobicContact CE2-SD 3.62Å
482	V	98.9	Very high	98.5	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.05	C	C	.	.			trans	-65.7	124.7	175	-178.4	0	0	0	0	111.4	E473 Y474 N484 F486 Y534 D535	E473-V482 HydrophobicContact CB-CB 3.96Å; E473-V482 HydrophobicContact CB-CG1 4.31Å; E473-V482 HydrophobicContact CB-CG2 4.36Å; E473-V482 VanDerWaalsContact OE2-CG1 3.25Å; E473-V482 WeakPolarHBondContact OE2-CG1 3.24Å; Y474-V482 HydrophobicContact CD2-CG2 3.69Å; Y474-V482 HydrophobicContact CE2-CG2 4Å; V482-N484 VanDerWaalsContact CG1-OD1 3.23Å; V482-N484 WeakPolarHBondContact CG1-OD1 3.46Å; V482-F486 PolarHBondContact O-N 2.89Å; V482-Y534 HydrophobicContact CB-CE1 4.41Å; V482-Y534 HydrophobicContact CG1-CD1 4.09Å; V482-Y534 HydrophobicContact CG1-CE1 3.49Å; V482-Y534 VanDerWaalsContact CG1-CE1 3.49Å; V482-Y534 HydrophobicContact CG1-CE2 4.1Å; V482-Y534 HydrophobicContact CG2-CD1 4.48Å; V482-Y534 HydrophobicContact CG2-CE1 4.01Å; V482-D535 HydrophobicContact CB-CB 4.43Å; V482-D535 HydrophobicContact CG2-CB 3.9Å
483	L	98.9	Very high	98.5	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-69.1	-52.7	-171.2	-177	60.3	0	0	0	113.6	W470 F481 G485 F486 I487 L519 L523 F526 Y534 H556 W579	W470-L483 HydrophobicContact CH2-CD1 3.98Å; F481-L483 PolarHBondContact O-N 3.31Å; L483-G485 VanDerWaalsContact C-N 3.33Å; L483-G485 PolarHBondContact O-N 2.78Å; L483-F486 PolarHBondContact O-N 2.89Å; L483-I487 HydrophobicContact CD1-CD1 3.89Å; L483-I487 HydrophobicContact CD1-CG1 4.28Å; L483-I487 HydrophobicContact CG-CD1 4Å; L483-I487 PolarHBondContact O-N 2.75Å; L483-I487 VanDerWaalsContact O-N 3.07Å; L483-L519 HydrophobicContact CD1-CD1 3.81Å; L483-L523 HydrophobicContact CD1-CD1 4.45Å; L483-L523 HydrophobicContact CD2-CD1 4.33Å; L483-F526 HydrophobicContact CB-CD1 3.81Å; L483-F526 HydrophobicContact CB-CE1 3.66Å; L483-F526 HydrophobicContact CB-CG 4.36Å; L483-F526 HydrophobicContact CB-CZ 4.09Å; L483-F526 HydrophobicContact CD1-CD2 4.13Å; L483-F526 HydrophobicContact CD1-CE2 4.06Å; L483-F526 HydrophobicContact CD1-CG 4.4Å; L483-F526 HydrophobicContact CD1-CZ 4.26Å; L483-F526 HydrophobicContact CD2-CB 3.92Å; L483-F526 HydrophobicContact CD2-CD1 4.02Å; L483-F526 HydrophobicContact CD2-CD2 4.31Å; L483-F526 HydrophobicContact CD2-CG 3.83Å; L483-F526 HydrophobicContact CG-CD1 4.36Å; L483-F526 HydrophobicContact CG-CE1 4.49Å; L483-F526 HydrophobicContact CG-CG 4.43Å; L483-Y534 PolarHBondContact N-O 3.33Å; L483-Y534 VanDerWaalsContact N-O 3.08Å; L483-H556 HydrophobicContact CD2-CB 4.36Å; L483-W579 HydrophobicContact CD2-CH2 3.94Å; L483-W579 HydrophobicContact CD2-CZ3 4.38Å
484	N	98.8	Very high	98.6	Very high	3 Å²	3	10 Å²	10	2%	0.016	6%	0.057	C	C	.	.	H	α-helix	trans	-62.1	-41.9	-173.8	65.2	-82.6	0	0	0	111.9	E473 V482 F486 I487 Y488 Y534 T555 Q559	E473-N484 PolarHBondContact OE2-ND2 3.29Å; V482-N484 VanDerWaalsContact CG1-OD1 3.23Å; V482-N484 WeakPolarHBondContact CG1-OD1 3.46Å; N484-F486 VanDerWaalsContact C-N 3.34Å; N484-I487 PolarHBondContact O-N 2.98Å; N484-Y488 WeakPolarHBondContact O-CD2 3.43Å; N484-Y488 PolarHBondContact O-N 2.92Å; N484-Y534 WeakPolarHBondContact OD1-CE2 3.36Å; N484-Y534 PolarHBondContact OD1-OH 3.24Å; N484-T555 HydrophobicContact CB-CG2 4.34Å; N484-Q559 PolarHBondContact O-NE2 2.69Å
485	G	98.8	Very high	98.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-69.2	-36.1	-177.4	0	0	0	0	0	111.9	E473 L483 S489	E473-G485 VanDerWaalsContact OE2-CA 3.26Å; E473-G485 WeakPolarHBondContact OE2-CA 3.44Å; E473-G485 PolarHBondContact OE2-N 2.9Å; L483-G485 VanDerWaalsContact C-N 3.33Å; L483-G485 PolarHBondContact O-N 2.78Å; G485-S489 WeakPolarHBondContact O-CB 3.49Å; G485-S489 PolarHBondContact O-N 2.83Å
486	F	98.9	Very high	98.6	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-60.9	-49.2	171.7	-179.9	-122.5	0	0	0	111.5	W470 Y471 V482 L483 N484 Y488 S489 L490 G515 L519	W470-F486 HydrophobicContact CD2-CB 4.22Å; W470-F486 AromaticContact CD2-CD1 3.8Å; W470-F486 HydrophobicContact CD2-CD1 3.8Å; W470-F486 AromaticContact CD2-CD2 3.83Å; W470-F486 HydrophobicContact CD2-CD2 3.83Å; W470-F486 AromaticContact CD2-CE1 4Å; W470-F486 HydrophobicContact CD2-CE1 4Å; W470-F486 HydrophobicContact CD2-CE2 4.04Å; W470-F486 AromaticContact CD2-CG 3.69Å; W470-F486 HydrophobicContact CD2-CG 3.69Å; W470-F486 HydrophobicContact CD2-CZ 4.11Å; W470-F486 VanDerWaalsContact CE2-CB 3.42Å; W470-F486 AromaticContact CE2-CD1 3.72Å; W470-F486 AromaticContact CE2-CD2 3.9Å; W470-F486 AromaticContact CE2-CG 3.41Å; W470-F486 VanDerWaalsContact CE2-CG 3.41Å; W470-F486 AromaticContact CE3-CD1 3.6Å; W470-F486 HydrophobicContact CE3-CD1 3.6Å; W470-F486 HydrophobicContact CE3-CD2 4.29Å; W470-F486 AromaticContact CE3-CE1 3.46Å; W470-F486 HydrophobicContact CE3-CE1 3.46Å; W470-F486 VanDerWaalsContact CE3-CE1 3.46Å; W470-F486 HydrophobicContact CE3-CE2 4.2Å; W470-F486 AromaticContact CE3-CG 3.99Å; W470-F486 HydrophobicContact CE3-CG 3.99Å; W470-F486 AromaticContact CE3-CZ 3.78Å; W470-F486 HydrophobicContact CE3-CZ 3.78Å; W470-F486 HydrophobicContact CG-CD2 4.05Å; W470-F486 HydrophobicContact CG-CE2 4.21Å; W470-F486 HydrophobicContact CG-CG 4.35Å; W470-F486 HydrophobicContact CH2-CB 4.05Å; W470-F486 AromaticContact CH2-CD1 3.31Å; W470-F486 HydrophobicContact CH2-CD1 3.31Å; W470-F486 AromaticContact CH2-CE1 3.9Å; W470-F486 HydrophobicContact CH2-CE1 3.9Å; W470-F486 AromaticContact CH2-CG 3.87Å; W470-F486 HydrophobicContact CH2-CG 3.87Å; W470-F486 HydrophobicContact CZ2-CB 3.34Å; W470-F486 AromaticContact CZ2-CD1 3.51Å; W470-F486 HydrophobicContact CZ2-CD1 3.51Å; W470-F486 HydrophobicContact CZ2-CD2 4.45Å; W470-F486 HydrophobicContact CZ2-CE1 4.37Å; W470-F486 AromaticContact CZ2-CG 3.53Å; W470-F486 HydrophobicContact CZ2-CG 3.53Å; W470-F486 AromaticContact CZ3-CD1 3.34Å; W470-F486 HydrophobicContact CZ3-CD1 3.34Å; W470-F486 AromaticContact CZ3-CE1 3.41Å; W470-F486 HydrophobicContact CZ3-CE1 3.41Å; W470-F486 VanDerWaalsContact CZ3-CE1 3.41Å; W470-F486 HydrophobicContact CZ3-CG 4.08Å; W470-F486 HydrophobicContact CZ3-CZ 4.2Å; W470-F486 AromaticContact NE1-CG 3.85Å; Y471-F486 AromaticContact CD2-CD2 3.95Å; Y471-F486 HydrophobicContact CD2-CD2 3.95Å; Y471-F486 AromaticContact CD2-CE2 3.45Å; Y471-F486 HydrophobicContact CD2-CE2 3.45Å; Y471-F486 VanDerWaalsContact CD2-CE2 3.45Å; Y471-F486 HydrophobicContact CE2-CE2 4.05Å; Y471-F486 HydrophobicContact CG-CD2 4.11Å; Y471-F486 AromaticContact CG-CE2 3.8Å; Y471-F486 HydrophobicContact CG-CE2 3.8Å; Y471-F486 VanDerWaalsContact N-CE2 3.27Å; V482-F486 PolarHBondContact O-N 2.89Å; L483-F486 PolarHBondContact O-N 2.89Å; N484-F486 VanDerWaalsContact C-N 3.34Å; F486-Y488 PolarHBondContact O-N 3.3Å; F486-S489 WeakPolarHBondContact O-CA 3.19Å; F486-S489 VanDerWaalsContact O-CB 3.24Å; F486-S489 WeakPolarHBondContact O-CB 3.32Å; F486-S489 PolarHBondContact O-N 3.28Å; F486-S489 PolarHBondContact O-OG 3.03Å; F486-L490 HydrophobicContact CD1-CD1 4.39Å; F486-L490 HydrophobicContact CE1-CD1 3.98Å; F486-L490 HydrophobicContact CE2-CD2 4.07Å; F486-L490 HydrophobicContact CE2-CG 4.49Å; F486-L490 HydrophobicContact CZ-CD1 4.16Å; F486-L490 HydrophobicContact CZ-CD2 4.12Å; F486-L490 HydrophobicContact CZ-CG 4.42Å; F486-L490 WeakPolarHBondContact O-CG 3.45Å; F486-L490 PolarHBondContact O-N 3.36Å; F486-L490 VanDerWaalsContact O-N 3.1Å; F486-G515 WeakPolarHBondContact CZ-O 3.2Å; F486-L519 HydrophobicContact CD1-CD1 4.32Å; F486-L519 HydrophobicContact CE1-CB 3.92Å; F486-L519 HydrophobicContact CE1-CD1 4.38Å
487	I	98.9	Very high	98.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.8	-42.6	-179.4	-60.5	167.3	0	0	0	111.4	L483 N484 S489 L490 L491 L519 Q559 L560 L563	L483-I487 HydrophobicContact CD1-CD1 3.89Å; L483-I487 HydrophobicContact CD1-CG1 4.28Å; L483-I487 HydrophobicContact CG-CD1 4Å; L483-I487 PolarHBondContact O-N 2.75Å; L483-I487 VanDerWaalsContact O-N 3.07Å; N484-I487 PolarHBondContact O-N 2.98Å; I487-S489 PolarHBondContact O-N 2.85Å; I487-L490 WeakPolarHBondContact O-CB 3.39Å; I487-L490 PolarHBondContact O-N 3.07Å; I487-L491 WeakPolarHBondContact O-CG 3.43Å; I487-L491 PolarHBondContact O-N 3.25Å; I487-L519 HydrophobicContact CD1-CD1 4.21Å; I487-L519 HydrophobicContact CD1-CD2 4.45Å; I487-L519 HydrophobicContact CG1-CD1 4Å; I487-L519 HydrophobicContact CG1-CD2 4Å; I487-Q559 HydrophobicContact CB-CB 4.31Å; I487-Q559 HydrophobicContact CB-CG 4.44Å; I487-Q559 HydrophobicContact CD1-CB 4.09Å; I487-Q559 HydrophobicContact CG2-CB 3.69Å; I487-Q559 HydrophobicContact CG2-CG 4.04Å; I487-L560 HydrophobicContact CD1-CD2 4.05Å; I487-L563 HydrophobicContact CG2-CD1 3.68Å; I487-L563 HydrophobicContact CG2-CG 4.16Å
488	Y	98.9	Very high	98.7	Very high	6 Å²	6	11.5 Å²	11.5	2%	0.024	7%	0.066	C	C	.	.	H	α-helix	trans	-58.7	-34.2	173.5	-78.6	-57.6	0	0	0	112.8	F147 M148 F150 M419 Q423 N484 F486 L490 L491 G492 T555	F147-Y488 AromaticContact CE1-CD1 3.95Å; F147-Y488 HydrophobicContact CE1-CD1 3.95Å; F147-Y488 AromaticContact CE1-CE1 3.8Å; F147-Y488 HydrophobicContact CE1-CE1 3.8Å; F147-Y488 AromaticContact CZ-CD1 3.95Å; F147-Y488 HydrophobicContact CZ-CD1 3.95Å; F147-Y488 HydrophobicContact CZ-CE1 4.25Å; M148-Y488 HydrophobicContact CE-CE1 4.43Å; M148-Y488 WeakPolarHBondContact CE-OH 3.43Å; M148-Y488 HydrophobicContact SD-CE1 4.23Å; F150-Y488 HydrophobicContact CE1-CE1 4.02Å; F150-Y488 AromaticContact CZ-CE1 3.91Å; F150-Y488 HydrophobicContact CZ-CE1 3.91Å; M419-Y488 HydrophobicContact CE-CD2 3.46Å; M419-Y488 VanDerWaalsContact CE-CD2 3.46Å; M419-Y488 HydrophobicContact CE-CE2 3.63Å; M419-Y488 HydrophobicContact CE-CG 4.33Å; M419-Y488 HydrophobicContact CG-CD2 4.13Å; M419-Y488 HydrophobicContact CG-CG 4.43Å; M419-Y488 HydrophobicContact SD-CD2 3.94Å; Q423-Y488 HydrophobicContact CG-CD1 4.46Å; Q423-Y488 HydrophobicContact CG-CG 4.44Å; N484-Y488 WeakPolarHBondContact O-CD2 3.43Å; N484-Y488 PolarHBondContact O-N 2.92Å; F486-Y488 PolarHBondContact O-N 3.3Å; Y488-L490 VanDerWaalsContact C-N 3.32Å; Y488-L491 HydrophobicContact CD1-CD1 4.21Å; Y488-L491 PolarHBondContact O-N 3.1Å; Y488-G492 PolarHBondContact O-N 3.35Å; Y488-T555 HydrophobicContact CE2-CG2 4.23Å
489	S	98.9	Very high	98.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.1	-38.1	175.2	91.3	0	0	0	0	112	A418 Y451 Y471 G485 F486 I487 G492 L493	A418-S489 WeakPolarHBondContact O-CB 3.35Å; Y451-S489 WeakPolarHBondContact OH-CB 3.48Å; Y471-S489 WeakPolarHBondContact CD2-OG 3.45Å; G485-S489 WeakPolarHBondContact O-CB 3.49Å; G485-S489 PolarHBondContact O-N 2.83Å; F486-S489 WeakPolarHBondContact O-CA 3.19Å; F486-S489 VanDerWaalsContact O-CB 3.24Å; F486-S489 WeakPolarHBondContact O-CB 3.32Å; F486-S489 PolarHBondContact O-N 3.28Å; F486-S489 PolarHBondContact O-OG 3.03Å; I487-S489 PolarHBondContact O-N 2.85Å; S489-G492 PolarHBondContact O-N 2.6Å; S489-L493 WeakPolarHBondContact O-CG 3.47Å; S489-L493 PolarHBondContact O-N 3.03Å
490	L	98.9	Very high	98.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-67.6	-39.2	175.6	-57.4	-177.2	0	0	0	111.8	Y471 F486 I487 Y488 G492 L493 Y494 F512 M516 L519	Y471-L490 HydrophobicContact CD2-CD2 3.82Å; Y471-L490 HydrophobicContact CE2-CD2 3.66Å; F486-L490 HydrophobicContact CD1-CD1 4.39Å; F486-L490 HydrophobicContact CE1-CD1 3.98Å; F486-L490 HydrophobicContact CE2-CD2 4.07Å; F486-L490 HydrophobicContact CE2-CG 4.49Å; F486-L490 HydrophobicContact CZ-CD1 4.16Å; F486-L490 HydrophobicContact CZ-CD2 4.12Å; F486-L490 HydrophobicContact CZ-CG 4.42Å; F486-L490 WeakPolarHBondContact O-CG 3.45Å; F486-L490 PolarHBondContact O-N 3.36Å; F486-L490 VanDerWaalsContact O-N 3.1Å; I487-L490 WeakPolarHBondContact O-CB 3.39Å; I487-L490 PolarHBondContact O-N 3.07Å; Y488-L490 VanDerWaalsContact C-N 3.32Å; L490-G492 VanDerWaalsContact C-N 3.33Å; L490-G492 PolarHBondContact O-N 3.1Å; L490-L493 HydrophobicContact CD2-CD1 4.4Å; L490-L493 PolarHBondContact O-N 3.45Å; L490-Y494 WeakPolarHBondContact O-CB 3.37Å; L490-Y494 PolarHBondContact O-N 3.02Å; L490-F512 HydrophobicContact CB-CD2 4.06Å; L490-F512 HydrophobicContact CB-CE2 4.2Å; L490-F512 WeakPolarHBondContact O-CD2 3.49Å; L490-M516 HydrophobicContact CD1-CG 4.41Å; L490-M516 HydrophobicContact CD1-SD 3.91Å; L490-L519 HydrophobicContact CD1-CB 4.37Å; L490-L519 HydrophobicContact CD1-CD2 4.07Å
491	L	98.9	Very high	98.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.3	-41.3	176.9	-59.7	-175.2	0	0	0	112	F147 I487 Y488 Y494 D495 L562 L563	F147-L491 HydrophobicContact CE2-CB 4.41Å; F147-L491 HydrophobicContact CE2-CD1 4.47Å; F147-L491 HydrophobicContact CZ-CD1 4.2Å; I487-L491 WeakPolarHBondContact O-CG 3.43Å; I487-L491 PolarHBondContact O-N 3.25Å; Y488-L491 HydrophobicContact CD1-CD1 4.21Å; Y488-L491 PolarHBondContact O-N 3.1Å; L491-Y494 PolarHBondContact O-N 3.43Å; L491-D495 VanDerWaalsContact O-CG 3.32Å; L491-D495 PolarHBondContact O-N 3.38Å; L491-L562 HydrophobicContact CD1-CD1 3.92Å; L491-L562 HydrophobicContact CD1-CD2 4.43Å; L491-L562 HydrophobicContact CD2-CD1 4.45Å; L491-L562 HydrophobicContact CD2-CD2 3.47Å; L491-L562 VanDerWaalsContact CD2-CD2 3.47Å; L491-L563 HydrophobicContact CD2-CD2 3.63Å; L491-L563 HydrophobicContact CD2-CG 4.45Å
492	G	98.9	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.4	-40.3	175.4	0	0	0	0	0	113.3	G422 S426 Y488 S489 L490 D495 V496	G422-G492 VanDerWaalsContact O-CA 3.28Å; G422-G492 WeakPolarHBondContact O-CA 3.21Å; S426-G492 WeakPolarHBondContact OG-CA 3.36Å; Y488-G492 PolarHBondContact O-N 3.35Å; S489-G492 PolarHBondContact O-N 2.6Å; L490-G492 VanDerWaalsContact C-N 3.33Å; L490-G492 PolarHBondContact O-N 3.1Å; G492-D495 PolarHBondContact O-N 3.22Å; G492-V496 WeakPolarHBondContact O-CG2 3.4Å; G492-V496 PolarHBondContact O-N 3.03Å; G492-V496 VanDerWaalsContact O-N 3.12Å
493	L	98.9	Very high	98.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.4	-40.7	174.9	-69	167.6	0	0	0	111.6	M425 V448 Y451 Y471 S489 L490 V496 A497 A508 L511 F512	M425-L493 HydrophobicContact CE-CD2 3.96Å; M425-L493 HydrophobicContact CE-CG 4.03Å; M425-L493 HydrophobicContact SD-CD2 4.29Å; V448-L493 HydrophobicContact CG1-CD2 4.39Å; V448-L493 HydrophobicContact CG2-CD2 4.29Å; Y451-L493 HydrophobicContact CD1-CD1 4.04Å; Y451-L493 HydrophobicContact CD2-CD2 4.46Å; Y451-L493 HydrophobicContact CE1-CD1 3.87Å; Y451-L493 HydrophobicContact CE1-CG 4.26Å; Y451-L493 HydrophobicContact CE2-CD2 4.38Å; Y471-L493 HydrophobicContact CD2-CD1 4.12Å; Y471-L493 HydrophobicContact CE2-CD1 3.72Å; S489-L493 WeakPolarHBondContact O-CG 3.47Å; S489-L493 PolarHBondContact O-N 3.03Å; L490-L493 HydrophobicContact CD2-CD1 4.4Å; L490-L493 PolarHBondContact O-N 3.45Å; L493-V496 PolarHBondContact O-N 3.03Å; L493-A497 VanDerWaalsContact O-CB 3.27Å; L493-A497 WeakPolarHBondContact O-CB 3.47Å; L493-A497 PolarHBondContact O-N 3.48Å; L493-A508 HydrophobicContact CD2-CB 4.24Å; L493-L511 HydrophobicContact CD1-CB 3.81Å; L493-L511 HydrophobicContact CD2-CB 4.1Å; L493-L511 HydrophobicContact CD2-CD1 4.23Å; L493-F512 HydrophobicContact CB-CB 3.99Å
494	Y	98.9	Very high	98	Very high	43 Å²	43	31.7 Å²	31.7	17%	0.169	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-49.4	174.3	173.3	-96	0	0	0	111.4	Y141 P143 L490 L491 V496 A497 D498 F512 I566	Y141-Y494 HydrophobicContact CD1-CD1 4.12Å; Y141-Y494 AromaticContact CD1-CE1 3.79Å; Y141-Y494 HydrophobicContact CD1-CE1 3.79Å; Y141-Y494 AromaticContact CE1-CD1 3.78Å; Y141-Y494 HydrophobicContact CE1-CD1 3.78Å; Y141-Y494 AromaticContact CE1-CE1 3.79Å; Y141-Y494 HydrophobicContact CE1-CE1 3.79Å; P143-Y494 HydrophobicContact CG-CE1 4.31Å; L490-Y494 WeakPolarHBondContact O-CB 3.37Å; L490-Y494 PolarHBondContact O-N 3.02Å; L491-Y494 PolarHBondContact O-N 3.43Å; Y494-V496 VanDerWaalsContact C-N 3.29Å; Y494-V496 PolarHBondContact O-N 2.98Å; Y494-A497 PolarHBondContact O-N 2.97Å; Y494-D498 WeakPolarHBondContact O-CB 3.35Å; Y494-D498 PolarHBondContact O-N 3.27Å; Y494-F512 HydrophobicContact CD2-CE1 4.04Å; Y494-F512 HydrophobicContact CD2-CE2 4.4Å; Y494-F512 AromaticContact CD2-CZ 3.94Å; Y494-F512 HydrophobicContact CD2-CZ 3.94Å; Y494-F512 HydrophobicContact CG-CE2 4.46Å; Y494-F512 HydrophobicContact CG-CZ 4.43Å; Y494-I566 HydrophobicContact CD1-CD1 4.44Å; Y494-I566 HydrophobicContact CD2-CD1 4.04Å; Y494-I566 HydrophobicContact CE1-CG2 4.12Å; Y494-I566 HydrophobicContact CE2-CB 4.28Å; Y494-I566 HydrophobicContact CE2-CD1 4.26Å; Y494-I566 HydrophobicContact CE2-CG2 4.36Å; Y494-I566 HydrophobicContact CG-CD1 4.14Å
495	D	98.9	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-56.4	-43.1	179.1	-75.1	-3.1	0	0	0	111.9	Y141 P143 S426 V429 R430 L491 G492 T499	Y141-D495 WeakPolarHBondContact CE1-OD1 3.27Å; Y141-D495 VanDerWaalsContact CZ-OD1 3.32Å; Y141-D495 PolarHBondContact OH-OD1 3.44Å; Y141-D495 PolarHBondContact OH-OD2 3.43Å; P143-D495 HydrophobicContact CB-CB 4.27Å; P143-D495 HydrophobicContact CG-CB 4.44Å; S426-D495 VanDerWaalsContact CA-OD2 3.29Å; S426-D495 WeakPolarHBondContact CA-OD2 3.42Å; S426-D495 WeakPolarHBondContact CB-OD2 3.39Å; S426-D495 PolarHBondContact OG-OD2 3.49Å; V429-D495 HydrophobicContact CB-CB 4.28Å; V429-D495 HydrophobicContact CG1-CB 4.13Å; V429-D495 HydrophobicContact CG2-CB 4.19Å; R430-D495 IonicContact CZ-OD2 3.9Å; R430-D495 IonicContact NH1-OD2 3.51Å; R430-D495 PolarHBondContact NH1-OD2 3.02Å; L491-D495 VanDerWaalsContact O-CG 3.32Å; L491-D495 PolarHBondContact O-N 3.38Å; G492-D495 PolarHBondContact O-N 3.22Å; D495-T499 WeakPolarHBondContact O-CB 3.48Å; D495-T499 PolarHBondContact O-N 3.46Å; D495-T499 VanDerWaalsContact O-N 3.14Å; D495-T499 PolarHBondContact O-OG1 3.26Å
496	V	98.8	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.9	-45.6	177.3	172.8	0	0	0	0	111.6	M425 V429 A444 L445 G492 L493 Y494 D498 T499 A500 A508	M425-V496 HydrophobicContact CB-CG2 3.79Å; M425-V496 HydrophobicContact CG-CG2 3.84Å; M425-V496 HydrophobicContact SD-CG2 3.82Å; V429-V496 HydrophobicContact CG2-CB 4.49Å; V429-V496 HydrophobicContact CG2-CG2 3.72Å; A444-V496 HydrophobicContact CB-CG2 3.91Å; L445-V496 HydrophobicContact CD2-CG1 3.81Å; G492-V496 WeakPolarHBondContact O-CG2 3.4Å; G492-V496 PolarHBondContact O-N 3.03Å; G492-V496 VanDerWaalsContact O-N 3.12Å; L493-V496 PolarHBondContact O-N 3.03Å; Y494-V496 VanDerWaalsContact C-N 3.29Å; Y494-V496 PolarHBondContact O-N 2.98Å; V496-D498 PolarHBondContact O-N 3.08Å; V496-T499 PolarHBondContact O-N 3.39Å; V496-A500 HydrophobicContact CG1-CB 4.49Å; V496-A500 WeakPolarHBondContact O-CB 3.41Å; V496-A500 PolarHBondContact O-N 2.9Å; V496-A508 HydrophobicContact CB-CB 4.03Å; V496-A508 HydrophobicContact CG1-CB 3.75Å
497	A	98.6	Very high	97.9	Very high	23 Å²	23	42.6 Å²	42.6	19%	0.19	22%	0.219	C	C	.	.	H	α-helix	trans	-61.8	-43.9	-178.4	0	0	0	0	0	111.9	L493 Y494 A508	L493-A497 VanDerWaalsContact O-CB 3.27Å; L493-A497 WeakPolarHBondContact O-CB 3.47Å; L493-A497 PolarHBondContact O-N 3.48Å; Y494-A497 PolarHBondContact O-N 2.97Å; A497-A508 HydrophobicContact CB-CB 4.13Å
498	D	98.1	Very high	97.9	Very high	95 Å²	95	42.7 Å²	42.7	51%	0.508	22%	0.22	S	C	.	.	H	α-helix	trans	-67.4	-39.9	179.2	-168.6	70.1	0	0	0	111.7	P143 Y494 V496	P143-D498 WeakPolarHBondContact CD-OD2 3.24Å; P143-D498 HydrophobicContact CG-CB 4.06Å; P143-D498 WeakPolarHBondContact CG-OD2 3.42Å; Y494-D498 WeakPolarHBondContact O-CB 3.35Å; Y494-D498 PolarHBondContact O-N 3.27Å; V496-D498 PolarHBondContact O-N 3.08Å
499	T	98.4	Very high	97.9	Very high	28 Å²	28	43.6 Å²	43.6	17%	0.172	23%	0.231	C	C	.	.	H	α-helix	trans	-81.3	-38.1	-175.7	-59.2	0	0	0	0	114	V429 Y432 L433 D495 V496 G501	V429-T499 HydrophobicContact CG1-CG2 4.13Å; V429-T499 WeakPolarHBondContact CG1-OG1 3.44Å; Y432-T499 HydrophobicContact CD1-CG2 3.67Å; Y432-T499 HydrophobicContact CE1-CG2 3.85Å; L433-T499 HydrophobicContact CD1-CG2 4.25Å; L433-T499 HydrophobicContact CD2-CG2 3.73Å; L433-T499 HydrophobicContact CG-CG2 3.99Å; D495-T499 WeakPolarHBondContact O-CB 3.48Å; D495-T499 PolarHBondContact O-N 3.46Å; D495-T499 VanDerWaalsContact O-N 3.14Å; D495-T499 PolarHBondContact O-OG1 3.26Å; V496-T499 PolarHBondContact O-N 3.39Å; T499-G501 VanDerWaalsContact C-N 3.29Å; T499-G501 PolarHBondContact O-N 2.85Å
500	A	97.3	Very high	97.9	Very high	14 Å²	14	48.8 Å²	48.8	12%	0.116	26%	0.255	C	S	.	.	H	α-helix	trans	-82.9	-5.4	-171.1	0	0	0	0	0	113.8	L441 L445 V496 L504	L441-A500 HydrophobicContact CD1-CB 4.09Å; L445-A500 HydrophobicContact CD2-CB 3.89Å; V496-A500 HydrophobicContact CG1-CB 4.49Å; V496-A500 WeakPolarHBondContact O-CB 3.41Å; V496-A500 PolarHBondContact O-N 2.9Å; A500-L504 HydrophobicContact CB-CB 4.02Å
501	G	93.4	Very high	97.9	Very high	37 Å²	37	48.8 Å²	48.8	38%	0.381	26%	0.255	S	S	.	.	H	α-helix	trans	70.8	177.6	-177.5	0	0	0	0	0	113.9	T499 I503 G505	T499-G501 VanDerWaalsContact C-N 3.29Å; T499-G501 PolarHBondContact O-N 2.85Å; G501-I503 VanDerWaalsContact C-N 3.28Å; G501-I503 PolarHBondContact O-N 3.43Å; G501-I503 VanDerWaalsContact O-N 3.16Å; G501-G505 VanDerWaalsContact O-CA 3.28Å; G501-G505 WeakPolarHBondContact O-CA 3.37Å; G501-G505 PolarHBondContact O-N 3.17Å
502	E	92.6	Very high	97.9	Very high	174 Å²	174	50.4 Å²	50.4	81%	0.813	26%	0.262	S	S	*	.	H	α-helix	trans	-64.9	-24.1	-166.9	-63.1	-172.5	167.8	0	0	115.7	R506	E502-R506 WeakPolarHBondContact O-CB 3.36Å
503	I	96.8	Very high	97.9	Very high	140 Å²	140	54.1 Å²	54.1	72%	0.718	29%	0.288	S	S	*	.	H	α-helix	trans	-89.5	-58.8	-176.9	-60.6	177	0	0	0	110	G501	G501-I503 VanDerWaalsContact C-N 3.28Å; G501-I503 PolarHBondContact O-N 3.43Å; G501-I503 VanDerWaalsContact O-N 3.16Å
504	L	97.4	Very high	97.9	Very high	103 Å²	103	58.8 Å²	58.8	54%	0.539	31%	0.306	S	S	.	.	H	α-helix	trans	-74.7	-36.1	-176.8	-60.5	175.6	0	0	0	111.8	L445 A500 R506	L445-L504 HydrophobicContact CD1-CB 4.12Å; L445-L504 HydrophobicContact CD1-CD1 4.4Å; L445-L504 HydrophobicContact CD2-CB 4.22Å; L445-L504 VanDerWaalsContact CD2-O 3.3Å; L445-L504 WeakPolarHBondContact CD2-O 3.01Å; A500-L504 HydrophobicContact CB-CB 4.02Å; L504-R506 VanDerWaalsContact C-N 3.31Å; L504-R506 PolarHBondContact O-N 2.87Å
505	G	97.8	Very high	97.9	Very high	3 Å²	3	56.8 Å²	56.8	3%	0.031	30%	0.298	C	S	.	.	S	Bend	trans	-80.3	-5.2	-179.7	0	0	0	0	0	115	G501 E507 A508 G509	G501-G505 VanDerWaalsContact O-CA 3.28Å; G501-G505 WeakPolarHBondContact O-CA 3.37Å; G501-G505 PolarHBondContact O-N 3.17Å; G505-E507 VanDerWaalsContact C-N 3.31Å; G505-E507 PolarHBondContact O-N 2.92Å; G505-A508 PolarHBondContact O-N 3.4Å; G505-G509 PolarHBondContact O-N 3.45Å
506	R	98.4	Very high	97.8	Very high	150 Å²	150	57 Å²	57	57%	0.566	30%	0.299	S	S	*	.	H	α-helix	trans	-52.9	-46.7	-173.6	-173.1	178.5	-63.4	-138.6	-2.5	113.1	E502 L504 G509 Q510	E502-R506 WeakPolarHBondContact O-CB 3.36Å; L504-R506 VanDerWaalsContact C-N 3.31Å; L504-R506 PolarHBondContact O-N 2.87Å; R506-G509 PolarHBondContact O-N 2.83Å; R506-Q510 WeakPolarHBondContact O-CG 3.04Å; R506-Q510 PolarHBondContact O-N 2.95Å
507	E	98.1	Very high	97.8	Very high	79 Å²	79	62.9 Å²	62.9	37%	0.369	33%	0.326	S	S	.	.	H	α-helix	trans	-66.6	-42.9	-176.4	-170.8	170.5	-125.5	0	0	111.4	V448 K452 G505 G509 Q510 L511	V448-E507 HydrophobicContact CG1-CG 3.91Å; K452-E507 HydrophobicContact CD-CG 4.32Å; K452-E507 WeakPolarHBondContact CD-OE1 3.38Å; K452-E507 WeakPolarHBondContact CE-OE1 3.34Å; K452-E507 IonicContact NZ-OE1 3.35Å; K452-E507 PolarHBondContact NZ-OE1 3.33Å; K452-E507 IonicContact NZ-OE2 3.81Å; K452-E507 PolarHBondContact NZ-OE2 3.19Å; G505-E507 VanDerWaalsContact C-N 3.31Å; G505-E507 PolarHBondContact O-N 2.92Å; E507-G509 VanDerWaalsContact C-N 3.34Å; E507-G509 PolarHBondContact O-N 2.81Å; E507-Q510 PolarHBondContact O-N 3.31Å; E507-L511 HydrophobicContact CG-CD1 4.39Å; E507-L511 PolarHBondContact O-N 3.46Å; E507-L511 VanDerWaalsContact O-N 3.11Å
508	A	98.8	Very high	97.9	Very high	2 Å²	2	62 Å²	62	2%	0.017	32%	0.318	C	S	.	.	H	α-helix	trans	-61.6	-43.2	174.2	0	0	0	0	0	111.3	V448 L493 V496 A497 G505 Q510 L511 F512	V448-A508 HydrophobicContact CG2-CB 4.12Å; L493-A508 HydrophobicContact CD2-CB 4.24Å; V496-A508 HydrophobicContact CB-CB 4.03Å; V496-A508 HydrophobicContact CG1-CB 3.75Å; A497-A508 HydrophobicContact CB-CB 4.13Å; G505-A508 PolarHBondContact O-N 3.4Å; A508-Q510 PolarHBondContact O-N 2.92Å; A508-L511 PolarHBondContact O-N 3.47Å; A508-F512 WeakPolarHBondContact O-CB 3.46Å; A508-F512 PolarHBondContact O-N 3.16Å
509	G	98.7	Very high	97.9	Very high	25 Å²	25	57.4 Å²	57.4	26%	0.258	29%	0.294	S	S	.	.	H	α-helix	trans	-62.2	-40.5	177.3	0	0	0	0	0	113.4	G505 R506 E507 F512 S513	G505-G509 PolarHBondContact O-N 3.45Å; R506-G509 PolarHBondContact O-N 2.83Å; E507-G509 VanDerWaalsContact C-N 3.34Å; E507-G509 PolarHBondContact O-N 2.81Å; G509-F512 PolarHBondContact O-N 3.34Å; G509-S513 WeakPolarHBondContact O-CB 3.28Å; G509-S513 PolarHBondContact O-N 2.89Å
510	Q	98.8	Very high	97.9	Very high	108 Å²	108	59.1 Å²	59.1	51%	0.505	30%	0.299	S	S	.	.	H	α-helix	trans	-66.3	-39.4	176.2	-74	175.1	-9.1	0	0	112.8	R506 E507 A508 R514	R506-Q510 WeakPolarHBondContact O-CG 3.04Å; R506-Q510 PolarHBondContact O-N 2.95Å; E507-Q510 PolarHBondContact O-N 3.31Å; A508-Q510 PolarHBondContact O-N 2.92Å; Q510-R514 WeakPolarHBondContact O-CG 3.48Å; Q510-R514 PolarHBondContact O-N 3.1Å; Q510-R514 PolarHBondContact O-NE 3.11Å
511	L	98.9	Very high	98	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-68.8	-44.9	174.9	-73	161.9	0	0	0	110.8	V448 K452 Y471 L493 E507 A508 S513 R514 G515	V448-L511 HydrophobicContact CG1-CD1 3.21Å; K452-L511 HydrophobicContact CG-CD1 4.43Å; Y471-L511 HydrophobicContact CE1-CD2 4.08Å; Y471-L511 WeakPolarHBondContact OH-CA 3.41Å; Y471-L511 WeakPolarHBondContact OH-CD2 3.42Å; Y471-L511 PolarHBondContact OH-O 3.02Å; L493-L511 HydrophobicContact CD1-CB 3.81Å; L493-L511 HydrophobicContact CD2-CB 4.1Å; L493-L511 HydrophobicContact CD2-CD1 4.23Å; E507-L511 HydrophobicContact CG-CD1 4.39Å; E507-L511 PolarHBondContact O-N 3.46Å; E507-L511 VanDerWaalsContact O-N 3.11Å; A508-L511 PolarHBondContact O-N 3.47Å; L511-S513 VanDerWaalsContact C-N 3.35Å; L511-S513 PolarHBondContact O-N 3.07Å; L511-R514 VanDerWaalsContact CD2-NH2 3.26Å; L511-R514 PolarHBondContact O-N 3.28Å; L511-G515 PolarHBondContact O-N 3.38Å
512	F	98.9	Very high	98.2	Very high	33 Å²	33	58.8 Å²	58.8	15%	0.145	29%	0.293	C	S	.	.	H	α-helix	trans	-55.1	-50	174.7	174.2	-107.4	0	0	0	111.6	L490 L493 Y494 A508 G509 R514 G515 M516 I566	L490-F512 HydrophobicContact CB-CD2 4.06Å; L490-F512 HydrophobicContact CB-CE2 4.2Å; L490-F512 WeakPolarHBondContact O-CD2 3.49Å; L493-F512 HydrophobicContact CB-CB 3.99Å; Y494-F512 HydrophobicContact CD2-CE1 4.04Å; Y494-F512 HydrophobicContact CD2-CE2 4.4Å; Y494-F512 AromaticContact CD2-CZ 3.94Å; Y494-F512 HydrophobicContact CD2-CZ 3.94Å; Y494-F512 HydrophobicContact CG-CE2 4.46Å; Y494-F512 HydrophobicContact CG-CZ 4.43Å; A508-F512 WeakPolarHBondContact O-CB 3.46Å; A508-F512 PolarHBondContact O-N 3.16Å; G509-F512 PolarHBondContact O-N 3.34Å; F512-R514 PolarHBondContact O-N 3.05Å; F512-G515 PolarHBondContact O-N 3.32Å; F512-M516 HydrophobicContact CD1-CG 4.35Å; F512-M516 HydrophobicContact CD2-CG 4.01Å; F512-M516 HydrophobicContact CE1-CG 3.93Å; F512-M516 HydrophobicContact CE2-CG 3.55Å; F512-M516 HydrophobicContact CE2-SD 3.89Å; F512-M516 HydrophobicContact CG-CG 4.39Å; F512-M516 HydrophobicContact CZ-CE 4.35Å; F512-M516 HydrophobicContact CZ-CG 3.51Å; F512-M516 HydrophobicContact CZ-SD 3.99Å; F512-M516 WeakPolarHBondContact O-CB 3.18Å; F512-M516 VanDerWaalsContact O-CG 3.32Å; F512-M516 WeakPolarHBondContact O-CG 3.32Å; F512-M516 PolarHBondContact O-N 2.7Å; F512-I566 HydrophobicContact CE2-CD1 4.29Å; F512-I566 HydrophobicContact CZ-CD1 3.86Å
513	S	98.8	Very high	98.5	Very high	78 Å²	78	50.5 Å²	50.5	55%	0.545	25%	0.254	S	S	.	.	H	α-helix	trans	-60	-45.6	-179.7	-172.5	0	0	0	0	112.6	G509 L511 M516 E517	G509-S513 WeakPolarHBondContact O-CB 3.28Å; G509-S513 PolarHBondContact O-N 2.89Å; L511-S513 VanDerWaalsContact C-N 3.35Å; L511-S513 PolarHBondContact O-N 3.07Å; S513-M516 PolarHBondContact O-N 2.82Å; S513-E517 PolarHBondContact O-N 3.41Å; S513-E517 VanDerWaalsContact O-N 3.08Å
514	R	98.8	Very high	98.6	Very high	99 Å²	99	47.5 Å²	47.5	37%	0.374	24%	0.243	S	C	.	.	H	α-helix	trans	-64	-43.4	176.7	-76.6	-173.5	-71.4	165.4	-14.9	112	D469 Q510 L511 F512 M516 E517 S518	D469-R514 IonicContact OD2-CZ 2.85Å; D469-R514 IonicContact OD2-NH1 3.56Å; D469-R514 PolarHBondContact OD2-NH1 2.78Å; Q510-R514 WeakPolarHBondContact O-CG 3.48Å; Q510-R514 PolarHBondContact O-N 3.1Å; Q510-R514 PolarHBondContact O-NE 3.11Å; L511-R514 VanDerWaalsContact CD2-NH2 3.26Å; L511-R514 PolarHBondContact O-N 3.28Å; F512-R514 PolarHBondContact O-N 3.05Å; R514-M516 VanDerWaalsContact C-N 3.33Å; R514-M516 PolarHBondContact O-N 3.41Å; R514-E517 WeakPolarHBondContact O-CB 3.05Å; R514-E517 PolarHBondContact O-N 2.86Å; R514-S518 PolarHBondContact O-N 2.82Å; R514-S518 PolarHBondContact O-OG 2.95Å
515	G	98.8	Very high	98.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-37.1	177.3	0	0	0	0	0	112.9	F486 L511 F512 S518 L519	F486-G515 WeakPolarHBondContact CZ-O 3.2Å; L511-G515 PolarHBondContact O-N 3.38Å; F512-G515 PolarHBondContact O-N 3.32Å; G515-S518 PolarHBondContact O-N 2.76Å; G515-L519 WeakPolarHBondContact O-CB 3.08Å; G515-L519 PolarHBondContact O-N 3.19Å
516	M	98.8	Very high	98.7	Very high	4 Å²	4	46 Å²	46	2%	0.02	24%	0.235	C	C	.	.	H	α-helix	trans	-66.6	-37.2	174.4	-75.1	-64.2	-75	0	0	112.5	L490 F512 S513 R514 L519 K520 L563 D567 F572	L490-M516 HydrophobicContact CD1-CG 4.41Å; L490-M516 HydrophobicContact CD1-SD 3.91Å; F512-M516 HydrophobicContact CD1-CG 4.35Å; F512-M516 HydrophobicContact CD2-CG 4.01Å; F512-M516 HydrophobicContact CE1-CG 3.93Å; F512-M516 HydrophobicContact CE2-CG 3.55Å; F512-M516 HydrophobicContact CE2-SD 3.89Å; F512-M516 HydrophobicContact CG-CG 4.39Å; F512-M516 HydrophobicContact CZ-CE 4.35Å; F512-M516 HydrophobicContact CZ-CG 3.51Å; F512-M516 HydrophobicContact CZ-SD 3.99Å; F512-M516 WeakPolarHBondContact O-CB 3.18Å; F512-M516 VanDerWaalsContact O-CG 3.32Å; F512-M516 WeakPolarHBondContact O-CG 3.32Å; F512-M516 PolarHBondContact O-N 2.7Å; S513-M516 PolarHBondContact O-N 2.82Å; R514-M516 VanDerWaalsContact C-N 3.33Å; R514-M516 PolarHBondContact O-N 3.41Å; M516-L519 PolarHBondContact O-N 3.23Å; M516-L519 HydrophobicContact SD-CD2 4.34Å; M516-K520 WeakPolarHBondContact O-CD 3.34Å; M516-K520 WeakPolarHBondContact O-CG 3.21Å; M516-K520 PolarHBondContact O-N 2.86Å; M516-L563 HydrophobicContact CE-CD2 4.37Å; M516-L563 HydrophobicContact SD-CD1 4.2Å; M516-L563 HydrophobicContact SD-CD2 4.05Å; M516-D567 HydrophobicContact CE-CB 3.77Å; M516-D567 WeakPolarHBondContact CE-OD2 3.44Å; M516-F572 HydrophobicContact CE-CE2 3.47Å; M516-F572 VanDerWaalsContact CE-CE2 3.47Å; M516-F572 HydrophobicContact CE-CZ 3.42Å; M516-F572 VanDerWaalsContact CE-CZ 3.42Å; M516-F572 HydrophobicContact SD-CZ 4.34Å
517	E	98.8	Very high	98.7	Very high	124 Å²	124	40.3 Å²	40.3	58%	0.579	22%	0.216	S	C	*	.	H	α-helix	trans	-60.9	-50.1	172	-173.9	-176.9	169.1	0	0	111	S513 R514 L519 K520 A521	S513-E517 PolarHBondContact O-N 3.41Å; S513-E517 VanDerWaalsContact O-N 3.08Å; R514-E517 WeakPolarHBondContact O-CB 3.05Å; R514-E517 PolarHBondContact O-N 2.86Å; E517-L519 PolarHBondContact O-N 3.46Å; E517-K520 PolarHBondContact O-N 3.41Å; E517-A521 PolarHBondContact O-N 3.33Å; E517-A521 VanDerWaalsContact O-N 3.1Å
518	S	98.9	Very high	98.8	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.028	22%	0.215	C	C	.	.	H	α-helix	trans	-58.5	-45.7	175.8	-61.9	0	0	0	0	112.5	Y468 D469 R514 G515 K520 A521 M522	Y468-S518 WeakPolarHBondContact CB-OG 3.39Å; D469-S518 PolarHBondContact N-OG 3.36Å; D469-S518 WeakPolarHBondContact O-CB 3.22Å; D469-S518 PolarHBondContact O-OG 2.94Å; R514-S518 PolarHBondContact O-N 2.82Å; R514-S518 PolarHBondContact O-OG 2.95Å; G515-S518 PolarHBondContact O-N 2.76Å; S518-K520 PolarHBondContact O-N 3.17Å; S518-A521 PolarHBondContact O-N 2.98Å; S518-M522 VanDerWaalsContact O-CB 3.32Å; S518-M522 WeakPolarHBondContact O-CB 3.32Å; S518-M522 VanDerWaalsContact O-CG 3.31Å; S518-M522 WeakPolarHBondContact O-CG 3.48Å; S518-M522 PolarHBondContact O-N 3.28Å
519	L	98.9	Very high	98.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58	-49.8	179	-178.5	59.7	0	0	0	110.8	L483 F486 I487 L490 G515 M516 E517 A521 M522 L523 L563 F572	L483-L519 HydrophobicContact CD1-CD1 3.81Å; F486-L519 HydrophobicContact CD1-CD1 4.32Å; F486-L519 HydrophobicContact CE1-CB 3.92Å; F486-L519 HydrophobicContact CE1-CD1 4.38Å; I487-L519 HydrophobicContact CD1-CD1 4.21Å; I487-L519 HydrophobicContact CD1-CD2 4.45Å; I487-L519 HydrophobicContact CG1-CD1 4Å; I487-L519 HydrophobicContact CG1-CD2 4Å; L490-L519 HydrophobicContact CD1-CB 4.37Å; L490-L519 HydrophobicContact CD1-CD2 4.07Å; G515-L519 WeakPolarHBondContact O-CB 3.08Å; G515-L519 PolarHBondContact O-N 3.19Å; M516-L519 PolarHBondContact O-N 3.23Å; M516-L519 HydrophobicContact SD-CD2 4.34Å; E517-L519 PolarHBondContact O-N 3.46Å; L519-A521 VanDerWaalsContact C-N 3.29Å; L519-A521 PolarHBondContact O-N 3.08Å; L519-M522 PolarHBondContact O-N 2.78Å; L519-L523 HydrophobicContact CD1-CD1 4.41Å; L519-L523 VanDerWaalsContact O-CB 3.23Å; L519-L523 WeakPolarHBondContact O-CB 3Å; L519-L523 PolarHBondContact O-N 3.34Å; L519-L563 HydrophobicContact CD2-CD1 3.32Å; L519-F572 HydrophobicContact CD2-CE1 3.84Å; L519-F572 HydrophobicContact CD2-CZ 4.22Å; L519-F572 HydrophobicContact CG-CE1 4.19Å
520	K	98.8	Very high	98.7	Very high	63 Å²	63	40 Å²	40	27%	0.274	22%	0.218	S	C	.	.	H	α-helix	trans	-59.9	-40.8	-179.9	-69.2	167.9	-172.5	176.6	0	111.4	M516 E517 S518 D567 A569 I571 F572	M516-K520 WeakPolarHBondContact O-CD 3.34Å; M516-K520 WeakPolarHBondContact O-CG 3.21Å; M516-K520 PolarHBondContact O-N 2.86Å; E517-K520 PolarHBondContact O-N 3.41Å; S518-K520 PolarHBondContact O-N 3.17Å; K520-D567 VanDerWaalsContact CE-OD2 3.25Å; K520-D567 WeakPolarHBondContact CE-OD2 3.44Å; K520-D567 IonicContact NZ-OD1 2.82Å; K520-D567 PolarHBondContact NZ-OD1 3.1Å; K520-D567 IonicContact NZ-OD2 2.7Å; K520-D567 PolarHBondContact NZ-OD2 2.89Å; K520-A569 HydrophobicContact CD-CB 4.24Å; K520-I571 HydrophobicContact CB-CG2 4.37Å; K520-I571 HydrophobicContact CG-CG2 3.97Å; K520-I571 WeakPolarHBondContact O-CD1 3.22Å; K520-F572 HydrophobicContact CD-CZ 4.42Å; K520-F572 HydrophobicContact CG-CE1 4.3Å; K520-F572 HydrophobicContact CG-CE2 4.28Å; K520-F572 HydrophobicContact CG-CZ 3.73Å
521	A	98.8	Very high	98.7	Very high	43 Å²	43	35.4 Å²	35.4	36%	0.355	20%	0.2	S	C	.	.	H	α-helix	trans	-71.1	-37.9	179.3	0	0	0	0	0	113.2	Y468 E517 S518 L519	Y468-A521 HydrophobicContact CD1-CB 4Å; Y468-A521 HydrophobicContact CE1-CB 3.44Å; Y468-A521 VanDerWaalsContact CE1-CB 3.44Å; Y468-A521 HydrophobicContact CE2-CB 4.04Å; Y468-A521 VanDerWaalsContact CZ-CB 3.44Å; E517-A521 PolarHBondContact O-N 3.33Å; E517-A521 VanDerWaalsContact O-N 3.1Å; S518-A521 PolarHBondContact O-N 2.98Å; L519-A521 VanDerWaalsContact C-N 3.29Å; L519-A521 PolarHBondContact O-N 3.08Å
522	M	98.8	Very high	98.7	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-94	-16.6	-171.5	-65.3	175.6	62	0	0	114	F464 Y468 W470 F481 S518 L519 P524 L525 F526 L536	F464-M522 HydrophobicContact CB-CE 3.62Å; F464-M522 HydrophobicContact CB-SD 3.74Å; F464-M522 HydrophobicContact CD1-CE 3.95Å; F464-M522 HydrophobicContact CD1-CG 4.32Å; F464-M522 HydrophobicContact CD1-SD 4.1Å; F464-M522 HydrophobicContact CD2-CE 3.74Å; F464-M522 HydrophobicContact CE2-CE 4.39Å; F464-M522 HydrophobicContact CG-CE 3.49Å; F464-M522 VanDerWaalsContact CG-CE 3.49Å; F464-M522 HydrophobicContact CG-SD 3.98Å; Y468-M522 HydrophobicContact CD2-CG 4.28Å; Y468-M522 HydrophobicContact CG-CG 4.48Å; Y468-M522 HydrophobicContact CG-SD 4.4Å; W470-M522 HydrophobicContact CD2-CE 4.42Å; W470-M522 HydrophobicContact CE3-CE 3.7Å; W470-M522 HydrophobicContact CE3-SD 3.62Å; W470-M522 HydrophobicContact CZ3-CB 4.25Å; W470-M522 HydrophobicContact CZ3-CE 3.77Å; W470-M522 HydrophobicContact CZ3-SD 3.82Å; F481-M522 HydrophobicContact CD1-CE 3.99Å; F481-M522 HydrophobicContact CG-CE 4.47Å; S518-M522 VanDerWaalsContact O-CB 3.32Å; S518-M522 WeakPolarHBondContact O-CB 3.32Å; S518-M522 VanDerWaalsContact O-CG 3.31Å; S518-M522 WeakPolarHBondContact O-CG 3.48Å; S518-M522 PolarHBondContact O-N 3.28Å; L519-M522 PolarHBondContact O-N 2.78Å; M522-P524 VanDerWaalsContact C-N 3.32Å; M522-L525 HydrophobicContact CB-CD1 4.42Å; M522-L525 VanDerWaalsContact O-CB 3.27Å; M522-L525 WeakPolarHBondContact O-CB 3.42Å; M522-L525 WeakPolarHBondContact O-CG 3.47Å; M522-L525 PolarHBondContact O-N 3.34Å; M522-F526 WeakPolarHBondContact O-CD2 3.23Å; M522-L536 HydrophobicContact CE-CD1 3.71Å
523	L	98.6	Very high	98.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-52.4	-38.8	-176.1	-170.8	57.7	0	0	0	114.6	L483 L519 L525 F526 L560 I571 F572 V575 W579	L483-L523 HydrophobicContact CD1-CD1 4.45Å; L483-L523 HydrophobicContact CD2-CD1 4.33Å; L519-L523 HydrophobicContact CD1-CD1 4.41Å; L519-L523 VanDerWaalsContact O-CB 3.23Å; L519-L523 WeakPolarHBondContact O-CB 3Å; L519-L523 PolarHBondContact O-N 3.34Å; L523-L525 PolarHBondContact O-N 3.35Å; L523-F526 PolarHBondContact O-N 2.65Å; L523-F526 VanDerWaalsContact O-N 3.16Å; L523-L560 HydrophobicContact CD1-CD1 4.08Å; L523-L560 HydrophobicContact CD1-CD2 4.08Å; L523-L560 HydrophobicContact CD2-CD1 4.08Å; L523-L560 HydrophobicContact CD2-CD2 3.84Å; L523-I571 HydrophobicContact CB-CD1 4.4Å; L523-I571 HydrophobicContact CD2-CD1 4.48Å; L523-I571 HydrophobicContact CD2-CG1 4.35Å; L523-F572 HydrophobicContact CD2-CD1 4.3Å; L523-V575 HydrophobicContact CD2-CB 4.09Å; L523-V575 HydrophobicContact CD2-CG1 4.05Å; L523-V575 HydrophobicContact CD2-CG2 3.78Å; L523-V575 HydrophobicContact CG-CG1 4.28Å; L523-V575 HydrophobicContact CG-CG2 4.22Å; L523-W579 HydrophobicContact CD1-CH2 3.92Å; L523-W579 HydrophobicContact CD1-CZ2 4.47Å
524	P	98.6	Very high	98.7	Very high	76 Å²	76	31.4 Å²	31.4	49%	0.494	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-60.3	-27.4	175.9	-25.4	36.3	0	0	0	114.5	M522 F526 D527	M522-P524 VanDerWaalsContact C-N 3.32Å; P524-F526 PolarHBondContact O-N 3.01Å; P524-D527 PolarHBondContact O-N 3.32Å; P524-D527 VanDerWaalsContact O-N 3.16Å
525	L	98.8	Very high	98.7	Very high	74 Å²	74	26.7 Å²	26.7	39%	0.387	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-66.5	-17.7	179.1	-58.3	177.2	0	0	0	112.8	F464 M522 L523 L536	F464-L525 HydrophobicContact CE1-CD1 3.86Å; F464-L525 HydrophobicContact CE2-CD1 4.45Å; F464-L525 HydrophobicContact CZ-CD1 3.68Å; M522-L525 HydrophobicContact CB-CD1 4.42Å; M522-L525 VanDerWaalsContact O-CB 3.27Å; M522-L525 WeakPolarHBondContact O-CB 3.42Å; M522-L525 WeakPolarHBondContact O-CG 3.47Å; M522-L525 PolarHBondContact O-N 3.34Å; L523-L525 PolarHBondContact O-N 3.35Å; L525-L536 HydrophobicContact CB-CD1 4.48Å; L525-L536 HydrophobicContact CB-CD2 3.91Å; L525-L536 HydrophobicContact CD1-CD1 4.01Å
526	F	98.8	Very high	98.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-96.4	-0.2	178.9	-63.5	-90.8	0	0	0	112.9	W470 F481 L483 M522 L523 P524 S532 I533 L536 W579	W470-F526 AromaticContact CH2-CE2 3.87Å; W470-F526 HydrophobicContact CH2-CE2 3.87Å; W470-F526 AromaticContact CH2-CZ 3.79Å; W470-F526 HydrophobicContact CH2-CZ 3.79Å; W470-F526 HydrophobicContact CZ2-CZ 4.11Å; W470-F526 HydrophobicContact CZ3-CE2 4.49Å; F481-F526 WeakPolarHBondContact O-CE1 3.23Å; F481-F526 VanDerWaalsContact O-CZ 3.32Å; F481-F526 WeakPolarHBondContact O-CZ 3.45Å; L483-F526 HydrophobicContact CB-CD1 3.81Å; L483-F526 HydrophobicContact CB-CE1 3.66Å; L483-F526 HydrophobicContact CB-CG 4.36Å; L483-F526 HydrophobicContact CB-CZ 4.09Å; L483-F526 HydrophobicContact CD1-CD2 4.13Å; L483-F526 HydrophobicContact CD1-CE2 4.06Å; L483-F526 HydrophobicContact CD1-CG 4.4Å; L483-F526 HydrophobicContact CD1-CZ 4.26Å; L483-F526 HydrophobicContact CD2-CB 3.92Å; L483-F526 HydrophobicContact CD2-CD1 4.02Å; L483-F526 HydrophobicContact CD2-CD2 4.31Å; L483-F526 HydrophobicContact CD2-CG 3.83Å; L483-F526 HydrophobicContact CG-CD1 4.36Å; L483-F526 HydrophobicContact CG-CE1 4.49Å; L483-F526 HydrophobicContact CG-CG 4.43Å; M522-F526 WeakPolarHBondContact O-CD2 3.23Å; L523-F526 PolarHBondContact O-N 2.65Å; L523-F526 VanDerWaalsContact O-N 3.16Å; P524-F526 PolarHBondContact O-N 3.01Å; F526-S532 CarbonylContact O-C 3.57Å; F526-S532 WeakPolarHBondContact O-CA 3.25Å; F526-S532 WeakPolarHBondContact O-CB 3.28Å; F526-I533 HydrophobicContact CD1-CB 4.49Å; F526-I533 WeakPolarHBondContact CD1-O 3.31Å; F526-I533 PolarHBondContact O-N 3.13Å; F526-L536 HydrophobicContact CD1-CD2 3.96Å; F526-L536 HydrophobicContact CD2-CD2 4.27Å; F526-L536 HydrophobicContact CE1-CD2 3.64Å; F526-L536 HydrophobicContact CE1-CG 3.8Å; F526-L536 HydrophobicContact CE2-CD1 4.14Å; F526-L536 HydrophobicContact CE2-CD2 3.97Å; F526-L536 HydrophobicContact CE2-CG 4.12Å; F526-L536 HydrophobicContact CG-CD2 4.28Å; F526-L536 HydrophobicContact CZ-CD1 3.92Å; F526-L536 HydrophobicContact CZ-CD2 3.66Å; F526-L536 HydrophobicContact CZ-CG 3.53Å; F526-W579 HydrophobicContact CB-CH2 4.4Å
527	D	98.8	Very high	98.7	Very high	31 Å²	31	28.6 Å²	28.6	17%	0.166	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-97.9	119.3	-178.3	-165.7	-29.9	0	0	0	110.9	P524 G529 R578 W579 Y582	P524-D527 PolarHBondContact O-N 3.32Å; P524-D527 VanDerWaalsContact O-N 3.16Å; D527-G529 WeakPolarHBondContact OD1-CA 3.27Å; D527-G529 PolarHBondContact OD1-N 2.85Å; D527-R578 IonicContact OD2-CZ 2.74Å; D527-R578 IonicContact OD2-NE 2.66Å; D527-R578 PolarHBondContact OD2-NE 3.11Å; D527-R578 IonicContact OD2-NH2 3.47Å; D527-R578 PolarHBondContact OD2-NH2 3.48Å; D527-W579 HydrophobicContact CB-CZ2 4.27Å; D527-W579 VanDerWaalsContact CG-NE1 3.27Å; D527-W579 PolarHBondContact OD2-NE1 2.83Å; D527-Y582 WeakPolarHBondContact OD1-CE2 3.49Å; D527-Y582 PolarHBondContact OD1-OH 3.05Å; D527-Y582 PolarHBondContact OD2-OH 2.97Å
528	T	98.6	Very high	98.6	Very high	56 Å²	56	24.7 Å²	24.7	34%	0.344	14%	0.144	S	C	.	.			trans	-91.3	0.5	179.1	66.9	0	0	0	0	113.4	S530 G531 I533 L547	T528-S530 PolarHBondContact O-N 3.21Å; T528-S530 PolarHBondContact OG1-N 2.83Å; T528-G531 PolarHBondContact N-O 3.39Å; T528-G531 PolarHBondContact OG1-N 2.88Å; T528-G531 PolarHBondContact OG1-O 3.34Å; T528-I533 HydrophobicContact CG2-CD1 4.06Å; T528-I533 HydrophobicContact CG2-CG1 3.46Å; T528-I533 VanDerWaalsContact CG2-CG1 3.46Å; T528-L547 HydrophobicContact CG2-CD2 3.93Å
529	G	98.5	Very high	98.6	Very high	15 Å²	15	29.8 Å²	29.8	16%	0.155	17%	0.166	C	C	.	.	S	Bend	trans	77.5	-3.5	-168.9	0	0	0	0	0	114.3	D527 Y582 R587 A588	D527-G529 WeakPolarHBondContact OD1-CA 3.27Å; D527-G529 PolarHBondContact OD1-N 2.85Å; G529-Y582 VanDerWaalsContact C-CZ 3.46Å; G529-Y582 VanDerWaalsContact CA-OH 3.32Å; G529-Y582 WeakPolarHBondContact CA-OH 3.48Å; G529-Y582 WeakPolarHBondContact O-CE1 3.5Å; G529-R587 CarbonylContact O-C 3.53Å; G529-R587 WeakPolarHBondContact O-CA 3.48Å; G529-A588 PolarHBondContact O-N 3.12Å
530	S	98.4	Very high	98.5	Very high	29 Å²	29	32.8 Å²	32.8	20%	0.203	18%	0.181	C	C	.	.	S	Bend	trans	-151.5	6.6	177.9	54.4	0	0	0	0	114.7	T528 R587	T528-S530 PolarHBondContact O-N 3.21Å; T528-S530 PolarHBondContact OG1-N 2.83Å; S530-R587 VanDerWaalsContact CB-CZ 3.48Å; S530-R587 PolarHBondContact OG-NH1 3.36Å; S530-R587 PolarHBondContact OG-NH2 3.27Å
531	G	98.6	Very high	98.5	Very high	11 Å²	11	32.1 Å²	32.1	11%	0.113	18%	0.18	C	C	.	.	S	Bend	trans	-178.9	-163.7	-179.1	0	0	0	0	0	109.1	T528 Y582	T528-G531 PolarHBondContact N-O 3.39Å; T528-G531 PolarHBondContact OG1-N 2.88Å; T528-G531 PolarHBondContact OG1-O 3.34Å; G531-Y582 WeakPolarHBondContact O-CE2 3.34Å
532	S	98.8	Very high	98.4	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.014	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-126.4	154.4	171.7	61.5	0	0	0	0	112.2	F526 A548 H553 H556	F526-S532 CarbonylContact O-C 3.57Å; F526-S532 WeakPolarHBondContact O-CA 3.25Å; F526-S532 WeakPolarHBondContact O-CB 3.28Å; S532-A548 WeakPolarHBondContact O-CB 3.16Å; S532-A548 PolarHBondContact O-N 3.45Å; S532-H553 WeakPolarHBondContact CB-ND1 3.32Å; S532-H553 PolarHBondContact N-ND1 3.26Å; S532-H553 PolarHBondContact OG-ND1 3.19Å; S532-H556 PolarHBondContact OG-ND1 3.01Å
533	I	98.7	Very high	98.3	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.051	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-86.4	145.6	171.4	-46.7	179.2	0	0	0	108.8	F526 T528 D535 H538 P545 N546	F526-I533 HydrophobicContact CD1-CB 4.49Å; F526-I533 WeakPolarHBondContact CD1-O 3.31Å; F526-I533 PolarHBondContact O-N 3.13Å; T528-I533 HydrophobicContact CG2-CD1 4.06Å; T528-I533 HydrophobicContact CG2-CG1 3.46Å; T528-I533 VanDerWaalsContact CG2-CG1 3.46Å; I533-D535 WeakPolarHBondContact CG2-O 3.17Å; I533-H538 VanDerWaalsContact CD1-CE1 3.45Å; I533-H538 WeakPolarHBondContact CD1-CE1 3.32Å; I533-P545 HydrophobicContact CD1-CB 4.18Å; I533-P545 HydrophobicContact CG2-CB 4.3Å; I533-N546 VanDerWaalsContact CG2-O 3.22Å; I533-N546 WeakPolarHBondContact CG2-O 3.39Å
534	Y	98.8	Very high	98.3	Very high	17 Å²	17	40.6 Å²	40.6	7%	0.067	25%	0.25	C	C	.	.	S	Bend	trans	-75.4	-40.9	178.6	-173.9	-106.7	0	0	0	112.3	E473 V482 L483 N484 N546 Y552	E473-Y534 PolarHBondContact OE1-OH 3.2Å; V482-Y534 HydrophobicContact CB-CE1 4.41Å; V482-Y534 HydrophobicContact CG1-CD1 4.09Å; V482-Y534 HydrophobicContact CG1-CE1 3.49Å; V482-Y534 VanDerWaalsContact CG1-CE1 3.49Å; V482-Y534 HydrophobicContact CG1-CE2 4.1Å; V482-Y534 HydrophobicContact CG2-CD1 4.48Å; V482-Y534 HydrophobicContact CG2-CE1 4.01Å; L483-Y534 PolarHBondContact N-O 3.33Å; L483-Y534 VanDerWaalsContact N-O 3.08Å; N484-Y534 WeakPolarHBondContact OD1-CE2 3.36Å; N484-Y534 PolarHBondContact OD1-OH 3.24Å; Y534-N546 WeakPolarHBondContact CB-O 3.32Å; Y534-N546 PolarHBondContact N-O 3.34Å; Y534-Y552 HydrophobicContact CD2-CD1 4.31Å; Y534-Y552 AromaticContact CD2-CD2 3.66Å; Y534-Y552 HydrophobicContact CD2-CD2 3.66Å; Y534-Y552 AromaticContact CD2-CE2 3.87Å; Y534-Y552 HydrophobicContact CD2-CE2 3.87Å; Y534-Y552 AromaticContact CD2-CG 3.91Å; Y534-Y552 HydrophobicContact CD2-CG 3.91Å; Y534-Y552 AromaticContact CE2-CD1 3.77Å; Y534-Y552 HydrophobicContact CE2-CD1 3.77Å; Y534-Y552 AromaticContact CE2-CD2 3.51Å; Y534-Y552 HydrophobicContact CE2-CD2 3.51Å; Y534-Y552 AromaticContact CE2-CE1 3.6Å; Y534-Y552 HydrophobicContact CE2-CE1 3.6Å; Y534-Y552 AromaticContact CE2-CE2 3.26Å; Y534-Y552 HydrophobicContact CE2-CE2 3.26Å; Y534-Y552 AromaticContact CE2-CG 3.76Å; Y534-Y552 HydrophobicContact CE2-CG 3.76Å; Y534-Y552 AromaticContact CE2-CZ 3.36Å; Y534-Y552 AromaticContact CZ-CE2 3.92Å; Y534-Y552 AromaticContact CZ-CZ 3.85Å; Y534-Y552 PolarHBondContact OH-OH 2.65Å
535	D	98.8	Very high	98.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.247	C	C	.	.			trans	-151.9	166.2	-174.1	65.3	50.2	0	0	0	111.5	S480 V482 I533 R537 H538 N546	S480-D535 WeakPolarHBondContact O-CB 3.49Å; V482-D535 HydrophobicContact CB-CB 4.43Å; V482-D535 HydrophobicContact CG2-CB 3.9Å; I533-D535 WeakPolarHBondContact CG2-O 3.17Å; D535-R537 VanDerWaalsContact C-N 3.29Å; D535-R537 PolarHBondContact O-N 3.16Å; D535-R537 WeakPolarHBondContact OD1-CB 3.19Å; D535-R537 WeakPolarHBondContact OD1-CG 3.44Å; D535-R537 IonicContact OD1-CZ 3.85Å; D535-R537 PolarHBondContact OD1-N 3.39Å; D535-R537 IonicContact OD1-NE 2.87Å; D535-R537 PolarHBondContact OD1-NE 3.36Å; D535-R537 IonicContact OD1-NH2 2.77Å; D535-R537 IonicContact OD2-CZ 3.25Å; D535-R537 VanDerWaalsContact OD2-CZ 3.25Å; D535-R537 IonicContact OD2-NE 3.03Å; D535-R537 PolarHBondContact OD2-NE 3.34Å; D535-R537 IonicContact OD2-NH2 3.27Å; D535-R537 PolarHBondContact OD2-NH2 3.4Å; D535-H538 PolarHBondContact O-ND1 3.08Å; D535-N546 PolarHBondContact OD2-ND2 3.06Å
536	L	98.7	Very high	98.3	Very high	1 Å²	1	39 Å²	39	1%	0.005	24%	0.241	C	C	.	.	S	Bend	trans	-91.4	25.7	-178.3	-56.5	-177	0	0	0	113.2	F464 S480 F481 M522 L525 F526 H538 F539 M540	F464-L536 HydrophobicContact CD2-CD1 4.21Å; F464-L536 HydrophobicContact CE2-CD1 3.85Å; F464-L536 HydrophobicContact CZ-CD1 4.44Å; S480-L536 PolarHBondContact O-N 3.33Å; S480-L536 VanDerWaalsContact O-N 3.11Å; F481-L536 HydrophobicContact CB-CB 3.99Å; F481-L536 HydrophobicContact CB-CD1 3.96Å; F481-L536 HydrophobicContact CB-CG 3.92Å; F481-L536 HydrophobicContact CD2-CB 4.36Å; F481-L536 HydrophobicContact CG-CD1 4.33Å; M522-L536 HydrophobicContact CE-CD1 3.71Å; L525-L536 HydrophobicContact CB-CD1 4.48Å; L525-L536 HydrophobicContact CB-CD2 3.91Å; L525-L536 HydrophobicContact CD1-CD1 4.01Å; F526-L536 HydrophobicContact CD1-CD2 3.96Å; F526-L536 HydrophobicContact CD2-CD2 4.27Å; F526-L536 HydrophobicContact CE1-CD2 3.64Å; F526-L536 HydrophobicContact CE1-CG 3.8Å; F526-L536 HydrophobicContact CE2-CD1 4.14Å; F526-L536 HydrophobicContact CE2-CD2 3.97Å; F526-L536 HydrophobicContact CE2-CG 4.12Å; F526-L536 HydrophobicContact CG-CD2 4.28Å; F526-L536 HydrophobicContact CZ-CD1 3.92Å; F526-L536 HydrophobicContact CZ-CD2 3.66Å; F526-L536 HydrophobicContact CZ-CG 3.53Å; L536-H538 PolarHBondContact O-N 3.36Å; L536-H538 VanDerWaalsContact O-N 3.12Å; L536-F539 PolarHBondContact O-N 3.29Å; L536-M540 WeakPolarHBondContact O-CG 3.46Å; L536-M540 PolarHBondContact O-N 3.24Å
537	R	98.1	Very high	98.2	Very high	42 Å²	42	44.4 Å²	44.4	16%	0.158	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-29.8	-179.4	77.5	179.4	64.8	-168	-6.7	113.6	F408 D535 F539 M540 L541 N546	F408-R537 HydrophobicContact CE2-CB 3.87Å; F408-R537 HydrophobicContact CZ-CB 3.75Å; D535-R537 VanDerWaalsContact C-N 3.29Å; D535-R537 PolarHBondContact O-N 3.16Å; D535-R537 WeakPolarHBondContact OD1-CB 3.19Å; D535-R537 WeakPolarHBondContact OD1-CG 3.44Å; D535-R537 IonicContact OD1-CZ 3.85Å; D535-R537 PolarHBondContact OD1-N 3.39Å; D535-R537 IonicContact OD1-NE 2.87Å; D535-R537 PolarHBondContact OD1-NE 3.36Å; D535-R537 IonicContact OD1-NH2 2.77Å; D535-R537 IonicContact OD2-CZ 3.25Å; D535-R537 VanDerWaalsContact OD2-CZ 3.25Å; D535-R537 IonicContact OD2-NE 3.03Å; D535-R537 PolarHBondContact OD2-NE 3.34Å; D535-R537 IonicContact OD2-NH2 3.27Å; D535-R537 PolarHBondContact OD2-NH2 3.4Å; R537-F539 VanDerWaalsContact C-N 3.31Å; R537-F539 PolarHBondContact O-N 2.89Å; R537-M540 PolarHBondContact O-N 2.88Å; R537-L541 HydrophobicContact CB-CD1 4.26Å; R537-L541 WeakPolarHBondContact O-CA 3.12Å; R537-L541 VanDerWaalsContact O-CB 3.24Å; R537-L541 WeakPolarHBondContact O-CB 3.21Å; R537-L541 PolarHBondContact O-N 2.95Å; R537-N546 HydrophobicContact CG-CB 4.12Å; R537-N546 PolarHBondContact NH2-ND2 3.45Å; R537-N546 VanDerWaalsContact NH2-ND2 3.16Å
538	H	98.3	Very high	98.2	Very high	43 Å²	43	43.5 Å²	43.5	20%	0.199	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-40.2	178.8	59.9	-77.1	0	0	0	111.7	I533 D535 L536 G542 T543 P545	I533-H538 VanDerWaalsContact CD1-CE1 3.45Å; I533-H538 WeakPolarHBondContact CD1-CE1 3.32Å; D535-H538 PolarHBondContact O-ND1 3.08Å; L536-H538 PolarHBondContact O-N 3.36Å; L536-H538 VanDerWaalsContact O-N 3.12Å; H538-G542 VanDerWaalsContact O-CA 3.28Å; H538-G542 WeakPolarHBondContact O-CA 3.12Å; H538-G542 PolarHBondContact O-N 3.1Å; H538-T543 WeakPolarHBondContact CA-O 3.43Å; H538-T543 WeakPolarHBondContact CB-O 3.3Å; H538-T543 PolarHBondContact O-N 3.37Å; H538-P545 HydrophobicContact CB-CB 4.43Å; H538-P545 HydrophobicContact CB-CG 4.18Å
539	F	97.8	Very high	98.2	Very high	111 Å²	111	47 Å²	47	49%	0.487	27%	0.273	S	S	.	.	H	α-helix	trans	-73.3	-43	174.3	-175.8	-95.1	0	0	0	111.8	F464 M465 L536 R537	F464-F539 AromaticContact CE2-CD1 3.74Å; F464-F539 HydrophobicContact CE2-CD1 3.74Å; F464-F539 AromaticContact CE2-CE1 3.75Å; F464-F539 HydrophobicContact CE2-CE1 3.75Å; F464-F539 HydrophobicContact CZ-CD1 4.05Å; F464-F539 AromaticContact CZ-CE1 3.77Å; F464-F539 HydrophobicContact CZ-CE1 3.77Å; F464-F539 HydrophobicContact CZ-CZ 4.23Å; M465-F539 HydrophobicContact CE-CZ 4.25Å; M465-F539 HydrophobicContact CG-CE1 4.25Å; M465-F539 HydrophobicContact CG-CZ 4.43Å; M465-F539 HydrophobicContact SD-CE1 4.14Å; M465-F539 HydrophobicContact SD-CZ 3.77Å; L536-F539 PolarHBondContact O-N 3.29Å; R537-F539 VanDerWaalsContact C-N 3.31Å; R537-F539 PolarHBondContact O-N 2.89Å
540	M	97.8	Very high	98.2	Very high	63 Å²	63	48.1 Å²	48.1	31%	0.31	27%	0.273	S	S	.	.	H	α-helix	trans	-76.2	-28.9	-174.2	-62	-55.2	-59.7	0	0	114.3	P478 S479 F481 L536 R537	P478-M540 HydrophobicContact CB-CE 4.35Å; S479-M540 WeakPolarHBondContact O-CG 3.41Å; F481-M540 HydrophobicContact CD2-CG 3.93Å; F481-M540 HydrophobicContact CD2-SD 4.14Å; F481-M540 HydrophobicContact CE2-CE 3.96Å; F481-M540 HydrophobicContact CE2-CG 3.94Å; F481-M540 HydrophobicContact CE2-SD 3.62Å; L536-M540 WeakPolarHBondContact O-CG 3.46Å; L536-M540 PolarHBondContact O-N 3.24Å; R537-M540 PolarHBondContact O-N 2.88Å
541	L	97.8	Very high	98.1	Very high	48 Å²	48	49 Å²	49	25%	0.251	28%	0.276	S	S	.	.	H	α-helix	trans	-114.8	-6.7	-175.6	-57.8	178.1	0	0	0	113.5	E406 F408 P478 R537 T543	E406-L541 WeakPolarHBondContact O-CD1 3.46Å; F408-L541 HydrophobicContact CD2-CD1 3.99Å; F408-L541 HydrophobicContact CE1-CD1 4.21Å; F408-L541 HydrophobicContact CE1-CD2 4.5Å; F408-L541 HydrophobicContact CE1-CG 4.46Å; F408-L541 HydrophobicContact CE2-CD1 3.57Å; F408-L541 HydrophobicContact CG-CD1 4.5Å; F408-L541 HydrophobicContact CZ-CD1 3.7Å; F408-L541 HydrophobicContact CZ-CG 4.21Å; P478-L541 HydrophobicContact CG-CD2 3.48Å; P478-L541 VanDerWaalsContact CG-CD2 3.48Å; R537-L541 HydrophobicContact CB-CD1 4.26Å; R537-L541 WeakPolarHBondContact O-CA 3.12Å; R537-L541 VanDerWaalsContact O-CB 3.24Å; R537-L541 WeakPolarHBondContact O-CB 3.21Å; R537-L541 PolarHBondContact O-N 2.95Å; L541-T543 HydrophobicContact CB-CG2 3.93Å
542	G	97	Very high	98.1	Very high	72 Å²	72	50.8 Å²	50.8	74%	0.742	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	36.9	-174.4	0	0	0	0	0	113	H538	H538-G542 VanDerWaalsContact O-CA 3.28Å; H538-G542 WeakPolarHBondContact O-CA 3.12Å; H538-G542 PolarHBondContact O-N 3.1Å
543	T	97.1	Very high	98.1	Very high	71 Å²	71	50.7 Å²	50.7	44%	0.436	28%	0.279	S	S	.	.			trans	-116	177.1	-177	58.6	0	0	0	0	111.6	H538 L541	H538-T543 WeakPolarHBondContact CA-O 3.43Å; H538-T543 WeakPolarHBondContact CB-O 3.3Å; H538-T543 PolarHBondContact O-N 3.37Å; L541-T543 HydrophobicContact CB-CG2 3.93Å
544	A	98	Very high	98.1	Very high	80 Å²	80	50.4 Å²	50.4	66%	0.661	28%	0.277	S	S	*	.			trans	-62.8	147.8	174.5	0	0	0	0	0	112.2	N546	A544-N546 PolarHBondContact O-N 3.26Å
545	P	98.2	Very high	98.1	Very high	66 Å²	66	50.3 Å²	50.3	43%	0.429	28%	0.278	S	S	.	.			trans	-54.4	131.4	172.5	-27.4	36.5	0	0	0	113.1	I533 H538 L547	I533-P545 HydrophobicContact CD1-CB 4.18Å; I533-P545 HydrophobicContact CG2-CB 4.3Å; H538-P545 HydrophobicContact CB-CB 4.43Å; H538-P545 HydrophobicContact CB-CG 4.18Å; P545-L547 HydrophobicContact CB-CD2 4.06Å; P545-L547 PolarHBondContact O-N 2.85Å
546	N	98.3	Very high	98.1	Very high	51 Å²	51	50.3 Å²	50.3	27%	0.273	28%	0.278	S	S	.	.			trans	-81.9	90.4	167.1	-178	27	0	0	0	109.2	I533 Y534 D535 R537 A544	I533-N546 VanDerWaalsContact CG2-O 3.22Å; I533-N546 WeakPolarHBondContact CG2-O 3.39Å; Y534-N546 WeakPolarHBondContact CB-O 3.32Å; Y534-N546 PolarHBondContact N-O 3.34Å; D535-N546 PolarHBondContact OD2-ND2 3.06Å; R537-N546 HydrophobicContact CG-CB 4.12Å; R537-N546 PolarHBondContact NH2-ND2 3.45Å; R537-N546 VanDerWaalsContact NH2-ND2 3.16Å; A544-N546 PolarHBondContact O-N 3.26Å
547	L	98.4	Very high	98.1	Very high	113 Å²	113	50.2 Å²	50.2	59%	0.592	28%	0.278	S	S	*	.	B	Isolated β-bridge	trans	-63.2	136	-177.3	-59.8	-178.7	0	0	0	111.3	T528 P545 R549	T528-L547 HydrophobicContact CG2-CD2 3.93Å; P545-L547 HydrophobicContact CB-CD2 4.06Å; P545-L547 PolarHBondContact O-N 2.85Å; L547-R549 PolarHBondContact O-N 3.49Å
548	A	98.5	Very high	98.2	Very high	13 Å²	13	48.8 Å²	48.8	11%	0.107	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-75.3	118.1	172.8	0	0	0	0	0	109	S532	S532-A548 WeakPolarHBondContact O-CB 3.16Å; S532-A548 PolarHBondContact O-N 3.45Å
549	R	98.1	Very high	98.2	Very high	129 Å²	129	46.8 Å²	46.8	49%	0.487	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-54.6	156.9	167.4	49.4	165.1	-148.3	-77.3	-15.1	111.5	L547 D551 Y552 H553	L547-R549 PolarHBondContact O-N 3.49Å; R549-D551 VanDerWaalsContact C-N 3.3Å; R549-D551 WeakPolarHBondContact CD-OD1 3.37Å; R549-D551 WeakPolarHBondContact CG-OD1 3.44Å; R549-D551 IonicContact CZ-OD1 2.77Å; R549-D551 IonicContact CZ-OD2 2.76Å; R549-D551 VanDerWaalsContact CZ-OD2 3.28Å; R549-D551 IonicContact NE-OD1 3.68Å; R549-D551 PolarHBondContact NE-OD1 3.44Å; R549-D551 IonicContact NE-OD2 3.95Å; R549-D551 PolarHBondContact NE-OD2 3.47Å; R549-D551 IonicContact NH2-OD1 2.65Å; R549-D551 IonicContact NH2-OD2 3.44Å; R549-D551 PolarHBondContact NH2-OD2 3.27Å; R549-D551 PolarHBondContact O-N 2.87Å; R549-D551 VanDerWaalsContact O-N 3.14Å; R549-Y552 HydrophobicContact CG-CD2 3.91Å; R549-Y552 WeakPolarHBondContact O-CA 3.37Å; R549-Y552 WeakPolarHBondContact O-CB 3.43Å; R549-Y552 PolarHBondContact O-N 2.79Å; R549-H553 PolarHBondContact O-N 3.39Å
550	W	98.3	Very high	98.2	Very high	38 Å²	38	41.5 Å²	41.5	14%	0.144	24%	0.241	C	C	.	.	H	α-helix	trans	-57	-33.3	-167.7	-68.9	120.1	0	0	0	115.6	Y113 H129 Y131 H553 T554 L583	Y113-W550 AromaticContact CE2-CD1 3.83Å; Y113-W550 AromaticContact CE2-NE1 3.96Å; H129-W550 AromaticContact CD2-CH2 3.85Å; H129-W550 AromaticContact CD2-CZ2 3.67Å; H129-W550 AromaticContact NE2-CZ2 3.83Å; Y131-W550 HydrophobicContact CD1-CB 3.93Å; Y131-W550 AromaticContact CD1-CD1 3.81Å; Y131-W550 HydrophobicContact CD1-CG 4.25Å; Y131-W550 HydrophobicContact CE1-CB 3.6Å; Y131-W550 AromaticContact CE1-CD1 3.76Å; Y131-W550 HydrophobicContact CE1-CG 4.08Å; Y131-W550 HydrophobicContact CE2-CB 4.34Å; Y131-W550 HydrophobicContact CG-CB 4.47Å; W550-H553 HydrophobicContact CE3-CB 4.17Å; W550-H553 AromaticContact CE3-CD2 3.86Å; W550-H553 AromaticContact CZ3-CD2 3.74Å; W550-H553 PolarHBondContact O-N 3.06Å; W550-T554 WeakPolarHBondContact O-CG2 3.29Å; W550-T554 PolarHBondContact O-N 3.14Å; W550-T554 PolarHBondContact O-OG1 3.38Å; W550-L583 HydrophobicContact CE3-CD2 3.79Å; W550-L583 HydrophobicContact CZ3-CD2 4.09Å
551	D	97	Very high	98.2	Very high	49 Å²	49	40 Å²	40	26%	0.262	23%	0.233	S	C	.	.	H	α-helix	trans	-65	-39.9	173	62.2	-21.3	0	0	0	112.8	Y131 R549 T554 T555	Y131-D551 HydrophobicContact CE2-CB 3.99Å; Y131-D551 PolarHBondContact OH-N 2.66Å; Y131-D551 PolarHBondContact OH-OD1 3.16Å; R549-D551 VanDerWaalsContact C-N 3.3Å; R549-D551 WeakPolarHBondContact CD-OD1 3.37Å; R549-D551 WeakPolarHBondContact CG-OD1 3.44Å; R549-D551 IonicContact CZ-OD1 2.77Å; R549-D551 IonicContact CZ-OD2 2.76Å; R549-D551 VanDerWaalsContact CZ-OD2 3.28Å; R549-D551 IonicContact NE-OD1 3.68Å; R549-D551 PolarHBondContact NE-OD1 3.44Å; R549-D551 IonicContact NE-OD2 3.95Å; R549-D551 PolarHBondContact NE-OD2 3.47Å; R549-D551 IonicContact NH2-OD1 2.65Å; R549-D551 IonicContact NH2-OD2 3.44Å; R549-D551 PolarHBondContact NH2-OD2 3.27Å; R549-D551 PolarHBondContact O-N 2.87Å; R549-D551 VanDerWaalsContact O-N 3.14Å; D551-T554 WeakPolarHBondContact CA-OG1 3.45Å; D551-T554 PolarHBondContact O-N 3.28Å; D551-T554 PolarHBondContact O-OG1 2.86Å; D551-T555 WeakPolarHBondContact O-CB 3.5Å; D551-T555 PolarHBondContact O-N 2.65Å; D551-T555 PolarHBondContact O-OG1 2.91Å
552	Y	98.6	Very high	98.3	Very high	47 Å²	47	38 Å²	38	18%	0.184	22%	0.222	C	C	.	.	H	α-helix	trans	-69	-39	171.3	-84	-50.9	0	0	0	112	Y534 R549 T554 T555 H556	Y534-Y552 HydrophobicContact CD2-CD1 4.31Å; Y534-Y552 AromaticContact CD2-CD2 3.66Å; Y534-Y552 HydrophobicContact CD2-CD2 3.66Å; Y534-Y552 AromaticContact CD2-CE2 3.87Å; Y534-Y552 HydrophobicContact CD2-CE2 3.87Å; Y534-Y552 AromaticContact CD2-CG 3.91Å; Y534-Y552 HydrophobicContact CD2-CG 3.91Å; Y534-Y552 AromaticContact CE2-CD1 3.77Å; Y534-Y552 HydrophobicContact CE2-CD1 3.77Å; Y534-Y552 AromaticContact CE2-CD2 3.51Å; Y534-Y552 HydrophobicContact CE2-CD2 3.51Å; Y534-Y552 AromaticContact CE2-CE1 3.6Å; Y534-Y552 HydrophobicContact CE2-CE1 3.6Å; Y534-Y552 AromaticContact CE2-CE2 3.26Å; Y534-Y552 HydrophobicContact CE2-CE2 3.26Å; Y534-Y552 AromaticContact CE2-CG 3.76Å; Y534-Y552 HydrophobicContact CE2-CG 3.76Å; Y534-Y552 AromaticContact CE2-CZ 3.36Å; Y534-Y552 AromaticContact CZ-CE2 3.92Å; Y534-Y552 AromaticContact CZ-CZ 3.85Å; Y534-Y552 PolarHBondContact OH-OH 2.65Å; R549-Y552 HydrophobicContact CG-CD2 3.91Å; R549-Y552 WeakPolarHBondContact O-CA 3.37Å; R549-Y552 WeakPolarHBondContact O-CB 3.43Å; R549-Y552 PolarHBondContact O-N 2.79Å; Y552-T554 VanDerWaalsContact C-N 3.33Å; Y552-T554 PolarHBondContact O-N 2.5Å; Y552-T555 CarbonylContact O-C 3.59Å; Y552-T555 WeakPolarHBondContact O-CA 3.35Å; Y552-T555 VanDerWaalsContact O-CB 3.3Å; Y552-T555 WeakPolarHBondContact O-CB 3.25Å; Y552-T555 PolarHBondContact O-N 2.86Å; Y552-H556 VanDerWaalsContact O-CG 3.28Å; Y552-H556 PolarHBondContact O-N 3.23Å
553	H	98.8	Very high	98.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-57.8	-47.4	173	-173.1	60.5	0	0	0	111.2	S532 R549 W550 T555 H556 I557 W579 Y582	S532-H553 WeakPolarHBondContact CB-ND1 3.32Å; S532-H553 PolarHBondContact N-ND1 3.26Å; S532-H553 PolarHBondContact OG-ND1 3.19Å; R549-H553 PolarHBondContact O-N 3.39Å; W550-H553 HydrophobicContact CE3-CB 4.17Å; W550-H553 AromaticContact CE3-CD2 3.86Å; W550-H553 AromaticContact CZ3-CD2 3.74Å; W550-H553 PolarHBondContact O-N 3.06Å; H553-T555 VanDerWaalsContact C-N 3.3Å; H553-T555 PolarHBondContact O-N 3.35Å; H553-H556 PolarHBondContact O-N 2.88Å; H553-I557 WeakPolarHBondContact O-CG1 3.08Å; H553-I557 PolarHBondContact O-N 2.77Å; H553-W579 AromaticContact CE1-CD2 3.77Å; H553-W579 AromaticContact CE1-CG 3.61Å; H553-W579 PolarHBondContact NE2-O 3.12Å; H553-Y582 AromaticContact CE1-CD2 3.85Å; H553-Y582 AromaticContact NE2-CD2 3.93Å
554	T	98.6	Very high	98.4	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.025	18%	0.175	C	C	.	.	H	α-helix	trans	-64.9	-31.6	173.5	53.7	0	0	0	0	113.4	S132 V134 W550 D551 Y552 I557 N558 L583	S132-T554 WeakPolarHBondContact CB-OG1 3.46Å; S132-T554 PolarHBondContact OG-OG1 3.44Å; V134-T554 HydrophobicContact CG2-CG2 4.29Å; W550-T554 WeakPolarHBondContact O-CG2 3.29Å; W550-T554 PolarHBondContact O-N 3.14Å; W550-T554 PolarHBondContact O-OG1 3.38Å; D551-T554 WeakPolarHBondContact CA-OG1 3.45Å; D551-T554 PolarHBondContact O-N 3.28Å; D551-T554 PolarHBondContact O-OG1 2.86Å; Y552-T554 VanDerWaalsContact C-N 3.33Å; Y552-T554 PolarHBondContact O-N 2.5Å; T554-I557 PolarHBondContact O-N 3.17Å; T554-N558 WeakPolarHBondContact O-CB 3.08Å; T554-N558 PolarHBondContact O-N 3.05Å; T554-N558 PolarHBondContact O-ND2 3.11Å; T554-N558 PolarHBondContact O-OD1 3.44Å; T554-L583 HydrophobicContact CG2-CD1 4.08Å; T554-L583 HydrophobicContact CG2-CD2 3.8Å
555	T	98.8	Very high	98.3	Very high	14 Å²	14	30.1 Å²	30.1	9%	0.086	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-46.4	172.4	-62.6	0	0	0	0	110.4	N484 Y488 D551 Y552 H553 I557 N558 Q559	N484-T555 HydrophobicContact CB-CG2 4.34Å; Y488-T555 HydrophobicContact CE2-CG2 4.23Å; D551-T555 WeakPolarHBondContact O-CB 3.5Å; D551-T555 PolarHBondContact O-N 2.65Å; D551-T555 PolarHBondContact O-OG1 2.91Å; Y552-T555 CarbonylContact O-C 3.59Å; Y552-T555 WeakPolarHBondContact O-CA 3.35Å; Y552-T555 VanDerWaalsContact O-CB 3.3Å; Y552-T555 WeakPolarHBondContact O-CB 3.25Å; Y552-T555 PolarHBondContact O-N 2.86Å; H553-T555 VanDerWaalsContact C-N 3.3Å; H553-T555 PolarHBondContact O-N 3.35Å; T555-I557 VanDerWaalsContact C-N 3.33Å; T555-I557 PolarHBondContact O-N 2.85Å; T555-N558 PolarHBondContact O-N 3.2Å; T555-Q559 HydrophobicContact CG2-CG 4.38Å; T555-Q559 WeakPolarHBondContact O-CB 3.22Å; T555-Q559 VanDerWaalsContact O-CG 3.27Å; T555-Q559 WeakPolarHBondContact O-CG 3.39Å; T555-Q559 PolarHBondContact O-N 3.37Å
556	H	98.9	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-41.5	176.7	-52.3	156.3	0	0	0	111.4	L483 S532 Y552 H553 N558 Q559 L560 W579	L483-H556 HydrophobicContact CD2-CB 4.36Å; S532-H556 PolarHBondContact OG-ND1 3.01Å; Y552-H556 VanDerWaalsContact O-CG 3.28Å; Y552-H556 PolarHBondContact O-N 3.23Å; H553-H556 PolarHBondContact O-N 2.88Å; H556-N558 PolarHBondContact O-N 2.92Å; H556-Q559 PolarHBondContact O-N 2.97Å; H556-L560 WeakPolarHBondContact O-CB 3.31Å; H556-L560 VanDerWaalsContact O-CG 3.25Å; H556-L560 WeakPolarHBondContact O-CG 3.45Å; H556-L560 PolarHBondContact O-N 2.78Å; H556-W579 HydrophobicContact CB-CE3 4.07Å; H556-W579 HydrophobicContact CB-CH2 4.43Å; H556-W579 HydrophobicContact CB-CZ3 3.46Å; H556-W579 VanDerWaalsContact CB-CZ3 3.46Å
557	I	98.8	Very high	98.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-47.7	174.7	-63.7	167.3	0	0	0	110.9	V134 H553 T554 T555 Q559 L560 Q561 V576 W579 K580 L583	V134-I557 HydrophobicContact CB-CG2 4.43Å; V134-I557 HydrophobicContact CG1-CB 4.47Å; V134-I557 HydrophobicContact CG1-CG2 3.58Å; V134-I557 HydrophobicContact CG2-CB 4.37Å; V134-I557 HydrophobicContact CG2-CD1 4.03Å; V134-I557 HydrophobicContact CG2-CG2 3.89Å; H553-I557 WeakPolarHBondContact O-CG1 3.08Å; H553-I557 PolarHBondContact O-N 2.77Å; T554-I557 PolarHBondContact O-N 3.17Å; T555-I557 VanDerWaalsContact C-N 3.33Å; T555-I557 PolarHBondContact O-N 2.85Å; I557-Q559 VanDerWaalsContact C-N 3.31Å; I557-Q559 PolarHBondContact O-N 3.42Å; I557-L560 PolarHBondContact O-N 3.16Å; I557-Q561 WeakPolarHBondContact O-CB 3.32Å; I557-Q561 PolarHBondContact O-N 2.85Å; I557-V576 HydrophobicContact CG2-CG1 4.23Å; I557-W579 HydrophobicContact CD1-CB 3.93Å; I557-W579 HydrophobicContact CG1-CB 3.68Å; I557-W579 HydrophobicContact CG1-CE3 4.23Å; I557-K580 HydrophobicContact CG2-CG 3.96Å; I557-L583 HydrophobicContact CD1-CD1 3.88Å; I557-L583 HydrophobicContact CD1-CG 4.26Å
558	N	98.7	Very high	98	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.064	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-41.4	179.5	-69	-19	0	0	0	111.6	V134 Y135 M148 T554 T555 H556 Q561 L562	V134-N558 VanDerWaalsContact CG1-OD1 3.25Å; V134-N558 WeakPolarHBondContact CG1-OD1 3.22Å; Y135-N558 WeakPolarHBondContact CB-OD1 3.13Å; Y135-N558 PolarHBondContact N-OD1 3.02Å; M148-N558 HydrophobicContact CE-CB 4.01Å; M148-N558 HydrophobicContact CG-CB 4.13Å; M148-N558 HydrophobicContact SD-CB 3.82Å; T554-N558 WeakPolarHBondContact O-CB 3.08Å; T554-N558 PolarHBondContact O-N 3.05Å; T554-N558 PolarHBondContact O-ND2 3.11Å; T554-N558 PolarHBondContact O-OD1 3.44Å; T555-N558 PolarHBondContact O-N 3.2Å; H556-N558 PolarHBondContact O-N 2.92Å; N558-Q561 PolarHBondContact O-N 3.16Å; N558-L562 WeakPolarHBondContact O-CB 3.37Å; N558-L562 PolarHBondContact O-N 3.3Å
559	Q	98.8	Very high	98	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.4	-48	177.3	-77.4	178.3	-39.6	0	0	112.3	M148 N484 I487 T555 H556 I557 Q561 L562 L563	M148-Q559 HydrophobicContact SD-CG 3.7Å; N484-Q559 PolarHBondContact O-NE2 2.69Å; I487-Q559 HydrophobicContact CB-CB 4.31Å; I487-Q559 HydrophobicContact CB-CG 4.44Å; I487-Q559 HydrophobicContact CD1-CB 4.09Å; I487-Q559 HydrophobicContact CG2-CB 3.69Å; I487-Q559 HydrophobicContact CG2-CG 4.04Å; T555-Q559 HydrophobicContact CG2-CG 4.38Å; T555-Q559 WeakPolarHBondContact O-CB 3.22Å; T555-Q559 VanDerWaalsContact O-CG 3.27Å; T555-Q559 WeakPolarHBondContact O-CG 3.39Å; T555-Q559 PolarHBondContact O-N 3.37Å; H556-Q559 PolarHBondContact O-N 2.97Å; I557-Q559 VanDerWaalsContact C-N 3.31Å; I557-Q559 PolarHBondContact O-N 3.42Å; Q559-Q561 VanDerWaalsContact C-N 3.33Å; Q559-Q561 PolarHBondContact O-N 2.87Å; Q559-L562 WeakPolarHBondContact O-CB 3.45Å; Q559-L562 PolarHBondContact O-N 3.1Å; Q559-L563 WeakPolarHBondContact O-CG 3.48Å; Q559-L563 PolarHBondContact O-N 2.69Å
560	L	98.8	Very high	98	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.2	-34.3	178.2	-63.8	175.2	0	0	0	112.1	I487 L523 H556 I557 L563 A564 F572 V575 V576 W579	I487-L560 HydrophobicContact CD1-CD2 4.05Å; L523-L560 HydrophobicContact CD1-CD1 4.08Å; L523-L560 HydrophobicContact CD1-CD2 4.08Å; L523-L560 HydrophobicContact CD2-CD1 4.08Å; L523-L560 HydrophobicContact CD2-CD2 3.84Å; H556-L560 WeakPolarHBondContact O-CB 3.31Å; H556-L560 VanDerWaalsContact O-CG 3.25Å; H556-L560 WeakPolarHBondContact O-CG 3.45Å; H556-L560 PolarHBondContact O-N 2.78Å; I557-L560 PolarHBondContact O-N 3.16Å; L560-L563 HydrophobicContact CD2-CD1 4.48Å; L560-L563 PolarHBondContact O-N 3.28Å; L560-A564 WeakPolarHBondContact O-CB 3.19Å; L560-A564 PolarHBondContact O-N 3.03Å; L560-F572 HydrophobicContact CD2-CD1 3.92Å; L560-F572 HydrophobicContact CD2-CE1 4.22Å; L560-V575 HydrophobicContact CD1-CB 4.38Å; L560-V575 HydrophobicContact CD1-CG1 3.63Å; L560-V576 HydrophobicContact CB-CG2 3.47Å; L560-V576 VanDerWaalsContact CB-CG2 3.47Å; L560-W579 HydrophobicContact CD1-CE3 3.81Å; L560-W579 HydrophobicContact CD1-CH2 4.22Å; L560-W579 HydrophobicContact CD1-CZ3 3.53Å
561	Q	98	Very high	98	Very high	33 Å²	33	28.9 Å²	28.9	15%	0.154	16%	0.163	C	C	.	.	H	α-helix	trans	-64.5	-41.5	174.2	176.1	170.3	-23.4	0	0	111.1	Q137 I557 N558 Q559 A564 V576	Q137-Q561 VanDerWaalsContact CB-NE2 3.3Å; Q137-Q561 PolarHBondContact OE1-O 2.8Å; I557-Q561 WeakPolarHBondContact O-CB 3.32Å; I557-Q561 PolarHBondContact O-N 2.85Å; N558-Q561 PolarHBondContact O-N 3.16Å; Q559-Q561 VanDerWaalsContact C-N 3.33Å; Q559-Q561 PolarHBondContact O-N 2.87Å; Q561-A564 PolarHBondContact O-N 3.05Å; Q561-V576 HydrophobicContact CB-CG1 4.37Å; Q561-V576 HydrophobicContact CB-CG2 4.27Å
562	L	98.4	Very high	98	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-50.3	172	-173	166.6	0	0	0	110.7	Y141 M148 L491 N558 Q559 A564 S565	Y141-L562 HydrophobicContact CD1-CD2 3.71Å; Y141-L562 HydrophobicContact CD1-CG 4.41Å; Y141-L562 HydrophobicContact CD2-CD1 3.68Å; Y141-L562 HydrophobicContact CD2-CD2 4.1Å; Y141-L562 HydrophobicContact CD2-CG 3.92Å; Y141-L562 HydrophobicContact CE1-CD2 4.38Å; Y141-L562 HydrophobicContact CE2-CD1 4.06Å; Y141-L562 HydrophobicContact CG-CD1 4.01Å; Y141-L562 HydrophobicContact CG-CD2 3.54Å; Y141-L562 HydrophobicContact CG-CG 3.76Å; M148-L562 HydrophobicContact CB-CD1 3.67Å; M148-L562 HydrophobicContact CG-CD1 3.88Å; L491-L562 HydrophobicContact CD1-CD1 3.92Å; L491-L562 HydrophobicContact CD1-CD2 4.43Å; L491-L562 HydrophobicContact CD2-CD1 4.45Å; L491-L562 HydrophobicContact CD2-CD2 3.47Å; L491-L562 VanDerWaalsContact CD2-CD2 3.47Å; N558-L562 WeakPolarHBondContact O-CB 3.37Å; N558-L562 PolarHBondContact O-N 3.3Å; Q559-L562 WeakPolarHBondContact O-CB 3.45Å; Q559-L562 PolarHBondContact O-N 3.1Å; L562-A564 VanDerWaalsContact C-N 3.27Å; L562-A564 PolarHBondContact O-N 2.91Å; L562-S565 WeakPolarHBondContact O-CB 3.43Å; L562-S565 PolarHBondContact O-N 2.94Å; L562-S565 PolarHBondContact O-OG 2.73Å
563	L	98.3	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.1	-37	178.9	-70.6	-178.9	0	0	0	112.7	I487 L491 M516 L519 Q559 L560 S565 I566 D567 F572	I487-L563 HydrophobicContact CG2-CD1 3.68Å; I487-L563 HydrophobicContact CG2-CG 4.16Å; L491-L563 HydrophobicContact CD2-CD2 3.63Å; L491-L563 HydrophobicContact CD2-CG 4.45Å; M516-L563 HydrophobicContact CE-CD2 4.37Å; M516-L563 HydrophobicContact SD-CD1 4.2Å; M516-L563 HydrophobicContact SD-CD2 4.05Å; L519-L563 HydrophobicContact CD2-CD1 3.32Å; Q559-L563 WeakPolarHBondContact O-CG 3.48Å; Q559-L563 PolarHBondContact O-N 2.69Å; L560-L563 HydrophobicContact CD2-CD1 4.48Å; L560-L563 PolarHBondContact O-N 3.28Å; L563-S565 PolarHBondContact O-N 2.99Å; L563-S565 VanDerWaalsContact O-N 3.14Å; L563-I566 HydrophobicContact CD2-CD1 3.68Å; L563-I566 HydrophobicContact CD2-CG1 4.31Å; L563-I566 WeakPolarHBondContact O-CG1 3.41Å; L563-I566 PolarHBondContact O-N 3.46Å; L563-I566 VanDerWaalsContact O-N 3.08Å; L563-D567 PolarHBondContact O-N 3.42Å; L563-F572 HydrophobicContact CD1-CE1 4.29Å; L563-F572 HydrophobicContact CD1-CZ 4.47Å
564	A	97.8	Very high	98	Very high	21 Å²	21	37.1 Å²	37.1	17%	0.174	20%	0.197	C	C	.	.	H	α-helix	trans	-63.6	-15.8	175.4	0	0	0	0	0	113.8	L560 Q561 L562 D567 F572 R573	L560-A564 WeakPolarHBondContact O-CB 3.19Å; L560-A564 PolarHBondContact O-N 3.03Å; Q561-A564 PolarHBondContact O-N 3.05Å; L562-A564 VanDerWaalsContact C-N 3.27Å; L562-A564 PolarHBondContact O-N 2.91Å; A564-D567 WeakPolarHBondContact CA-O 3.34Å; A564-F572 HydrophobicContact CB-CB 3.82Å; A564-R573 HydrophobicContact CB-CG 4.18Å
565	S	96.9	Very high	98	Very high	37 Å²	37	37.1 Å²	37.1	26%	0.259	20%	0.197	S	C	.	.	H	α-helix	trans	-90.1	-15.1	175.2	74.1	0	0	0	0	114.1	Q137 Y141 L562 L563	Q137-S565 PolarHBondContact NE2-OG 2.77Å; Q137-S565 VanDerWaalsContact NE2-OG 3.17Å; Y141-S565 PolarHBondContact N-OG 3.01Å; Y141-S565 VanDerWaalsContact N-OG 3.09Å; L562-S565 WeakPolarHBondContact O-CB 3.43Å; L562-S565 PolarHBondContact O-N 2.94Å; L562-S565 PolarHBondContact O-OG 2.73Å; L563-S565 PolarHBondContact O-N 2.99Å; L563-S565 VanDerWaalsContact O-N 3.14Å
566	I	96.5	Very high	97.9	Very high	42 Å²	42	37 Å²	37	22%	0.215	20%	0.197	C	C	.	.	H	α-helix	trans	-107.5	-21.6	175.7	64.3	173.7	0	0	0	112.5	Y141 Y494 F512 L563	Y141-I566 HydrophobicContact CD1-CG2 4.12Å; Y494-I566 HydrophobicContact CD1-CD1 4.44Å; Y494-I566 HydrophobicContact CD2-CD1 4.04Å; Y494-I566 HydrophobicContact CE1-CG2 4.12Å; Y494-I566 HydrophobicContact CE2-CB 4.28Å; Y494-I566 HydrophobicContact CE2-CD1 4.26Å; Y494-I566 HydrophobicContact CE2-CG2 4.36Å; Y494-I566 HydrophobicContact CG-CD1 4.14Å; F512-I566 HydrophobicContact CE2-CD1 4.29Å; F512-I566 HydrophobicContact CZ-CD1 3.86Å; L563-I566 HydrophobicContact CD2-CD1 3.68Å; L563-I566 HydrophobicContact CD2-CG1 4.31Å; L563-I566 WeakPolarHBondContact O-CG1 3.41Å; L563-I566 PolarHBondContact O-N 3.46Å; L563-I566 VanDerWaalsContact O-N 3.08Å
567	D	96.5	Very high	97.9	Very high	39 Å²	39	44 Å²	44	21%	0.209	23%	0.227	C	C	.	.			trans	-134.5	122.5	-179.8	-173	-43.9	0	0	0	110.2	M516 K520 L563 A564 A569 F572	M516-D567 HydrophobicContact CE-CB 3.77Å; M516-D567 WeakPolarHBondContact CE-OD2 3.44Å; K520-D567 VanDerWaalsContact CE-OD2 3.25Å; K520-D567 WeakPolarHBondContact CE-OD2 3.44Å; K520-D567 IonicContact NZ-OD1 2.82Å; K520-D567 PolarHBondContact NZ-OD1 3.1Å; K520-D567 IonicContact NZ-OD2 2.7Å; K520-D567 PolarHBondContact NZ-OD2 2.89Å; L563-D567 PolarHBondContact O-N 3.42Å; A564-D567 WeakPolarHBondContact CA-O 3.34Å; D567-A569 PolarHBondContact O-N 2.91Å; D567-A569 WeakPolarHBondContact OD1-CB 3.39Å; D567-A569 PolarHBondContact OD1-N 2.81Å; D567-F572 HydrophobicContact CB-CD2 4.41Å; D567-F572 HydrophobicContact CB-CE2 4Å
568	N	95.6	Very high	97.9	Very high	150 Å²	150	48 Å²	48	80%	0.802	24%	0.242	S	C	*	.			trans	-80.6	9.2	-174.7	-73.8	-40.5	0	0	0	114.5
569	A	97.7	Very high	97.9	Very high	18 Å²	18	47.4 Å²	47.4	15%	0.149	24%	0.239	C	C	.	.			trans	-58.1	125.6	178.6	0	0	0	0	0	111.8	K520 D567 I571 F572	K520-A569 HydrophobicContact CD-CB 4.24Å; D567-A569 PolarHBondContact O-N 2.91Å; D567-A569 WeakPolarHBondContact OD1-CB 3.39Å; D567-A569 PolarHBondContact OD1-N 2.81Å; A569-I571 HydrophobicContact CB-CG2 4.08Å; A569-I571 PolarHBondContact O-N 3.08Å; A569-I571 VanDerWaalsContact O-N 3.09Å; A569-F572 HydrophobicContact CB-CD2 4.09Å; A569-F572 HydrophobicContact CB-CE2 4.12Å; A569-F572 PolarHBondContact O-N 2.96Å
570	P	97.9	Very high	97.9	Very high	91 Å²	91	50.8 Å²	50.8	59%	0.591	25%	0.254	S	S	*	.	H	α-helix	trans	-56.2	-32.6	-175.7	-28.5	35	0	0	0	114.4	F572 R573 D574	P570-F572 PolarHBondContact O-N 2.79Å; P570-F572 VanDerWaalsContact O-N 3.13Å; P570-R573 PolarHBondContact O-N 2.87Å; P570-D574 PolarHBondContact O-N 3.23Å
571	I	98.4	Very high	97.9	Very high	44 Å²	44	53.6 Å²	53.6	23%	0.226	27%	0.269	C	S	.	.	H	α-helix	trans	-52	-38.8	-178.6	-169.8	174.3	0	0	0	112.9	K520 L523 A569 V575	K520-I571 HydrophobicContact CB-CG2 4.37Å; K520-I571 HydrophobicContact CG-CG2 3.97Å; K520-I571 WeakPolarHBondContact O-CD1 3.22Å; L523-I571 HydrophobicContact CB-CD1 4.4Å; L523-I571 HydrophobicContact CD2-CD1 4.48Å; L523-I571 HydrophobicContact CD2-CG1 4.35Å; A569-I571 HydrophobicContact CB-CG2 4.08Å; A569-I571 PolarHBondContact O-N 3.08Å; A569-I571 VanDerWaalsContact O-N 3.09Å; I571-V575 HydrophobicContact CG1-CG2 4.08Å; I571-V575 VanDerWaalsContact O-CB 3.31Å; I571-V575 WeakPolarHBondContact O-CB 3.3Å; I571-V575 WeakPolarHBondContact O-CG2 3.2Å; I571-V575 PolarHBondContact O-N 3.1Å
572	F	98.3	Very high	97.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.4	-45.8	179.8	-61.2	-50.1	0	0	0	111.5	M516 L519 K520 L523 L560 L563 A564 D567 A569 P570 D574 V576	M516-F572 HydrophobicContact CE-CE2 3.47Å; M516-F572 VanDerWaalsContact CE-CE2 3.47Å; M516-F572 HydrophobicContact CE-CZ 3.42Å; M516-F572 VanDerWaalsContact CE-CZ 3.42Å; M516-F572 HydrophobicContact SD-CZ 4.34Å; L519-F572 HydrophobicContact CD2-CE1 3.84Å; L519-F572 HydrophobicContact CD2-CZ 4.22Å; L519-F572 HydrophobicContact CG-CE1 4.19Å; K520-F572 HydrophobicContact CD-CZ 4.42Å; K520-F572 HydrophobicContact CG-CE1 4.3Å; K520-F572 HydrophobicContact CG-CE2 4.28Å; K520-F572 HydrophobicContact CG-CZ 3.73Å; L523-F572 HydrophobicContact CD2-CD1 4.3Å; L560-F572 HydrophobicContact CD2-CD1 3.92Å; L560-F572 HydrophobicContact CD2-CE1 4.22Å; L563-F572 HydrophobicContact CD1-CE1 4.29Å; L563-F572 HydrophobicContact CD1-CZ 4.47Å; A564-F572 HydrophobicContact CB-CB 3.82Å; D567-F572 HydrophobicContact CB-CD2 4.41Å; D567-F572 HydrophobicContact CB-CE2 4Å; A569-F572 HydrophobicContact CB-CD2 4.09Å; A569-F572 HydrophobicContact CB-CE2 4.12Å; A569-F572 PolarHBondContact O-N 2.96Å; P570-F572 PolarHBondContact O-N 2.79Å; P570-F572 VanDerWaalsContact O-N 3.13Å; F572-D574 PolarHBondContact O-N 2.99Å; F572-V576 VanDerWaalsContact O-CB 3.27Å; F572-V576 WeakPolarHBondContact O-CB 3.46Å; F572-V576 WeakPolarHBondContact O-CG2 3.42Å; F572-V576 PolarHBondContact O-N 3.29Å
573	R	97.4	Very high	97.9	Very high	179 Å²	179	53 Å²	53	68%	0.675	27%	0.266	S	S	*	.	H	α-helix	trans	-65.3	-40.9	178.9	-67.3	178.7	61.8	-168.4	-1.4	111.8	A564 P570 K577	A564-R573 HydrophobicContact CB-CG 4.18Å; P570-R573 PolarHBondContact O-N 2.87Å; R573-K577 WeakPolarHBondContact O-CB 3.5Å; R573-K577 PolarHBondContact O-N 3.03Å
574	D	98.3	Very high	97.9	Very high	91 Å²	91	61 Å²	61	49%	0.487	30%	0.301	S	S	.	.	H	α-helix	trans	-68	-44.4	-179.1	-67.4	-22.3	0	0	0	111.8	P570 F572 R578	P570-D574 PolarHBondContact O-N 3.23Å; F572-D574 PolarHBondContact O-N 2.99Å; D574-R578 WeakPolarHBondContact O-CB 3.24Å; D574-R578 PolarHBondContact O-N 2.78Å
575	V	98.6	Very high	97.9	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.024	31%	0.308	C	S	.	.	H	α-helix	trans	-66.5	-45.8	176.2	175.2	0	0	0	0	110.6	L523 L560 I571 K577 R578 W579	L523-V575 HydrophobicContact CD2-CB 4.09Å; L523-V575 HydrophobicContact CD2-CG1 4.05Å; L523-V575 HydrophobicContact CD2-CG2 3.78Å; L523-V575 HydrophobicContact CG-CG1 4.28Å; L523-V575 HydrophobicContact CG-CG2 4.22Å; L560-V575 HydrophobicContact CD1-CB 4.38Å; L560-V575 HydrophobicContact CD1-CG1 3.63Å; I571-V575 HydrophobicContact CG1-CG2 4.08Å; I571-V575 VanDerWaalsContact O-CB 3.31Å; I571-V575 WeakPolarHBondContact O-CB 3.3Å; I571-V575 WeakPolarHBondContact O-CG2 3.2Å; I571-V575 PolarHBondContact O-N 3.1Å; V575-K577 VanDerWaalsContact C-N 3.33Å; V575-K577 PolarHBondContact O-N 2.81Å; V575-R578 PolarHBondContact O-N 3.36Å; V575-W579 HydrophobicContact CG1-CD2 3.6Å; V575-W579 VanDerWaalsContact CG1-CE2 3.49Å; V575-W579 HydrophobicContact CG1-CE3 4.02Å; V575-W579 HydrophobicContact CG1-CG 3.98Å; V575-W579 HydrophobicContact CG1-CH2 4.26Å; V575-W579 HydrophobicContact CG1-CZ2 3.88Å; V575-W579 HydrophobicContact CG1-CZ3 4.29Å; V575-W579 WeakPolarHBondContact O-CB 3.22Å; V575-W579 PolarHBondContact O-N 3.07Å
576	V	98.6	Very high	98	Very high	13 Å²	13	63.9 Å²	63.9	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-57.5	-45.7	176.8	165.4	0	0	0	0	111.3	I557 L560 Q561 F572 R578 K580	I557-V576 HydrophobicContact CG2-CG1 4.23Å; L560-V576 HydrophobicContact CB-CG2 3.47Å; L560-V576 VanDerWaalsContact CB-CG2 3.47Å; Q561-V576 HydrophobicContact CB-CG1 4.37Å; Q561-V576 HydrophobicContact CB-CG2 4.27Å; F572-V576 VanDerWaalsContact O-CB 3.27Å; F572-V576 WeakPolarHBondContact O-CB 3.46Å; F572-V576 WeakPolarHBondContact O-CG2 3.42Å; F572-V576 PolarHBondContact O-N 3.29Å; V576-R578 VanDerWaalsContact C-N 3.35Å; V576-R578 PolarHBondContact O-N 3.02Å; V576-K580 HydrophobicContact CG1-CD 4.06Å; V576-K580 WeakPolarHBondContact O-CB 3.32Å; V576-K580 VanDerWaalsContact O-CG 3.3Å; V576-K580 WeakPolarHBondContact O-CG 3.2Å; V576-K580 PolarHBondContact O-N 3.37Å
577	K	98.4	Very high	98.1	Very high	146 Å²	146	69.6 Å²	69.6	64%	0.635	34%	0.336	S	S	*	.	H	α-helix	trans	-59.9	-46.6	177.5	-178.9	-179.9	178.4	-177.8	0	111	R573 V575 N581	R573-K577 WeakPolarHBondContact O-CB 3.5Å; R573-K577 PolarHBondContact O-N 3.03Å; V575-K577 VanDerWaalsContact C-N 3.33Å; V575-K577 PolarHBondContact O-N 2.81Å; K577-N581 PolarHBondContact O-N 2.89Å
578	R	98.6	Very high	98.2	Very high	83 Å²	83	70.1 Å²	70.1	31%	0.313	35%	0.345	S	S	.	.	H	α-helix	trans	-66.8	-46.2	-179.4	-175.9	170.9	61.9	-102	3.4	112.1	D527 D574 V575 V576 K580 N581 Y582	D527-R578 IonicContact OD2-CZ 2.74Å; D527-R578 IonicContact OD2-NE 2.66Å; D527-R578 PolarHBondContact OD2-NE 3.11Å; D527-R578 IonicContact OD2-NH2 3.47Å; D527-R578 PolarHBondContact OD2-NH2 3.48Å; D574-R578 WeakPolarHBondContact O-CB 3.24Å; D574-R578 PolarHBondContact O-N 2.78Å; V575-R578 PolarHBondContact O-N 3.36Å; V576-R578 VanDerWaalsContact C-N 3.35Å; V576-R578 PolarHBondContact O-N 3.02Å; R578-K580 VanDerWaalsContact C-N 3.35Å; R578-K580 PolarHBondContact O-N 3.03Å; R578-N581 VanDerWaalsContact O-CB 3.27Å; R578-N581 WeakPolarHBondContact O-CB 3.5Å; R578-N581 PolarHBondContact O-N 3.41Å; R578-Y582 VanDerWaalsContact CD-OH 3.22Å; R578-Y582 WeakPolarHBondContact CD-OH 3.48Å; R578-Y582 HydrophobicContact CG-CE1 3.6Å; R578-Y582 HydrophobicContact CG-CE2 4.46Å; R578-Y582 VanDerWaalsContact CG-OH 3.32Å; R578-Y582 WeakPolarHBondContact CG-OH 3.42Å; R578-Y582 PolarHBondContact NE-OH 3.14Å; R578-Y582 VanDerWaalsContact O-CD1 3.28Å; R578-Y582 WeakPolarHBondContact O-CD1 3.35Å; R578-Y582 PolarHBondContact O-N 3.46Å
579	W	98.8	Very high	98.2	Very high	0 Å²	0	73 Å²	73	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-67.3	-33.4	179.7	-72.6	10.4	0	0	0	112.6	L483 L523 F526 D527 H553 H556 I557 L560 V575 N581 Y582	L483-W579 HydrophobicContact CD2-CH2 3.94Å; L483-W579 HydrophobicContact CD2-CZ3 4.38Å; L523-W579 HydrophobicContact CD1-CH2 3.92Å; L523-W579 HydrophobicContact CD1-CZ2 4.47Å; F526-W579 HydrophobicContact CB-CH2 4.4Å; D527-W579 HydrophobicContact CB-CZ2 4.27Å; D527-W579 VanDerWaalsContact CG-NE1 3.27Å; D527-W579 PolarHBondContact OD2-NE1 2.83Å; H553-W579 AromaticContact CE1-CD2 3.77Å; H553-W579 AromaticContact CE1-CG 3.61Å; H553-W579 PolarHBondContact NE2-O 3.12Å; H556-W579 HydrophobicContact CB-CE3 4.07Å; H556-W579 HydrophobicContact CB-CH2 4.43Å; H556-W579 HydrophobicContact CB-CZ3 3.46Å; H556-W579 VanDerWaalsContact CB-CZ3 3.46Å; I557-W579 HydrophobicContact CD1-CB 3.93Å; I557-W579 HydrophobicContact CG1-CB 3.68Å; I557-W579 HydrophobicContact CG1-CE3 4.23Å; L560-W579 HydrophobicContact CD1-CE3 3.81Å; L560-W579 HydrophobicContact CD1-CH2 4.22Å; L560-W579 HydrophobicContact CD1-CZ3 3.53Å; V575-W579 HydrophobicContact CG1-CD2 3.6Å; V575-W579 VanDerWaalsContact CG1-CE2 3.49Å; V575-W579 HydrophobicContact CG1-CE3 4.02Å; V575-W579 HydrophobicContact CG1-CG 3.98Å; V575-W579 HydrophobicContact CG1-CH2 4.26Å; V575-W579 HydrophobicContact CG1-CZ2 3.88Å; V575-W579 HydrophobicContact CG1-CZ3 4.29Å; V575-W579 WeakPolarHBondContact O-CB 3.22Å; V575-W579 PolarHBondContact O-N 3.07Å; W579-N581 PolarHBondContact O-N 2.72Å; W579-Y582 HydrophobicContact CB-CD2 4.39Å; W579-Y582 AromaticContact CD1-CD2 3.72Å; W579-Y582 AromaticContact CD1-CE2 3.26Å; W579-Y582 HydrophobicContact CG-CD2 4.21Å; W579-Y582 HydrophobicContact CG-CE2 4.17Å; W579-Y582 AromaticContact NE1-CE2 3.72Å; W579-Y582 WeakPolarHBondContact O-CB 3.47Å; W579-Y582 PolarHBondContact O-N 3.39Å; W579-Y582 VanDerWaalsContact O-N 3.14Å
580	K	98.6	Very high	98.1	Very high	72 Å²	72	80.3 Å²	80.3	31%	0.313	38%	0.381	S	S	.	.	H	α-helix	trans	-59	-33.8	168.8	-81.2	177.2	174.1	175.1	0	113	V134 I557 V576 R578 Y582	V134-K580 HydrophobicContact CG2-CG 4.25Å; I557-K580 HydrophobicContact CG2-CG 3.96Å; V576-K580 HydrophobicContact CG1-CD 4.06Å; V576-K580 WeakPolarHBondContact O-CB 3.32Å; V576-K580 VanDerWaalsContact O-CG 3.3Å; V576-K580 WeakPolarHBondContact O-CG 3.2Å; V576-K580 PolarHBondContact O-N 3.37Å; R578-K580 VanDerWaalsContact C-N 3.35Å; R578-K580 PolarHBondContact O-N 3.03Å; K580-Y582 VanDerWaalsContact C-N 3.34Å
581	N	98.6	Very high	97.8	Very high	59 Å²	59	86.3 Å²	86.3	32%	0.316	41%	0.408	S	S	.	.	H	α-helix	trans	-70.9	-31.9	178	-69	-16	0	0	0	111.8	K577 R578 W579 L583 K584 I586	K577-N581 PolarHBondContact O-N 2.89Å; R578-N581 VanDerWaalsContact O-CB 3.27Å; R578-N581 WeakPolarHBondContact O-CB 3.5Å; R578-N581 PolarHBondContact O-N 3.41Å; W579-N581 PolarHBondContact O-N 2.72Å; N581-L583 VanDerWaalsContact C-N 3.26Å; N581-L583 PolarHBondContact O-N 2.89Å; N581-K584 CarbonylContact O-C 3.5Å; N581-K584 WeakPolarHBondContact O-CA 3.21Å; N581-K584 PolarHBondContact O-N 3.15Å; N581-I586 HydrophobicContact CB-CB 3.83Å; N581-I586 HydrophobicContact CB-CD1 3.87Å; N581-I586 HydrophobicContact CB-CG1 4.4Å; N581-I586 HydrophobicContact CB-CG2 3.98Å; N581-I586 WeakPolarHBondContact O-CB 3.47Å; N581-I586 PolarHBondContact O-N 3.06Å
582	Y	98.7	Very high	97.8	Very high	3 Å²	3	88.5 Å²	88.5	1%	0.012	42%	0.417	C	S	.	.	H	α-helix	trans	-61.7	-34	178	-58.9	-12.8	0	0	0	112.2	H129 D527 G529 G531 H553 R578 W579 K580 K584 G585 I586	H129-Y582 PolarHBondContact CD2-O 2.64Å; H129-Y582 VanDerWaalsContact CD2-O 3.27Å; D527-Y582 WeakPolarHBondContact OD1-CE2 3.49Å; D527-Y582 PolarHBondContact OD1-OH 3.05Å; D527-Y582 PolarHBondContact OD2-OH 2.97Å; G529-Y582 VanDerWaalsContact C-CZ 3.46Å; G529-Y582 VanDerWaalsContact CA-OH 3.32Å; G529-Y582 WeakPolarHBondContact CA-OH 3.48Å; G529-Y582 WeakPolarHBondContact O-CE1 3.5Å; G531-Y582 WeakPolarHBondContact O-CE2 3.34Å; H553-Y582 AromaticContact CE1-CD2 3.85Å; H553-Y582 AromaticContact NE2-CD2 3.93Å; R578-Y582 VanDerWaalsContact CD-OH 3.22Å; R578-Y582 WeakPolarHBondContact CD-OH 3.48Å; R578-Y582 HydrophobicContact CG-CE1 3.6Å; R578-Y582 HydrophobicContact CG-CE2 4.46Å; R578-Y582 VanDerWaalsContact CG-OH 3.32Å; R578-Y582 WeakPolarHBondContact CG-OH 3.42Å; R578-Y582 PolarHBondContact NE-OH 3.14Å; R578-Y582 VanDerWaalsContact O-CD1 3.28Å; R578-Y582 WeakPolarHBondContact O-CD1 3.35Å; R578-Y582 PolarHBondContact O-N 3.46Å; W579-Y582 HydrophobicContact CB-CD2 4.39Å; W579-Y582 AromaticContact CD1-CD2 3.72Å; W579-Y582 AromaticContact CD1-CE2 3.26Å; W579-Y582 HydrophobicContact CG-CD2 4.21Å; W579-Y582 HydrophobicContact CG-CE2 4.17Å; W579-Y582 AromaticContact NE1-CE2 3.72Å; W579-Y582 WeakPolarHBondContact O-CB 3.47Å; W579-Y582 PolarHBondContact O-N 3.39Å; W579-Y582 VanDerWaalsContact O-N 3.14Å; K580-Y582 VanDerWaalsContact C-N 3.34Å; Y582-K584 PolarHBondContact O-N 3.24Å; Y582-G585 PolarHBondContact O-N 3.31Å; Y582-I586 WeakPolarHBondContact CD1-O 3.28Å
583	L	98.4	Very high	97.8	Very high	22 Å²	22	93.1 Å²	93.1	12%	0.115	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.8	173.9	-62.9	172.9	0	0	0	113.9	S130 V134 W550 T554 I557 N581	S130-L583 WeakPolarHBondContact OG-CA 3.27Å; S130-L583 WeakPolarHBondContact OG-CD2 3.11Å; S130-L583 PolarHBondContact OG-O 3.21Å; V134-L583 HydrophobicContact CG2-CD1 3.39Å; W550-L583 HydrophobicContact CE3-CD2 3.79Å; W550-L583 HydrophobicContact CZ3-CD2 4.09Å; T554-L583 HydrophobicContact CG2-CD1 4.08Å; T554-L583 HydrophobicContact CG2-CD2 3.8Å; I557-L583 HydrophobicContact CD1-CD1 3.88Å; I557-L583 HydrophobicContact CD1-CG 4.26Å; N581-L583 VanDerWaalsContact C-N 3.26Å; N581-L583 PolarHBondContact O-N 2.89Å
584	K	98.1	Very high	97.8	Very high	168 Å²	168	88.3 Å²	88.3	73%	0.73	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	16.4	178.6	-58.7	-175.9	179.5	-177.2	0	112.6	N581 Y582 I586	N581-K584 CarbonylContact O-C 3.5Å; N581-K584 WeakPolarHBondContact O-CA 3.21Å; N581-K584 PolarHBondContact O-N 3.15Å; Y582-K584 PolarHBondContact O-N 3.24Å; K584-I586 VanDerWaalsContact C-N 3.25Å; K584-I586 PolarHBondContact O-N 2.89Å
585	G	97.5	Very high	97.8	Very high	30 Å²	30	88.2 Å²	88.2	31%	0.309	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	6.5	177.1	0	0	0	0	0	115.4	H129 Y582	H129-G585 PolarHBondContact CD2-N 3.15Å; Y582-G585 PolarHBondContact O-N 3.31Å
586	I	98.4	Very high	97.7	Very high	87 Å²	87	93.4 Å²	93.4	45%	0.446	45%	0.448	S	S	.	.			trans	-73.9	137.7	173.4	-60.8	167.8	0	0	0	108.1	N581 Y582 K584	N581-I586 HydrophobicContact CB-CB 3.83Å; N581-I586 HydrophobicContact CB-CD1 3.87Å; N581-I586 HydrophobicContact CB-CG1 4.4Å; N581-I586 HydrophobicContact CB-CG2 3.98Å; N581-I586 WeakPolarHBondContact O-CB 3.47Å; N581-I586 PolarHBondContact O-N 3.06Å; Y582-I586 WeakPolarHBondContact CD1-O 3.28Å; K584-I586 VanDerWaalsContact C-N 3.25Å; K584-I586 PolarHBondContact O-N 2.89Å
587	R	98.5	Very high	97.7	Very high	163 Å²	163	98.8 Å²	98.8	62%	0.615	47%	0.472	S	S	*	.			trans	-115.9	158.9	-177.1	-54.3	176.3	68.9	81.9	2.1	110.7	G529 S530	G529-R587 CarbonylContact O-C 3.53Å; G529-R587 WeakPolarHBondContact O-CA 3.48Å; S530-R587 VanDerWaalsContact CB-CZ 3.48Å; S530-R587 PolarHBondContact OG-NH1 3.36Å; S530-R587 PolarHBondContact OG-NH2 3.27Å
588	A	98	Very high	97.6	Very high	49 Å²	49	95.4 Å²	95.4	41%	0.405	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-59.6	148.1	162.9	0	0	0	0	0	109.6	G529	G529-A588 PolarHBondContact O-N 3.12Å
589	K	97.4	Very high	97.5	Very high	212 Å²	212	96.4 Å²	96.4	92%	0.922	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-63.6	136.8	177.9	-65.5	-175.5	177.6	-175.2	0	109.8
590	H	95.6	Very high	97.4	Very high	171 Å²	171	104.4 Å²	104.4	79%	0.792	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-86.6	161.7	161.4	64.3	80.1	0	0	0	109.4
591	N	91.6	Very high	97.3	Very high	217 Å²	217	107.4 Å²	107.4	100%	1.16	53%	0.529	S	S	*	.			trans	-77.2	0	176.3	57.8	-30.6	0	0	0	112.8

Retrieved 591 of 591 residues in 1309 ms (Link to these results)

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