A0A087YH19_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087YH19, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 654 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	36.1	Very low	50	Low	237 Å²	237	186.2 Å²	186.2	100%	1.167	89%	0.891	S	S	*	*				0	141.8	0	-56.3	176.7	-152.7	0	0	108.2
2	F	39.3	Very low	50.7	Low	209 Å²	209	183.5 Å²	183.5	92%	0.917	88%	0.883	S	S	*	*			trans	-127.5	108.3	176.2	-72.2	-73.8	0	0	0	111	K4	F2-K4 PolarHBondContact O-N 2.91Å
3	A	43.8	Very low	51.9	Low	103 Å²	103	177.5 Å²	177.5	85%	0.851	87%	0.871	S	S	*	*			trans	-81.2	115.2	178.2	0	0	0	0	0	110.8	K5	A3-K5 PolarHBondContact O-N 3.4Å
4	K	43	Very low	52.3	Low	206 Å²	206	170.9 Å²	170.9	90%	0.896	86%	0.86	S	S	*	*			trans	-71.2	109.8	176.7	-67.4	178.9	179.1	176.6	0	110.1	F2 K6	F2-K4 PolarHBondContact O-N 2.91Å; K4-K6 PolarHBondContact O-N 2.96Å
5	K	51.3	Low	53.3	Low	206 Å²	206	165.9 Å²	165.9	90%	0.896	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-59.5	126.2	169.4	-73	-174.7	176.7	-179.5	0	109.5	A3 K7	A3-K5 PolarHBondContact O-N 3.4Å; K5-K7 PolarHBondContact O-N 2.95Å
6	K	51.6	Low	54.3	Low	209 Å²	209	161.8 Å²	161.8	91%	0.909	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-64.7	127.4	171.9	-72.1	177.8	176.3	176.9	0	109.1	K4	K4-K6 PolarHBondContact O-N 2.96Å
7	K	54.1	Low	54.7	Low	205 Å²	205	161.5 Å²	161.5	89%	0.891	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-68.2	138.3	165.6	-71.5	-174.9	175.4	-176.6	0	108.6	K5	K5-K7 PolarHBondContact O-N 2.95Å
8	S	60.4	Low	55.2	Low	117 Å²	117	162.4 Å²	162.4	82%	0.818	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-66.2	145.2	171.9	44.1	0	0	0	0	110.6
9	R	55.6	Low	55.7	Low	230 Å²	230	160.9 Å²	160.9	87%	0.868	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-78.4	125.8	174.7	169.2	174.7	158.6	164.1	-7.1	108.7	Q11	R9-Q11 PolarHBondContact O-N 3.05Å
10	I	57.3	Low	55.8	Low	143 Å²	143	160.2 Å²	160.2	73%	0.733	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-60.6	124.6	172.3	-58.7	174.6	0	0	0	108.3	I12	I10-I12 HydrophobicContact CG2-CG1 4.17Å
11	Q	57.7	Low	56	Low	183 Å²	183	162.2 Å²	162.2	86%	0.855	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-92.8	126.2	164.8	-72	-178.3	-19.2	0	0	107.8	R9	R9-Q11 PolarHBondContact O-N 3.05Å
12	I	58.5	Low	57.5	Low	154 Å²	154	154.7 Å²	154.7	79%	0.79	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-102.8	127.3	170.9	-54.4	176.3	0	0	0	105.4	I10	I10-I12 HydrophobicContact CG2-CG1 4.17Å
13	S	65.7	Low	59.1	Low	105 Å²	105	150.6 Å²	150.6	73%	0.734	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-68.3	157.3	176	55.6	0	0	0	0	111.2
14	A	57.1	Low	60.9	Low	86 Å²	86	148.7 Å²	148.7	71%	0.711	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-59.1	145.9	164.4	0	0	0	0	0	110.1	S16	A14-S16 PolarHBondContact O-N 2.99Å
15	P	67.4	Low	62.4	Low	95 Å²	95	143.3 Å²	143.3	62%	0.617	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-66	131.3	175	27.2	-34.3	0	0	0	111	F18	P15-F18 HydrophobicContact CB-CE2 4.39Å; P15-F18 HydrophobicContact CB-CZ 4.23Å; P15-F18 HydrophobicContact CG-CE2 4.02Å; P15-F18 HydrophobicContact CG-CZ 3.65Å; P15-F18 WeakPolarHBondContact O-CE2 3.25Å
16	S	69.5	Low	63.7	Low	100 Å²	100	136.8 Å²	136.8	70%	0.699	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-103.9	169.1	166.4	53.3	0	0	0	0	110.4	A14	A14-S16 PolarHBondContact O-N 2.99Å
17	N	61.8	Low	65	Low	157 Å²	157	129.1 Å²	129.1	84%	0.84	66%	0.662	S	S	*	*			trans	59.6	58.7	-179.9	-58.4	0.7	0	0	0	114.2	E19	N17-E19 PolarHBondContact O-N 3.24Å
18	F	63	Low	65.7	Low	179 Å²	179	126.8 Å²	126.8	79%	0.785	65%	0.654	S	S	*	*			trans	-69	116.2	165.3	-74	-85.1	0	0	0	110.6	P15	P15-F18 HydrophobicContact CB-CE2 4.39Å; P15-F18 HydrophobicContact CB-CZ 4.23Å; P15-F18 HydrophobicContact CG-CE2 4.02Å; P15-F18 HydrophobicContact CG-CZ 3.65Å; P15-F18 WeakPolarHBondContact O-CE2 3.25Å
19	E	65.3	Low	66.4	Low	133 Å²	133	130.1 Å²	130.1	62%	0.621	66%	0.657	S	S	*	*			trans	-104.2	118	173.6	-171.4	-174.1	-173.9	0	0	109.9	N17 R21	N17-E19 PolarHBondContact O-N 3.24Å; E19-R21 HydrophobicContact CB-CG 4.36Å; E19-R21 HydrophobicContact CG-CG 3.91Å; E19-R21 PolarHBondContact O-N 3.16Å; E19-R21 IonicContact OE1-NE 3.52Å; E19-R21 IonicContact OE2-CZ 2.7Å; E19-R21 IonicContact OE2-NE 2.69Å; E19-R21 PolarHBondContact OE2-NE 3.21Å; E19-R21 IonicContact OE2-NH2 2.69Å; E19-R21 PolarHBondContact OE2-NH2 3.05Å
20	H	57.3	Low	67.4	Low	147 Å²	147	125.1 Å²	125.1	68%	0.681	64%	0.643	S	S	*	*			trans	-82.4	80	-177.6	-170.7	-103.3	0	0	0	111.4	V22 H23	H20-V22 PolarHBondContact CE1-O 3.05Å; H20-H23 AromaticContact CE1-ND1 3.85Å
21	R	59.6	Low	68.3	Low	202 Å²	202	124.7 Å²	124.7	76%	0.762	64%	0.638	S	S	*	*			trans	-76	-18.7	-170.1	-68.4	-176.1	175.2	-163.2	-6.5	116.3	E19	E19-R21 HydrophobicContact CB-CG 4.36Å; E19-R21 HydrophobicContact CG-CG 3.91Å; E19-R21 PolarHBondContact O-N 3.16Å; E19-R21 IonicContact OE1-NE 3.52Å; E19-R21 IonicContact OE2-CZ 2.7Å; E19-R21 IonicContact OE2-NE 2.69Å; E19-R21 PolarHBondContact OE2-NE 3.21Å; E19-R21 IonicContact OE2-NH2 2.69Å; E19-R21 PolarHBondContact OE2-NH2 3.05Å
22	V	68.9	Low	69.2	Low	80 Å²	80	120.1 Å²	120.1	49%	0.485	62%	0.616	S	S	.	*			trans	-143.3	123.4	-179.3	-177.4	0	0	0	0	108.5	H20 G35 P37	H20-V22 PolarHBondContact CE1-O 3.05Å; V22-G35 WeakPolarHBondContact CG1-O 3.29Å; V22-P37 HydrophobicContact CG1-CG 4.38Å
23	H	72.1	Confident	70.1	Confident	123 Å²	123	117.8 Å²	117.8	57%	0.569	60%	0.6	S	S	*	*			trans	-106.4	137.6	163.5	-170.6	52.1	0	0	0	107.6	H20 G35	H20-H23 AromaticContact CE1-ND1 3.85Å; H23-G35 CarbonylContact O-C 3.54Å; H23-G35 VanDerWaalsContact O-CA 3.32Å; H23-G35 WeakPolarHBondContact O-CA 3.26Å; H23-G35 VanDerWaalsContact O-O 3.13Å
24	T	82.6	Confident	70.7	Confident	62 Å²	62	115.5 Å²	115.5	38%	0.38	58%	0.581	S	S	.	*			trans	-130	129.9	176.5	-58.2	0	0	0	0	107.9	V34 G35 L36	T24-V34 WeakPolarHBondContact CA-O 3.38Å; T24-G35 PolarHBondContact OG1-O 2.93Å; T24-L36 HydrophobicContact CG2-CD2 3.65Å; T24-L36 HydrophobicContact CG2-CG 3.86Å
25	D	73.2	Confident	71.7	Confident	94 Å²	94	113.7 Å²	113.7	50%	0.503	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.8	171.5	-175.4	-156.6	-3.3	0	0	0	110.3	F33 V34	D25-F33 CarbonylContact O-C 3.48Å; D25-F33 WeakPolarHBondContact O-CA 3.42Å; D25-V34 HydrophobicContact CB-CG2 4Å; D25-V34 PolarHBondContact N-O 3.17Å; D25-V34 PolarHBondContact O-N 3.28Å
26	F	79.1	Confident	72.2	Confident	69 Å²	69	110.4 Å²	110.4	30%	0.303	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	114.4	176.2	-175.1	-100.6	0	0	0	111	E28 Q31 F33	F26-E28 HydrophobicContact CD1-CG 4.05Å; F26-E28 HydrophobicContact CE1-CG 4.22Å; F26-E28 PolarHBondContact O-N 2.98Å; F26-Q31 HydrophobicContact CZ-CB 4.39Å; F26-F33 HydrophobicContact CB-CD1 4.09Å; F26-F33 HydrophobicContact CB-CE1 3.97Å; F26-F33 AromaticContact CD2-CD1 3.87Å; F26-F33 HydrophobicContact CD2-CD1 3.87Å; F26-F33 AromaticContact CD2-CD2 3.96Å; F26-F33 HydrophobicContact CD2-CD2 3.96Å; F26-F33 AromaticContact CD2-CE1 3.75Å; F26-F33 HydrophobicContact CD2-CE1 3.75Å; F26-F33 AromaticContact CD2-CE2 3.83Å; F26-F33 HydrophobicContact CD2-CE2 3.83Å; F26-F33 AromaticContact CD2-CG 3.98Å; F26-F33 HydrophobicContact CD2-CG 3.98Å; F26-F33 AromaticContact CD2-CZ 3.72Å; F26-F33 HydrophobicContact CD2-CZ 3.72Å; F26-F33 HydrophobicContact CE2-CD2 4.33Å; F26-F33 HydrophobicContact CE2-CE2 4.11Å; F26-F33 HydrophobicContact CE2-CZ 4.33Å; F26-F33 HydrophobicContact CG-CD1 4.48Å; F26-F33 HydrophobicContact CG-CE1 4.26Å
27	D	78.6	Confident	72.6	Confident	47 Å²	47	107.8 Å²	107.8	25%	0.251	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	105.1	174.9	-178.8	-20.2	0	0	0	108.9	Q29 E30 Q31 K32 V34	D27-Q29 VanDerWaalsContact C-N 3.3Å; D27-Q29 PolarHBondContact O-N 3.31Å; D27-Q29 PolarHBondContact OD1-N 3.23Å; D27-E30 HydrophobicContact CB-CB 4.41Å; D27-E30 PolarHBondContact OD1-N 3.12Å; D27-E30 WeakPolarHBondContact OD2-CG 3.49Å; D27-Q31 VanDerWaalsContact O-CA 3.22Å; D27-Q31 WeakPolarHBondContact O-CA 3.41Å; D27-Q31 PolarHBondContact O-N 2.88Å; D27-K32 HydrophobicContact CB-CG 4.19Å; D27-K32 WeakPolarHBondContact CB-O 3.28Å; D27-K32 PolarHBondContact N-O 3.11Å; D27-K32 PolarHBondContact O-N 3.36Å; D27-V34 HydrophobicContact CB-CG1 3.9Å
28	E	67.9	Low	73	Confident	156 Å²	156	110.9 Å²	110.9	73%	0.729	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.1	179.1	-71.4	-165.3	135.6	0	0	113.5	F26 Q31	F26-E28 HydrophobicContact CD1-CG 4.05Å; F26-E28 HydrophobicContact CE1-CG 4.22Å; F26-E28 PolarHBondContact O-N 2.98Å; E28-Q31 PolarHBondContact O-NE2 2.65Å
29	Q	76.6	Confident	73.3	Confident	188 Å²	188	109 Å²	109	88%	0.879	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-42.8	179.7	-61.1	-172.6	4.9	0	0	110.6	D27	D27-Q29 VanDerWaalsContact C-N 3.3Å; D27-Q29 PolarHBondContact O-N 3.31Å; D27-Q29 PolarHBondContact OD1-N 3.23Å
30	E	76.7	Confident	73.5	Confident	124 Å²	124	109.9 Å²	109.9	58%	0.579	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-0.2	180	-66.4	-90.2	132.8	0	0	113.4	D27 K32	D27-E30 HydrophobicContact CB-CB 4.41Å; D27-E30 PolarHBondContact OD1-N 3.12Å; D27-E30 WeakPolarHBondContact OD2-CG 3.49Å; E30-K32 HydrophobicContact CB-CD 3.61Å; E30-K32 HydrophobicContact CB-CG 3.79Å; E30-K32 HydrophobicContact CG-CD 4.43Å; E30-K32 PolarHBondContact O-N 2.67Å; E30-K32 IonicContact OE2-NZ 3.91Å; E30-K32 PolarHBondContact OE2-NZ 3.13Å
31	Q	75.2	Confident	74.1	Confident	134 Å²	134	107 Å²	107	63%	0.626	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	38.2	-178.6	-68.7	-71.4	-60.6	0	0	114	F26 D27 E28	F26-Q31 HydrophobicContact CZ-CB 4.39Å; D27-Q31 VanDerWaalsContact O-CA 3.22Å; D27-Q31 WeakPolarHBondContact O-CA 3.41Å; D27-Q31 PolarHBondContact O-N 2.88Å; E28-Q31 PolarHBondContact O-NE2 2.65Å
32	K	76.3	Confident	74.3	Confident	88 Å²	88	100.3 Å²	100.3	38%	0.383	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.1	-172.2	71.9	-169.6	175.3	-160.4	0	112.7	D27 E30 V34	D27-K32 HydrophobicContact CB-CG 4.19Å; D27-K32 WeakPolarHBondContact CB-O 3.28Å; D27-K32 PolarHBondContact N-O 3.11Å; D27-K32 PolarHBondContact O-N 3.36Å; E30-K32 HydrophobicContact CB-CD 3.61Å; E30-K32 HydrophobicContact CB-CG 3.79Å; E30-K32 HydrophobicContact CG-CD 4.43Å; E30-K32 PolarHBondContact O-N 2.67Å; E30-K32 IonicContact OE2-NZ 3.91Å; E30-K32 PolarHBondContact OE2-NZ 3.13Å; K32-V34 HydrophobicContact CG-CG1 4.23Å; K32-V34 PolarHBondContact O-N 3.42Å
33	F	77.4	Confident	74.1	Confident	105 Å²	105	102 Å²	102	46%	0.461	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	122.8	170.9	-70.9	-81.5	0	0	0	110.9	D25 F26 L36 I44	D25-F33 CarbonylContact O-C 3.48Å; D25-F33 WeakPolarHBondContact O-CA 3.42Å; F26-F33 HydrophobicContact CB-CD1 4.09Å; F26-F33 HydrophobicContact CB-CE1 3.97Å; F26-F33 AromaticContact CD2-CD1 3.87Å; F26-F33 HydrophobicContact CD2-CD1 3.87Å; F26-F33 AromaticContact CD2-CD2 3.96Å; F26-F33 HydrophobicContact CD2-CD2 3.96Å; F26-F33 AromaticContact CD2-CE1 3.75Å; F26-F33 HydrophobicContact CD2-CE1 3.75Å; F26-F33 AromaticContact CD2-CE2 3.83Å; F26-F33 HydrophobicContact CD2-CE2 3.83Å; F26-F33 AromaticContact CD2-CG 3.98Å; F26-F33 HydrophobicContact CD2-CG 3.98Å; F26-F33 AromaticContact CD2-CZ 3.72Å; F26-F33 HydrophobicContact CD2-CZ 3.72Å; F26-F33 HydrophobicContact CE2-CD2 4.33Å; F26-F33 HydrophobicContact CE2-CE2 4.11Å; F26-F33 HydrophobicContact CE2-CZ 4.33Å; F26-F33 HydrophobicContact CG-CD1 4.48Å; F26-F33 HydrophobicContact CG-CE1 4.26Å; F33-L36 HydrophobicContact CB-CD1 3.46Å; F33-L36 VanDerWaalsContact CB-CD1 3.46Å; F33-L36 HydrophobicContact CB-CG 3.91Å; F33-L36 HydrophobicContact CG-CD1 4.32Å; F33-I44 HydrophobicContact CD2-CD1 3.92Å
34	V	79.4	Confident	73.9	Confident	57 Å²	57	99.9 Å²	99.9	35%	0.345	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	150.9	177.7	-67	0	0	0	0	110.5	T24 D25 D27 K32 L36	T24-V34 WeakPolarHBondContact CA-O 3.38Å; D25-V34 HydrophobicContact CB-CG2 4Å; D25-V34 PolarHBondContact N-O 3.17Å; D25-V34 PolarHBondContact O-N 3.28Å; D27-V34 HydrophobicContact CB-CG1 3.9Å; K32-V34 HydrophobicContact CG-CG1 4.23Å; K32-V34 PolarHBondContact O-N 3.42Å; V34-L36 VanDerWaalsContact C-N 3.25Å; V34-L36 PolarHBondContact O-N 2.81Å
35	G	76.9	Confident	73	Confident	47 Å²	47	102.4 Å²	102.4	49%	0.485	50%	0.496	S	S	.	.	S	Bend	trans	70.1	14.4	-179.5	0	0	0	0	0	115.4	V22 H23 T24	V22-G35 WeakPolarHBondContact CG1-O 3.29Å; H23-G35 CarbonylContact O-C 3.54Å; H23-G35 VanDerWaalsContact O-CA 3.32Å; H23-G35 WeakPolarHBondContact O-CA 3.26Å; H23-G35 VanDerWaalsContact O-O 3.13Å; T24-G35 PolarHBondContact OG1-O 2.93Å
36	L	79	Confident	72.2	Confident	26 Å²	26	103 Å²	103	14%	0.136	50%	0.5	C	S	.	.			trans	-65.9	140.6	170.3	-82.3	173.6	0	0	0	111.7	T24 F33 V34 R38 W40 Q41 I44	T24-L36 HydrophobicContact CG2-CD2 3.65Å; T24-L36 HydrophobicContact CG2-CG 3.86Å; F33-L36 HydrophobicContact CB-CD1 3.46Å; F33-L36 VanDerWaalsContact CB-CD1 3.46Å; F33-L36 HydrophobicContact CB-CG 3.91Å; F33-L36 HydrophobicContact CG-CD1 4.32Å; V34-L36 VanDerWaalsContact C-N 3.25Å; V34-L36 PolarHBondContact O-N 2.81Å; L36-R38 PolarHBondContact O-N 3.09Å; L36-W40 HydrophobicContact CD2-CB 4.14Å; L36-W40 HydrophobicContact CD2-CE3 4.02Å; L36-Q41 HydrophobicContact CB-CG 3.98Å; L36-Q41 HydrophobicContact CD1-CG 4.39Å; L36-I44 HydrophobicContact CD1-CD1 3.47Å; L36-I44 VanDerWaalsContact CD1-CD1 3.47Å
37	P	77.4	Confident	71.2	Confident	46 Å²	46	104.2 Å²	104.2	30%	0.299	51%	0.512	S	S	.	.			trans	-57.7	136.7	163.6	-23	34.2	0	0	0	110.7	V22 Q39 W40	V22-P37 HydrophobicContact CG1-CG 4.38Å; P37-Q39 HydrophobicContact CB-CG 3.89Å; P37-Q39 PolarHBondContact O-N 2.95Å; P37-W40 PolarHBondContact O-N 3.39Å
38	R	70.1	Confident	70.3	Confident	222 Å²	222	106 Å²	106	84%	0.838	53%	0.533	S	S	*	.	H	α-helix	trans	-48.7	-37.5	-176	-67.9	-177	178.4	-179.2	-1.3	114.3	L36 W40 Q41	L36-R38 PolarHBondContact O-N 3.09Å; R38-W40 PolarHBondContact O-N 2.84Å; R38-W40 VanDerWaalsContact O-N 3.12Å; R38-Q41 PolarHBondContact O-N 3.43Å
39	Q	70.3	Confident	69.7	Low	140 Å²	140	105.7 Å²	105.7	65%	0.654	53%	0.53	S	S	*	.	H	α-helix	trans	-60.8	-12.7	175.8	51.5	166.6	16.2	0	0	115.3	P37	P37-Q39 HydrophobicContact CB-CG 3.89Å; P37-Q39 PolarHBondContact O-N 2.95Å
40	W	67.9	Low	68.9	Low	151 Å²	151	106.1 Å²	106.1	57%	0.572	52%	0.523	S	S	*	.	H	α-helix	trans	-108.2	-19.4	178.7	-71.6	24.4	0	0	0	112.8	L36 P37 R38 L43	L36-W40 HydrophobicContact CD2-CB 4.14Å; L36-W40 HydrophobicContact CD2-CE3 4.02Å; P37-W40 PolarHBondContact O-N 3.39Å; R38-W40 PolarHBondContact O-N 2.84Å; R38-W40 VanDerWaalsContact O-N 3.12Å; W40-L43 PolarHBondContact O-N 3.39Å
41	Q	71.3	Confident	67.9	Low	87 Å²	87	106 Å²	106	41%	0.407	53%	0.534	S	S	.	.	H	α-helix	trans	-64.4	-42.9	177.1	-70.5	179.9	-77.6	0	0	111.8	L36 R38 L43 I44 E45	L36-Q41 HydrophobicContact CB-CG 3.98Å; L36-Q41 HydrophobicContact CD1-CG 4.39Å; R38-Q41 PolarHBondContact O-N 3.43Å; Q41-L43 VanDerWaalsContact C-N 3.27Å; Q41-L43 PolarHBondContact O-N 3.49Å; Q41-I44 PolarHBondContact O-N 3.43Å; Q41-E45 PolarHBondContact O-N 3.27Å; Q41-E45 VanDerWaalsContact O-N 3.13Å
42	S	62.8	Low	67.1	Low	61 Å²	61	108.9 Å²	108.9	43%	0.427	54%	0.544	S	S	.	.	H	α-helix	trans	-58.5	-35.4	179.2	52.7	0	0	0	0	113.6	I44 E45 D46	S42-I44 PolarHBondContact O-N 2.99Å; S42-E45 PolarHBondContact O-N 2.61Å; S42-D46 PolarHBondContact O-N 2.89Å; S42-D46 VanDerWaalsContact O-N 3.08Å
43	L	64.5	Low	66.1	Low	115 Å²	115	110.1 Å²	110.1	60%	0.602	56%	0.561	S	S	*	*	H	α-helix	trans	-65.1	-28.4	177.1	-67	171.1	0	0	0	112.7	W40 Q41 T47	W40-L43 PolarHBondContact O-N 3.39Å; Q41-L43 VanDerWaalsContact C-N 3.27Å; Q41-L43 PolarHBondContact O-N 3.49Å; L43-T47 PolarHBondContact O-N 3.18Å; L43-T47 PolarHBondContact O-OG1 2.95Å
44	I	68.9	Low	64.9	Low	79 Å²	79	115.4 Å²	115.4	41%	0.405	58%	0.584	S	S	.	*	H	α-helix	trans	-82.9	-43.5	178.6	-59	-179.2	0	0	0	110	F33 L36 Q41 S42 D46 T47 A48	F33-I44 HydrophobicContact CD2-CD1 3.92Å; L36-I44 HydrophobicContact CD1-CD1 3.47Å; L36-I44 VanDerWaalsContact CD1-CD1 3.47Å; Q41-I44 PolarHBondContact O-N 3.43Å; S42-I44 PolarHBondContact O-N 2.99Å; I44-D46 PolarHBondContact O-N 3.34Å; I44-T47 WeakPolarHBondContact O-CB 3.48Å; I44-T47 PolarHBondContact O-N 3.23Å; I44-T47 VanDerWaalsContact O-N 3.07Å; I44-A48 PolarHBondContact O-N 2.85Å
45	E	62.5	Low	63.6	Low	114 Å²	114	119.2 Å²	119.2	53%	0.533	60%	0.601	S	S	.	*	H	α-helix	trans	-61.2	-41	177.5	-69.9	-179.4	-169.4	0	0	113.1	Q41 S42 T47 A48 K49	Q41-E45 PolarHBondContact O-N 3.27Å; Q41-E45 VanDerWaalsContact O-N 3.13Å; S42-E45 PolarHBondContact O-N 2.61Å; E45-T47 VanDerWaalsContact C-N 3.28Å; E45-T47 PolarHBondContact O-N 2.9Å; E45-A48 PolarHBondContact O-N 3.49Å; E45-K49 PolarHBondContact O-N 3.39Å
46	D	57.5	Low	62.3	Low	108 Å²	108	121.8 Å²	121.8	58%	0.578	60%	0.604	S	S	*	*	H	α-helix	trans	-71.5	-23.6	174.9	-80.5	-10	0	0	0	112.9	S42 I44 K49	S42-D46 PolarHBondContact O-N 2.89Å; S42-D46 VanDerWaalsContact O-N 3.08Å; I44-D46 PolarHBondContact O-N 3.34Å; D46-K49 IonicContact OD1-NZ 2.73Å; D46-K49 PolarHBondContact OD1-NZ 2.99Å
47	T	58.9	Low	60.9	Low	93 Å²	93	124.7 Å²	124.7	57%	0.571	63%	0.632	S	S	*	*	H	α-helix	trans	-74.4	-35.5	172.2	-59.9	0	0	0	0	111.3	L43 I44 E45 K49 R50	L43-T47 PolarHBondContact O-N 3.18Å; L43-T47 PolarHBondContact O-OG1 2.95Å; I44-T47 WeakPolarHBondContact O-CB 3.48Å; I44-T47 PolarHBondContact O-N 3.23Å; I44-T47 VanDerWaalsContact O-N 3.07Å; E45-T47 VanDerWaalsContact C-N 3.28Å; E45-T47 PolarHBondContact O-N 2.9Å; T47-K49 VanDerWaalsContact C-N 3.31Å; T47-K49 PolarHBondContact O-N 3.39Å; T47-R50 VanDerWaalsContact O-CB 3.27Å; T47-R50 WeakPolarHBondContact O-CB 3.39Å; T47-R50 PolarHBondContact O-N 3.13Å
48	A	59	Low	59.8	Low	84 Å²	84	128.2 Å²	128.2	69%	0.694	65%	0.652	S	S	*	*	H	α-helix	trans	-67.7	-26.6	178.8	0	0	0	0	0	113.9	I44 E45 R50	I44-A48 PolarHBondContact O-N 2.85Å; E45-A48 PolarHBondContact O-N 3.49Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 2.94Å
49	K	55.2	Low	58.9	Low	151 Å²	151	123.2 Å²	123.2	66%	0.657	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-2.3	176.5	-64.6	165.8	-164.8	155.4	0	113.8	E45 D46 T47	E45-K49 PolarHBondContact O-N 3.39Å; D46-K49 IonicContact OD1-NZ 2.73Å; D46-K49 PolarHBondContact OD1-NZ 2.99Å; T47-K49 VanDerWaalsContact C-N 3.31Å; T47-K49 PolarHBondContact O-N 3.39Å
50	R	59.2	Low	58	Low	197 Å²	197	122.4 Å²	122.4	74%	0.743	65%	0.645	S	S	*	*	S	Bend	trans	-83.4	135	-174.1	-151.8	173.8	-163.8	179.5	5.2	110.8	T47 A48 K52	T47-R50 VanDerWaalsContact O-CB 3.27Å; T47-R50 WeakPolarHBondContact O-CB 3.39Å; T47-R50 PolarHBondContact O-N 3.13Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 2.94Å; R50-K52 PolarHBondContact O-N 3.43Å
51	P	57.1	Low	56.7	Low	122 Å²	122	120.6 Å²	120.6	79%	0.792	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-55.3	134.1	176.4	-26.9	35	0	0	0	112
52	K	57.3	Low	55.2	Low	193 Å²	193	123.7 Å²	123.7	84%	0.839	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-61.9	143.1	174.5	-67.3	-175.6	179.3	-178.3	0	109.7	R50	R50-K52 PolarHBondContact O-N 3.43Å
53	P	54.9	Low	54.1	Low	114 Å²	114	126.9 Å²	126.9	74%	0.74	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-62.2	144.1	178.7	26.9	-34.6	0	0	0	111	I55	P53-I55 PolarHBondContact O-N 2.97Å
54	F	51.9	Low	52.8	Low	217 Å²	217	129.6 Å²	129.6	95%	0.952	70%	0.702	S	S	*	*	S	Bend	trans	-74.3	8.1	-172.2	-139	-90.6	0	0	0	114.6
55	I	52.6	Low	51.4	Low	137 Å²	137	131.9 Å²	131.9	70%	0.703	72%	0.722	S	S	*	*	S	Bend	trans	-136.4	124	-176.5	-55.3	180	0	0	0	107.6	P53	P53-I55 PolarHBondContact O-N 2.97Å
56	D	49.7	Very low	50.2	Low	100 Å²	100	138 Å²	138	54%	0.535	74%	0.741	S	S	.	*			trans	-76.6	127.2	174	-165.4	-44.6	0	0	0	110.1	T58 V59	D56-T58 VanDerWaalsContact CG-OG1 3.26Å; D56-T58 PolarHBondContact O-N 3.15Å; D56-T58 WeakPolarHBondContact OD1-CB 3.45Å; D56-T58 WeakPolarHBondContact OD1-CG2 3.41Å; D56-T58 PolarHBondContact OD1-N 3.36Å; D56-T58 PolarHBondContact OD1-OG1 3.47Å; D56-V59 HydrophobicContact CB-CG2 4.28Å
57	A	50.2	Low	49.1	Very low	88 Å²	88	142.3 Å²	142.3	73%	0.727	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-8.9	-178.1	0	0	0	0	0	113.9
58	T	54.8	Low	47.9	Very low	119 Å²	119	144.4 Å²	144.4	73%	0.73	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-11.8	179.9	60.2	0	0	0	0	114.2	D56	D56-T58 VanDerWaalsContact CG-OG1 3.26Å; D56-T58 PolarHBondContact O-N 3.15Å; D56-T58 WeakPolarHBondContact OD1-CB 3.45Å; D56-T58 WeakPolarHBondContact OD1-CG2 3.41Å; D56-T58 PolarHBondContact OD1-N 3.36Å; D56-T58 PolarHBondContact OD1-OG1 3.47Å
59	V	51.5	Low	46.6	Very low	117 Å²	117	147.6 Å²	147.6	71%	0.709	77%	0.771	S	S	*	*			trans	-111.6	47.3	-166.6	-160.8	0	0	0	0	112.7	D56	D56-V59 HydrophobicContact CB-CG2 4.28Å
60	I	50	Low	45.5	Very low	123 Å²	123	146.7 Å²	146.7	63%	0.631	78%	0.778	S	S	*	*			trans	-114.7	100.4	-177.4	-60.9	-176.6	0	0	0	112.2
61	T	41.2	Very low	44.3	Very low	114 Å²	114	147.8 Å²	147.8	70%	0.699	78%	0.782	S	S	*	*			trans	49.3	120.3	161	51.9	0	0	0	0	119.6
62	T	39.6	Very low	42.9	Very low	151 Å²	151	145 Å²	145	93%	0.926	78%	0.776	S	S	*	*			trans	-60.8	130.7	158.4	42.2	0	0	0	0	111.1
63	V	40.3	Very low	42	Very low	129 Å²	129	143.1 Å²	143.1	78%	0.782	78%	0.781	S	S	*	*			trans	-110.1	122.8	175.6	-177.3	0	0	0	0	108.9
64	E	35.8	Very low	41.1	Very low	171 Å²	171	147.1 Å²	147.1	80%	0.799	79%	0.786	S	S	*	*			trans	-67.7	143	176.5	-66.9	-170	151.5	0	0	112.1	R66	E64-R66 PolarHBondContact O-N 3.11Å
65	P	39.9	Very low	40.4	Very low	128 Å²	128	145 Å²	145	83%	0.831	78%	0.784	S	S	*	*			trans	-71	101.4	-179.5	28.7	-34.3	0	0	0	111.4
66	R	37.3	Very low	39.5	Very low	242 Å²	242	141.1 Å²	141.1	91%	0.913	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-64.8	137.8	174.2	-76.6	-175.5	167.3	-171.2	-4.4	111.6	E64	E64-R66 PolarHBondContact O-N 3.11Å
67	K	35.1	Very low	38.9	Very low	198 Å²	198	142 Å²	142	86%	0.861	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-61.2	142.8	-175.8	-62.6	177.3	-179.6	178	0	112.5	I69	K67-I69 PolarHBondContact O-N 3.43Å
68	T	33.5	Very low	38.5	Very low	137 Å²	137	143.7 Å²	143.7	84%	0.84	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-63.1	117.4	176.8	-48.9	0	0	0	0	111.5
69	I	31.7	Very low	37.9	Very low	152 Å²	152	141.2 Å²	141.2	78%	0.779	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-92.7	116	171	-60.5	177.7	0	0	0	108.6	K67 R71	K67-I69 PolarHBondContact O-N 3.43Å; I69-R71 PolarHBondContact O-N 2.86Å
70	V	33.1	Very low	37.6	Very low	132 Å²	132	137.7 Å²	137.7	80%	0.8	77%	0.774	S	S	*	*			trans	-72.1	115.3	171.6	179.6	0	0	0	0	108.5	G72	V70-G72 PolarHBondContact O-N 3.39Å
71	R	32.2	Very low	37.4	Very low	219 Å²	219	133.8 Å²	133.8	83%	0.826	76%	0.755	S	S	*	*			trans	-70.7	96.1	176.5	-80	-174.3	168.6	-159.7	-7.1	110.2	I69 E87	I69-R71 PolarHBondContact O-N 2.86Å; R71-E87 IonicContact NH2-OE1 3.43Å; R71-E87 PolarHBondContact NH2-OE1 2.82Å
72	G	28.3	Very low	37.8	Very low	65 Å²	65	131.2 Å²	131.2	67%	0.67	74%	0.739	S	S	*	*			trans	-85.9	135.1	162.6	0	0	0	0	0	110.9	V70 K74	V70-G72 PolarHBondContact O-N 3.39Å; G72-K74 PolarHBondContact O-N 3.39Å
73	T	38.3	Very low	38.3	Very low	153 Å²	153	131.8 Å²	131.8	94%	0.939	72%	0.724	S	S	*	*			trans	-70	119.3	176.6	2.3	0	0	0	0	111
74	K	35.4	Very low	38.6	Very low	198 Å²	198	127.1 Å²	127.1	86%	0.861	69%	0.694	S	S	*	*			trans	-138.5	133.8	163.1	-69.4	-167.4	176	-172.5	0	108.8	G72	G72-K74 PolarHBondContact O-N 3.39Å
75	L	37.1	Very low	39.4	Very low	172 Å²	172	120 Å²	120	90%	0.901	66%	0.662	S	S	*	*			trans	-70.4	144.4	165.2	-71.6	92.8	0	0	0	109.2
76	G	35.3	Very low	40	Very low	56 Å²	56	117.2 Å²	117.2	58%	0.577	64%	0.64	S	S	*	*			trans	-65.8	143.5	170.7	0	0	0	0	0	111.2	D78	G76-D78 PolarHBondContact O-N 3.08Å
77	A	36.9	Very low	40.6	Very low	118 Å²	118	109 Å²	109	98%	0.975	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	10.1	-173.2	0	0	0	0	0	114.4
78	D	41	Very low	41.2	Very low	124 Å²	124	101.5 Å²	101.5	66%	0.663	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	-8.7	-176.6	63.5	-12.8	0	0	0	113.5	G76 S80	G76-D78 PolarHBondContact O-N 3.08Å; D78-S80 PolarHBondContact O-N 3.4Å; D78-S80 PolarHBondContact OD1-N 3.34Å; D78-S80 WeakPolarHBondContact OD2-CB 3.42Å
79	G	41.9	Very low	41.8	Very low	67 Å²	67	98.3 Å²	98.3	69%	0.691	56%	0.557	S	S	*	*			trans	67.8	6.1	-177	0	0	0	0	0	114.8
80	S	45.3	Very low	42.5	Very low	42 Å²	42	95.7 Å²	95.7	29%	0.294	55%	0.549	S	S	.	.			trans	-79.8	129.3	-170.9	-172.3	0	0	0	0	112.3	D78 T82 W83	D78-S80 PolarHBondContact O-N 3.4Å; D78-S80 PolarHBondContact OD1-N 3.34Å; D78-S80 WeakPolarHBondContact OD2-CB 3.42Å; S80-T82 PolarHBondContact O-N 3.02Å; S80-T82 PolarHBondContact OG-N 2.72Å; S80-T82 PolarHBondContact OG-OG1 3.36Å; S80-W83 VanDerWaalsContact O-CD1 3.3Å
81	L	46.9	Very low	42.6	Very low	42 Å²	42	93.5 Å²	93.5	22%	0.22	53%	0.53	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	1	177.3	-58.8	-173.8	0	0	0	113.4	W83 L84 V374	L81-W83 PolarHBondContact O-N 2.84Å; L81-W83 VanDerWaalsContact O-N 3.09Å; L81-L84 HydrophobicContact CD2-CD1 4.48Å; L81-L84 PolarHBondContact O-N 2.85Å; L81-V374 HydrophobicContact CD1-CB 4.42Å; L81-V374 HydrophobicContact CD1-CG1 4.12Å
82	T	48.6	Very low	42.6	Very low	60 Å²	60	86.7 Å²	86.7	37%	0.368	52%	0.517	S	S	.	.	H	α-helix	trans	-54.3	-31.7	-178.7	-48	0	0	0	0	113.3	S80 L84 L85 D86 Q527	S80-T82 PolarHBondContact O-N 3.02Å; S80-T82 PolarHBondContact OG-N 2.72Å; S80-T82 PolarHBondContact OG-OG1 3.36Å; T82-L84 VanDerWaalsContact C-N 3.26Å; T82-L84 PolarHBondContact O-N 3.21Å; T82-L85 WeakPolarHBondContact O-CB 3.33Å; T82-L85 PolarHBondContact O-N 2.81Å; T82-L85 VanDerWaalsContact O-N 3.1Å; T82-D86 PolarHBondContact O-N 3.29Å; T82-Q527 HydrophobicContact CG2-CG 4.44Å
83	W	50.8	Low	42.9	Very low	163 Å²	163	89 Å²	89	62%	0.617	52%	0.517	S	S	*	.	H	α-helix	trans	-58.9	-32.5	178.1	74.8	-66.3	0	0	0	114	S80 L81 D86 E87	S80-W83 VanDerWaalsContact O-CD1 3.3Å; L81-W83 PolarHBondContact O-N 2.84Å; L81-W83 VanDerWaalsContact O-N 3.09Å; W83-D86 PolarHBondContact O-N 3.06Å; W83-E87 PolarHBondContact O-N 2.66Å
84	L	46.8	Very low	42.4	Very low	30 Å²	30	86.9 Å²	86.9	16%	0.157	50%	0.504	C	S	.	.	H	α-helix	trans	-68.9	-35.6	176.9	-71.5	167	0	0	0	111.7	L81 T82 F88 V374	L81-L84 HydrophobicContact CD2-CD1 4.48Å; L81-L84 PolarHBondContact O-N 2.85Å; T82-L84 VanDerWaalsContact C-N 3.26Å; T82-L84 PolarHBondContact O-N 3.21Å; L84-F88 WeakPolarHBondContact O-CD2 3.43Å; L84-F88 PolarHBondContact O-N 3.32Å; L84-F88 VanDerWaalsContact O-N 3.09Å; L84-V374 HydrophobicContact CD1-CG1 4.32Å
85	L	52.5	Low	42.1	Very low	21 Å²	21	88.4 Å²	88.4	11%	0.11	51%	0.505	C	S	.	.	H	α-helix	trans	-65	-41.2	177.2	-63.4	176.3	0	0	0	110.9	T82 F88 D89 F427 V431	T82-L85 WeakPolarHBondContact O-CB 3.33Å; T82-L85 PolarHBondContact O-N 2.81Å; T82-L85 VanDerWaalsContact O-N 3.1Å; L85-F88 PolarHBondContact O-N 2.94Å; L85-D89 WeakPolarHBondContact O-CB 3.21Å; L85-D89 PolarHBondContact O-N 3Å; L85-F427 HydrophobicContact CD2-CB 3.62Å; L85-F427 HydrophobicContact CD2-CG 4.43Å; L85-V431 HydrophobicContact CD1-CB 4.5Å; L85-V431 HydrophobicContact CD1-CG1 4.12Å
86	D	52.6	Low	41.5	Very low	71 Å²	71	85.9 Å²	85.9	38%	0.38	50%	0.502	S	S	.	.	H	α-helix	trans	-72.6	-38.1	178.8	-165.2	58.3	0	0	0	112.7	T82 W83 F88 D89 T90	T82-D86 PolarHBondContact O-N 3.29Å; W83-D86 PolarHBondContact O-N 3.06Å; D86-F88 VanDerWaalsContact C-N 3.29Å; D86-F88 PolarHBondContact O-N 3.23Å; D86-D89 PolarHBondContact O-N 2.81Å; D86-T90 WeakPolarHBondContact O-CB 3.3Å; D86-T90 WeakPolarHBondContact O-CG2 3.4Å; D86-T90 PolarHBondContact O-N 3.25Å; D86-T90 PolarHBondContact O-OG1 3.48Å
87	E	48.8	Very low	41.1	Very low	68 Å²	68	89.6 Å²	89.6	32%	0.318	51%	0.508	S	S	.	.	H	α-helix	trans	-64	-32.7	172.7	-171.3	163.6	-135.5	0	0	111.6	R71 W83 T90 M91	R71-E87 IonicContact NH2-OE1 3.43Å; R71-E87 PolarHBondContact NH2-OE1 2.82Å; W83-E87 PolarHBondContact O-N 2.66Å; E87-T90 PolarHBondContact O-OG1 3.5Å; E87-M91 HydrophobicContact CG-CE 3.92Å; E87-M91 WeakPolarHBondContact O-CG 3.17Å
88	F	48.3	Very low	40.6	Very low	42 Å²	42	88.4 Å²	88.4	18%	0.184	49%	0.493	C	S	.	.	H	α-helix	trans	-78.5	-35.8	172	-78.7	-60.4	0	0	0	114.3	L84 L85 D86 T90 M91 V362 A370 F427	L84-F88 WeakPolarHBondContact O-CD2 3.43Å; L84-F88 PolarHBondContact O-N 3.32Å; L84-F88 VanDerWaalsContact O-N 3.09Å; L85-F88 PolarHBondContact O-N 2.94Å; D86-F88 VanDerWaalsContact C-N 3.29Å; D86-F88 PolarHBondContact O-N 3.23Å; F88-T90 VanDerWaalsContact C-N 3.34Å; F88-M91 HydrophobicContact CD1-SD 4.43Å; F88-M91 PolarHBondContact O-N 2.72Å; F88-V362 HydrophobicContact CE1-CG1 4.42Å; F88-V362 HydrophobicContact CE1-CG2 4.26Å; F88-A370 HydrophobicContact CE2-CB 3.97Å; F88-A370 HydrophobicContact CZ-CB 3.69Å; F88-F427 HydrophobicContact CD2-CD2 4.3Å; F88-F427 AromaticContact CD2-CE2 3.79Å; F88-F427 HydrophobicContact CD2-CE2 3.79Å; F88-F427 HydrophobicContact CD2-CZ 4.2Å; F88-F427 AromaticContact CE2-CE2 3.61Å; F88-F427 HydrophobicContact CE2-CE2 3.61Å; F88-F427 AromaticContact CE2-CZ 3.64Å; F88-F427 HydrophobicContact CE2-CZ 3.64Å; F88-F427 HydrophobicContact CZ-CE2 4.22Å; F88-F427 HydrophobicContact CZ-CZ 4.3Å
89	D	45.8	Very low	40.1	Very low	70 Å²	70	89.1 Å²	89.1	37%	0.374	50%	0.496	S	S	.	.	H	α-helix	trans	-70.6	-28.8	178.1	-106	-48	0	0	0	113.1	L85 D86 M91 R535	L85-D89 WeakPolarHBondContact O-CB 3.21Å; L85-D89 PolarHBondContact O-N 3Å; D86-D89 PolarHBondContact O-N 2.81Å; D89-M91 VanDerWaalsContact C-N 3.28Å; D89-R535 VanDerWaalsContact CG-NH1 3.31Å; D89-R535 IonicContact OD1-CZ 3.92Å; D89-R535 IonicContact OD1-NH1 3.28Å; D89-R535 IonicContact OD1-NH2 3.79Å; D89-R535 PolarHBondContact OD1-NH2 2.94Å; D89-R535 IonicContact OD2-CZ 3.2Å; D89-R535 IonicContact OD2-NH1 2.94Å; D89-R535 PolarHBondContact OD2-NH1 3.1Å; D89-R535 IonicContact OD2-NH2 2.66Å; D89-R535 PolarHBondContact OD2-NH2 3.12Å
90	T	45.5	Very low	39.7	Very low	97 Å²	97	97.2 Å²	97.2	60%	0.595	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-15.9	173.6	50.8	0	0	0	0	113.2	D86 E87 F88 S92	D86-T90 WeakPolarHBondContact O-CB 3.3Å; D86-T90 WeakPolarHBondContact O-CG2 3.4Å; D86-T90 PolarHBondContact O-N 3.25Å; D86-T90 PolarHBondContact O-OG1 3.48Å; E87-T90 PolarHBondContact O-OG1 3.5Å; F88-T90 VanDerWaalsContact C-N 3.34Å; T90-S92 PolarHBondContact O-N 3.27Å
91	M	36.3	Very low	39	Very low	85 Å²	85	106.9 Å²	106.9	42%	0.419	54%	0.535	S	S	.	.	S	Bend	trans	-78.8	78.9	173.4	-69.8	-175.7	-164.4	0	0	112.2	E87 F88 D89 V93 V362	E87-M91 HydrophobicContact CG-CE 3.92Å; E87-M91 WeakPolarHBondContact O-CG 3.17Å; F88-M91 HydrophobicContact CD1-SD 4.43Å; F88-M91 PolarHBondContact O-N 2.72Å; D89-M91 VanDerWaalsContact C-N 3.28Å; M91-V93 PolarHBondContact O-N 3.32Å; M91-V362 HydrophobicContact SD-CG2 3.72Å
92	S	31.8	Very low	38.2	Very low	77 Å²	77	108.4 Å²	108.4	54%	0.538	56%	0.562	S	S	.	*			trans	-41.2	120.3	176.6	159.2	0	0	0	0	115.2	T90	T90-S92 PolarHBondContact O-N 3.27Å
93	V	35.2	Very low	37.4	Very low	113 Å²	113	111 Å²	111	69%	0.685	58%	0.582	S	S	*	*			trans	-119.9	113.2	165.6	-176.4	0	0	0	0	111.3	M91	M91-V93 PolarHBondContact O-N 3.32Å
94	T	28.2	Very low	36.6	Very low	108 Å²	108	108.8 Å²	108.8	66%	0.663	59%	0.589	S	S	*	*			trans	-83.2	120.5	-177.9	-54.7	0	0	0	0	112.3
95	R	27.4	Very low	35.8	Very low	230 Å²	230	113.3 Å²	113.3	87%	0.868	62%	0.62	S	S	*	*			trans	40	119.7	156.8	-61.9	179.9	178.8	-175.4	1	119.1
96	S	25.7	Very low	34.7	Very low	120 Å²	120	118.9 Å²	118.9	84%	0.839	66%	0.655	S	S	*	*			trans	-154.5	125.7	131.8	-84.5	0	0	0	0	110.7
97	N	27	Very low	33.8	Very low	134 Å²	134	124.4 Å²	124.4	72%	0.717	68%	0.678	S	S	*	*			trans	-101.8	124.9	175.1	-91.1	11	0	0	0	109.2
98	S	26.1	Very low	33	Very low	92 Å²	92	127 Å²	127	64%	0.643	70%	0.701	S	S	*	*			trans	-152.7	78.5	166.8	-164.2	0	0	0	0	111.7
99	L	31	Very low	32.1	Very low	139 Å²	139	134 Å²	134	73%	0.728	73%	0.727	S	S	*	*			trans	-88.7	108.2	172.1	-67.5	176.1	0	0	0	109.7
100	R	33.5	Very low	31.3	Very low	238 Å²	238	141.8 Å²	141.8	90%	0.898	75%	0.751	S	S	*	*			trans	-92.8	162.2	168.3	-82.9	-171.6	172.7	-115.7	-0.3	111.3
101	R	29.6	Very low	30.7	Very low	244 Å²	244	145 Å²	145	92%	0.921	76%	0.764	S	S	*	*			trans	-84.4	147.3	-166	-53.4	176.3	-174.1	178.6	0.2	112.4
102	G	29.6	Very low	30.4	Very low	75 Å²	75	146.8 Å²	146.8	77%	0.773	79%	0.785	S	S	*	*			trans	-168.9	113.6	162.7	0	0	0	0	0	109.8
103	S	32.4	Very low	30.4	Very low	113 Å²	113	148.4 Å²	148.4	79%	0.79	80%	0.803	S	S	*	*			trans	-127.8	137.2	173.2	-56.9	0	0	0	0	108
104	P	33.6	Very low	30.1	Very low	117 Å²	117	146.8 Å²	146.8	76%	0.76	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-71.5	156.6	175.9	30.7	-34.6	0	0	0	111.4
105	P	31.5	Very low	30.1	Very low	125 Å²	125	145.1 Å²	145.1	81%	0.812	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-79.1	127.8	-178.1	31.2	-34	0	0	0	112.3
106	T	29.2	Very low	30.3	Very low	139 Å²	139	142 Å²	142	85%	0.853	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-77.5	132.8	169.8	48.7	0	0	0	0	111.4
107	Q	32.6	Very low	30.5	Very low	186 Å²	186	143.2 Å²	143.2	87%	0.869	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-89	141.5	167.9	-65	-172	6.1	0	0	110.8
108	P	32.7	Very low	30.7	Very low	123 Å²	123	144 Å²	144	80%	0.799	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-74.6	135.6	175.5	30.3	-33.5	0	0	0	111.5
109	R	28.8	Very low	30.8	Very low	190 Å²	190	143.6 Å²	143.6	72%	0.717	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-65.2	142.3	166.8	-85.7	-179.7	163.5	135.8	-2.4	109.9	H472	R109-H472 PolarHBondContact NH2-O 3.32Å
110	R	30.4	Very low	30.7	Very low	233 Å²	233	144.3 Å²	144.3	88%	0.879	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-84.4	130.7	162.4	-80	177.6	165.7	173.7	-6.5	109.1
111	D	31.2	Very low	31.8	Very low	165 Å²	165	137 Å²	137	88%	0.882	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-77	156.1	155.5	-69.7	-50	0	0	0	110.2
112	S	31.4	Very low	31.8	Very low	122 Å²	122	135.9 Å²	135.9	85%	0.853	80%	0.799	S	S	*	*			trans	-122.2	123.1	-176.8	-62.6	0	0	0	0	111.3
113	A	31.5	Very low	31.9	Very low	111 Å²	111	139.6 Å²	139.6	92%	0.917	80%	0.796	S	S	*	*			trans	-129.7	145.4	158.5	0	0	0	0	0	107.1
114	G	29.2	Very low	31.8	Very low	79 Å²	79	143.9 Å²	143.9	81%	0.814	80%	0.795	S	S	*	*			trans	-135.8	166.5	-170.2	0	0	0	0	0	113.6
115	G	27.8	Very low	31.5	Very low	73 Å²	73	144 Å²	144	75%	0.753	79%	0.789	S	S	*	*			trans	85.3	144.1	-173.4	0	0	0	0	0	112.9
116	E	30.6	Very low	31.5	Very low	163 Å²	163	146 Å²	146	76%	0.762	79%	0.787	S	S	*	*			cis	-151.8	156.4	-5.5	-84.4	-160.1	73.8	0	0	111.6
117	Q	30.8	Very low	31.4	Very low	146 Å²	146	144.5 Å²	144.5	68%	0.682	78%	0.782	S	S	*	*			trans	44.8	125	148.2	-62.8	-173.6	62	0	0	123.1
118	N	30.8	Very low	31.2	Very low	152 Å²	152	143.9 Å²	143.9	81%	0.813	78%	0.779	S	S	*	*			trans	60.7	120	138.1	-58.4	-26.3	0	0	0	121.8
119	G	28.4	Very low	32.1	Very low	82 Å²	82	143.6 Å²	143.6	85%	0.845	78%	0.777	S	S	*	*			trans	159.7	122	157	0	0	0	0	0	115.5
120	D	30.1	Very low	32.3	Very low	155 Å²	155	141.5 Å²	141.5	83%	0.829	78%	0.78	S	S	*	*			trans	-144.3	161.3	172.1	-166.3	45.3	0	0	0	108.2
121	P	54.8	Low	32.3	Very low	85 Å²	85	142 Å²	142	55%	0.552	78%	0.782	S	S	*	*				-117.9	172.7	-70.7	32.6	-17.5	0	0	0	112.2
122	R	31.1	Very low	32.3	Very low	220 Å²	220	140.7 Å²	140.7	83%	0.83	78%	0.775	S	S	*	*				165.5	142.8	124.1	-90	157.6	-175.3	-159.2	0.5	116.1
123	H	32.2	Very low	32.3	Very low	152 Å²	152	145.9 Å²	145.9	70%	0.704	78%	0.776	S	S	*	*			trans	66	122.5	139.9	-76.3	-41.6	0	0	0	124.4
124	R	29.9	Very low	32.3	Very low	203 Å²	203	147.4 Å²	147.4	77%	0.766	77%	0.767	S	S	*	*				99.9	112.1	121.8	-80.5	178.4	172.2	-162.2	-1.9	121.3
125	L	27.7	Very low	32.5	Very low	121 Å²	121	154.1 Å²	154.1	63%	0.634	77%	0.768	S	S	*	*				73.2	131.1	122.5	-65	169.6	0	0	0	122
126	H	30.2	Very low	32.8	Very low	165 Å²	165	158.5 Å²	158.5	76%	0.764	77%	0.769	S	S	*	*			trans	65.8	157.3	150.3	-57.8	-36.1	0	0	0	117.8
127	S	27.7	Very low	32.8	Very low	108 Å²	108	156.8 Å²	156.8	76%	0.755	77%	0.765	S	S	*	*			cis	-164.4	162.6	-28.5	52.2	0	0	0	0	110.2
128	H	28.8	Very low	33	Very low	174 Å²	174	158.2 Å²	158.2	81%	0.806	77%	0.771	S	S	*	*			trans	-57	172.3	165.6	-82.7	-69.3	0	0	0	113.8
129	P	50	Low	34.1	Very low	116 Å²	116	156.7 Å²	156.7	75%	0.753	77%	0.77	S	S	*	*			cis	-133.6	-166.4	2.2	28.5	-3.7	0	0	0	115.2
130	D	34.2	Very low	34.3	Very low	146 Å²	146	157.7 Å²	157.7	78%	0.781	77%	0.77	S	S	*	*			trans	-57.1	162.3	173.8	-48.1	-97.4	0	0	0	117
131	R	30.2	Very low	34.4	Very low	244 Å²	244	154.4 Å²	154.4	92%	0.921	77%	0.773	S	S	*	*			trans	-163.5	156.4	140.9	-120.9	175.4	-179.3	-177.6	0.9	116.3
132	D	31.8	Very low	33.3	Very low	138 Å²	138	154.3 Å²	154.3	74%	0.738	79%	0.788	S	S	*	*			trans	-79.6	157.1	-172.2	-40.2	-106.3	0	0	0	116.5
133	R	31.1	Very low	33.5	Very low	230 Å²	230	151.5 Å²	151.5	87%	0.868	79%	0.789	S	S	*	*			trans	-172.9	135.1	135.6	-95.6	145	-172.4	-144.2	-0.5	108.3
134	L	30.5	Very low	34.6	Very low	143 Å²	143	148.8 Å²	148.8	75%	0.749	79%	0.785	S	S	*	*				62.7	131.1	59.2	-59.2	170.3	0	0	0	111.4
135	R	33.2	Very low	34.9	Very low	221 Å²	221	146.5 Å²	146.5	83%	0.834	78%	0.783	S	S	*	*			cis	-169.5	-171.2	7.7	-137.8	179.2	-171.7	-170.9	2.6	109.9
136	Q	33.7	Very low	35.3	Very low	165 Å²	165	149.1 Å²	149.1	77%	0.771	79%	0.791	S	S	*	*			trans	79.2	145.7	162.9	-47.9	-162.3	-98.9	0	0	117.9
137	D	32	Very low	35.4	Very low	126 Å²	126	144.6 Å²	144.6	67%	0.674	79%	0.789	S	S	*	*			cis	-157.6	175.6	-22.3	-103	-33.1	0	0	0	112.1
138	H	34.8	Very low	35.8	Very low	176 Å²	176	147 Å²	147	82%	0.815	79%	0.789	S	S	*	*			trans	-84.8	-166.9	-173.9	-58.8	-77.3	0	0	0	114.1
139	P	53.3	Low	36.1	Very low	121 Å²	121	149.8 Å²	149.8	79%	0.786	79%	0.792	S	S	*	*			cis	-141.3	-173.8	-2.8	35.4	-11.5	0	0	0	118.6
140	A	34	Very low	35.3	Very low	103 Å²	103	147.5 Å²	147.5	85%	0.851	79%	0.79	S	S	*	*			trans	73.5	147.1	160.4	0	0	0	0	0	119.5
141	G	31.4	Very low	35.2	Very low	86 Å²	86	147.7 Å²	147.7	89%	0.887	80%	0.796	S	S	*	*			cis	132.7	135.5	-3.1	0	0	0	0	0	112.2
142	G	31	Very low	35.4	Very low	83 Å²	83	144.6 Å²	144.6	86%	0.856	79%	0.792	S	S	*	*			cis	-165.6	-173	0.9	0	0	0	0	0	113.5
143	D	35.3	Very low	36.6	Very low	161 Å²	161	142.8 Å²	142.8	86%	0.861	79%	0.788	S	S	*	*			trans	-86.4	-166.4	-172.3	-133.5	-5.2	0	0	0	112.8
144	P	56.6	Low	36.8	Very low	94 Å²	94	140.2 Å²	140.2	61%	0.61	79%	0.786	S	S	*	*			cis	-138.5	-179.8	-21.1	30.7	-8.2	0	0	0	115.6
145	Q	35	Very low	37.1	Very low	155 Å²	155	140 Å²	140	72%	0.724	79%	0.786	S	S	*	*				164.9	135.9	114	-86.8	-166.1	31.4	0	0	117
146	H	37	Very low	37.2	Very low	176 Å²	176	138.5 Å²	138.5	82%	0.815	79%	0.788	S	S	*	*			trans	38	154.2	146.2	-57.7	-35.1	0	0	0	123.7
147	G	30.9	Very low	37.3	Very low	70 Å²	70	134.1 Å²	134.1	72%	0.722	79%	0.787	S	S	*	*			cis	-154	-162.9	11.8	0	0	0	0	0	114.9
148	Q	37.3	Very low	37.5	Very low	160 Å²	160	134 Å²	134	75%	0.748	79%	0.79	S	S	*	*			trans	-120.5	166.8	-163	-47.1	-178	-3.2	0	0	116.8
149	R	34.8	Very low	37.6	Very low	231 Å²	231	135.1 Å²	135.1	87%	0.872	80%	0.796	S	S	*	*			trans	77.2	161.8	153.4	-68.3	166.4	-166.6	-126.1	-0.1	118.3
150	G	32.8	Very low	36.4	Very low	69 Å²	69	133 Å²	133	71%	0.711	80%	0.796	S	S	*	*			trans	-160.4	-174.9	175.3	0	0	0	0	0	110
151	V	33	Very low	36.5	Very low	150 Å²	150	139.9 Å²	139.9	91%	0.909	80%	0.8	S	S	*	*			trans	172.2	162.1	168.4	140.6	0	0	0	0	109.1
152	Q	34.8	Very low	37.6	Very low	179 Å²	179	140.8 Å²	140.8	84%	0.836	79%	0.79	S	S	*	*			trans	-104.7	-174.3	175.5	-56.7	179.9	-49.6	0	0	110.9
153	P	56.1	Low	37.9	Very low	100 Å²	100	144.5 Å²	144.5	65%	0.649	79%	0.785	S	S	*	*			cis	-140.3	-166.1	-0.4	44	-24.4	0	0	0	116
154	Q	36	Very low	37.9	Very low	176 Å²	176	145.1 Å²	145.1	82%	0.822	78%	0.783	S	S	*	*			trans	68.6	155.5	153.4	-81.9	168.6	-10.2	0	0	119.6
155	D	37.1	Very low	37.1	Very low	139 Å²	139	149.3 Å²	149.3	74%	0.743	79%	0.794	S	S	*	*			cis	-163.2	-178.7	-20.7	-150.7	-24.1	0	0	0	110.5
156	E	35.2	Very low	38.2	Very low	189 Å²	189	146.5 Å²	146.5	88%	0.883	79%	0.79	S	S	*	*			trans	68.2	144.7	173.2	-50.9	-165.5	133.1	0	0	117.7
157	G	35.3	Very low	38	Very low	73 Å²	73	149.9 Å²	149.9	75%	0.753	80%	0.795	S	S	*	*			cis	-173.3	-149.6	-1	0	0	0	0	0	109.3
158	V	36.7	Very low	38.1	Very low	123 Å²	123	149.9 Å²	149.9	75%	0.745	80%	0.795	S	S	*	*			cis	-161.6	143.9	-5	-176.7	0	0	0	0	110.5
159	Q	36.5	Very low	37.9	Very low	199 Å²	199	152.2 Å²	152.2	93%	0.93	81%	0.806	S	S	*	*			trans	67.5	135.5	158.2	-82	171.2	47.1	0	0	125.9
160	G	27.6	Very low	37.8	Very low	76 Å²	76	148.6 Å²	148.6	78%	0.784	80%	0.799	S	S	*	*			trans	164.5	129.7	162.9	0	0	0	0	0	115.2
161	R	35.7	Very low	38.7	Very low	248 Å²	248	150.2 Å²	150.2	94%	0.936	80%	0.797	S	S	*	*			trans	-161.8	170.5	179.8	-108	-171.2	-179.5	-167.4	1.9	109.8
162	P	55.3	Low	38.9	Very low	106 Å²	106	146.9 Å²	146.9	69%	0.688	78%	0.781	S	S	*	*			cis	-149.7	-174.7	27.6	44.2	-23.1	0	0	0	119.7
163	Q	36.8	Very low	39	Very low	160 Å²	160	148.5 Å²	148.5	75%	0.748	78%	0.779	S	S	*	*			trans	93.4	130.3	139.3	-93.4	-166.3	17.7	0	0	126.7
164	Q	35.6	Very low	37.8	Very low	174 Å²	174	148.4 Å²	148.4	81%	0.813	79%	0.787	S	S	*	*			trans	91	165.8	143.8	-68	-164.1	68.6	0	0	123.7
165	Q	39.9	Very low	37.6	Very low	182 Å²	182	148.9 Å²	148.9	85%	0.85	78%	0.782	S	S	*	*			trans	-143.4	-165.8	-150.5	-112.3	-172.2	26.8	0	0	109.9
166	P	58.6	Low	37.5	Very low	97 Å²	97	151.9 Å²	151.9	63%	0.63	78%	0.783	S	S	*	*			cis	-146.8	-170	15.7	45.7	-25.1	0	0	0	118.9
167	R	32.6	Very low	37.2	Very low	247 Å²	247	150.2 Å²	150.2	93%	0.932	78%	0.776	S	S	*	*			trans	73	145.2	160.5	-68.3	177.5	172.8	179.8	-3.1	119.8
168	G	33.1	Very low	37.1	Very low	70 Å²	70	157.4 Å²	157.4	72%	0.722	78%	0.78	S	S	*	*			cis	162.4	147.3	-17.4	0	0	0	0	0	118.4
169	Q	32.7	Very low	36.9	Very low	208 Å²	208	157.2 Å²	157.2	97%	0.972	78%	0.784	S	S	*	*			trans	91.3	157.1	156.2	-60.6	-170.6	-3.7	0	0	123
170	E	33	Very low	36.6	Very low	155 Å²	155	151.6 Å²	151.6	72%	0.724	78%	0.78	S	S	*	*			trans	-123	-148.8	-168.9	-149.6	-133.4	119.2	0	0	107.1	S172	E170-S172 PolarHBondContact OE1-N 3.37Å; E170-S172 PolarHBondContact OE1-OG 3.01Å
171	P	51.5	Low	36.8	Very low	104 Å²	104	153.9 Å²	153.9	68%	0.675	78%	0.784	S	S	*	*			cis	-142.2	164.1	-1.4	45.8	-26.7	0	0	0	121
172	S	37.9	Very low	36.6	Very low	80 Å²	80	145.2 Å²	145.2	56%	0.559	77%	0.772	S	S	*	*			trans	45.1	173.5	134.4	-69.9	0	0	0	0	122.8	E170	E170-S172 PolarHBondContact OE1-N 3.37Å; E170-S172 PolarHBondContact OE1-OG 3.01Å
173	R	35.4	Very low	35.5	Very low	212 Å²	212	149.8 Å²	149.8	80%	0.8	78%	0.784	S	S	*	*			cis	-175.9	150.6	-26.1	-97.5	172.5	172.1	-172.4	0.1	108.2
174	A	30.9	Very low	35.4	Very low	99 Å²	99	150.8 Å²	150.8	82%	0.818	79%	0.789	S	S	*	*			trans	-179.6	174.5	147.8	0	0	0	0	0	113.1
175	Y	32.2	Very low	36.3	Very low	185 Å²	185	146.9 Å²	146.9	73%	0.725	78%	0.778	S	S	*	*				-160.6	142.2	-88.3	-133.3	-88.1	0	0	0	111.5
176	R	34.1	Very low	36.1	Very low	202 Å²	202	145.9 Å²	145.9	76%	0.762	77%	0.773	S	S	*	*			trans	63.5	167.3	168.4	-83	157.3	177.4	-128.4	14.1	116.7
177	E	30.6	Very low	34.8	Very low	154 Å²	154	152 Å²	152	72%	0.72	78%	0.784	S	S	*	*			cis	-141.2	-173.2	3.3	-148.5	134	-120.4	0	0	115.1
178	R	32.7	Very low	35.3	Very low	225 Å²	225	145.6 Å²	145.6	85%	0.849	77%	0.768	S	S	*	*			trans	-94.4	154.6	-165.9	-103.2	177.6	163.6	-164.4	-3.7	115.4
179	S	32.7	Very low	36.3	Very low	118 Å²	118	147.7 Å²	147.7	83%	0.825	77%	0.769	S	S	*	*			trans	48.3	128.4	135.1	-52.4	0	0	0	0	122.1
180	G	29.6	Very low	36.4	Very low	82 Å²	82	147.6 Å²	147.6	85%	0.845	76%	0.76	S	S	*	*			trans	171.1	128.4	157	0	0	0	0	0	117.3
181	S	32.1	Very low	36.4	Very low	123 Å²	123	147.9 Å²	147.9	86%	0.86	77%	0.766	S	S	*	*			trans	-65.4	127.3	-178.6	47.4	0	0	0	0	118.1
182	G	32.1	Very low	35.4	Very low	67 Å²	67	151.9 Å²	151.9	69%	0.691	78%	0.776	S	S	*	*				54.3	125.9	124.6	0	0	0	0	0	123.5
183	Q	31.3	Very low	35.5	Very low	201 Å²	201	154.2 Å²	154.2	94%	0.939	79%	0.787	S	S	*	*			trans	-162.2	161.5	148.5	-115.5	158	97.2	0	0	113
184	Q	35.2	Very low	36.2	Very low	182 Å²	182	150 Å²	150	85%	0.85	79%	0.786	S	S	*	*			trans	-107.7	-179.9	172.7	-89	-170.9	-6.6	0	0	109.2
185	P	54.3	Low	36.3	Very low	92 Å²	92	151 Å²	151	60%	0.597	78%	0.783	S	S	*	*			cis	-146.8	-178.5	19.2	45	-25.3	0	0	0	119.1
186	H	35.7	Very low	36.5	Very low	161 Å²	161	150.5 Å²	150.5	75%	0.745	79%	0.787	S	S	*	*			trans	67.1	150.5	154.6	-64.6	-31.8	0	0	0	119.7
187	R	31.6	Very low	36.3	Very low	225 Å²	225	146.9 Å²	146.9	85%	0.849	79%	0.788	S	S	*	*			cis	-149.4	163.5	-1.6	-127.4	173.9	-168.7	-170.4	2.8	112.2
188	D	42	Very low	36.4	Very low	112 Å²	112	147 Å²	147	60%	0.599	79%	0.788	S	S	*	*			trans	-74.8	169.3	-177.4	-148.7	14.2	0	0	0	112.4	R190	D188-R190 PolarHBondContact OD1-N 3.47Å; D188-R190 VanDerWaalsContact OD2-CG 3.25Å; D188-R190 WeakPolarHBondContact OD2-CG 3.37Å; D188-R190 IonicContact OD2-NE 3.4Å; D188-R190 PolarHBondContact OD2-NE 3.49Å
189	P	54.7	Low	36.3	Very low	115 Å²	115	143.8 Å²	143.8	75%	0.747	79%	0.785	S	S	*	*				-139.4	125.1	50.7	33.3	-10	0	0	0	120
190	R	34.8	Very low	36.2	Very low	206 Å²	206	145.6 Å²	145.6	78%	0.777	78%	0.784	S	S	*	*				58	125	125.1	-55	175.6	-173.1	-175.6	-3.3	123	D188	D188-R190 PolarHBondContact OD1-N 3.47Å; D188-R190 VanDerWaalsContact OD2-CG 3.25Å; D188-R190 WeakPolarHBondContact OD2-CG 3.37Å; D188-R190 IonicContact OD2-NE 3.4Å; D188-R190 PolarHBondContact OD2-NE 3.49Å
191	N	32.4	Very low	36.3	Very low	161 Å²	161	149.6 Å²	149.6	86%	0.861	78%	0.78	S	S	*	*				-158.7	143.2	105.4	-127.5	-6	0	0	0	111.7
192	Q	30.8	Very low	36.1	Very low	187 Å²	187	148.2 Å²	148.2	87%	0.874	77%	0.77	S	S	*	*			trans	-150.1	160.5	177.6	-76.1	-165.5	7.5	0	0	113.3
193	V	41.1	Very low	36	Very low	130 Å²	130	153 Å²	153	79%	0.788	78%	0.779	S	S	*	*			trans	-77.8	165.2	170	-150.1	0	0	0	0	110.6
194	P	49	Very low	35.9	Very low	122 Å²	122	150.4 Å²	150.4	79%	0.792	77%	0.772	S	S	*	*				-150.2	-167.1	116.2	39.4	-21.6	0	0	0	115.9
195	T	34.3	Very low	35.7	Very low	122 Å²	122	148.3 Å²	148.3	75%	0.748	77%	0.771	S	S	*	*			trans	-99.1	171.4	-163	4.2	0	0	0	0	117
196	E	35.9	Very low	34.5	Very low	174 Å²	174	149.3 Å²	149.3	81%	0.813	78%	0.776	S	S	*	*			trans	14.5	142.5	152.3	-63.1	174.7	113.6	0	0	122.5
197	T	30.3	Very low	34.2	Very low	125 Å²	125	149.4 Å²	149.4	77%	0.767	78%	0.782	S	S	*	*				170.9	125.9	118.1	-76.2	0	0	0	0	115.7
198	Q	31.5	Very low	34.1	Very low	158 Å²	158	147.1 Å²	147.1	74%	0.738	78%	0.78	S	S	*	*			trans	44.5	132.3	148	-65.9	179	12.7	0	0	126.7
199	M	31.3	Very low	33.5	Very low	156 Å²	156	145.1 Å²	145.1	77%	0.768	79%	0.787	S	S	*	*			trans	52.3	136	136.8	-55	-174.3	-160.1	0	0	123.8
200	I	30.5	Very low	32.3	Very low	157 Å²	157	151.1 Å²	151.1	81%	0.805	79%	0.794	S	S	*	*				172.7	133.2	101.5	-87.7	-174.1	0	0	0	113.7
201	H	30.8	Very low	32.2	Very low	166 Å²	166	147.2 Å²	147.2	77%	0.769	79%	0.794	S	S	*	*			trans	42.1	134.8	156	-90.3	-75.6	0	0	0	127.8
202	S	29.2	Very low	32.5	Very low	94 Å²	94	147 Å²	147	66%	0.657	79%	0.792	S	S	*	*			trans	70.8	145.1	137.6	-58.8	0	0	0	0	119.3
203	L	29.7	Very low	33.5	Very low	166 Å²	166	143.7 Å²	143.7	87%	0.869	79%	0.787	S	S	*	*			cis	-140.4	173.3	32.8	-84.6	168.9	0	0	0	114.7
204	N	28.2	Very low	33.3	Very low	148 Å²	148	144.8 Å²	144.8	79%	0.791	79%	0.788	S	S	*	*			trans	-71.8	159	170.2	-61.9	-37.3	0	0	0	112.9
205	V	31.4	Very low	32.5	Very low	138 Å²	138	145.6 Å²	145.6	84%	0.836	79%	0.786	S	S	*	*				-177.5	148.7	109.5	148.8	0	0	0	0	111.4
206	T	29	Very low	32.4	Very low	113 Å²	113	147 Å²	147	69%	0.693	78%	0.784	S	S	*	*			trans	-63.2	155.5	-178.3	51.2	0	0	0	0	115.6
207	N	30.6	Very low	32.1	Very low	163 Å²	163	145.4 Å²	145.4	87%	0.872	79%	0.786	S	S	*	*				-146.3	151.8	115.7	-142	-11.7	0	0	0	112.9
208	Q	29.5	Very low	32.1	Very low	176 Å²	176	145.3 Å²	145.3	82%	0.822	78%	0.78	S	S	*	*			trans	-129.7	136.8	-176.8	-73.1	-176.2	-8.2	0	0	112.7
209	G	28.5	Very low	32.1	Very low	71 Å²	71	148.3 Å²	148.3	73%	0.732	78%	0.784	S	S	*	*				91.7	172.6	128.6	0	0	0	0	0	120
210	R	30.5	Very low	31.9	Very low	241 Å²	241	152.2 Å²	152.2	91%	0.909	79%	0.79	S	S	*	*			trans	75.1	142	173.7	-54.2	-173.8	179.7	-170.4	-0.7	115.7
211	T	31.7	Very low	31.9	Very low	124 Å²	124	149.9 Å²	149.9	76%	0.761	78%	0.78	S	S	*	*			cis	-166.5	147	-11.9	17.7	0	0	0	0	109
212	D	39.4	Very low	31.9	Very low	156 Å²	156	150.6 Å²	150.6	83%	0.834	78%	0.783	S	S	*	*			trans	-70.9	152.3	155.6	-65.3	-63.4	0	0	0	110.4
213	P	50.4	Low	32	Very low	118 Å²	118	151.3 Å²	151.3	77%	0.766	80%	0.795	S	S	*	*				-148.8	-178.7	88.3	40.7	-23	0	0	0	116
214	D	38.1	Very low	31.9	Very low	152 Å²	152	146.7 Å²	146.7	81%	0.813	79%	0.787	S	S	*	*			trans	-61.2	159.3	175.2	-47.9	-97.5	0	0	0	115.4
215	D	32.3	Very low	32.2	Very low	140 Å²	140	147 Å²	147	75%	0.749	79%	0.789	S	S	*	*				-176.3	-177.8	94.5	-151.6	-3.4	0	0	0	113.5
216	Q	32.2	Very low	32.2	Very low	151 Å²	151	148.6 Å²	148.6	71%	0.706	79%	0.787	S	S	*	*			trans	-106.7	145.4	-162.4	-51.7	145.6	71.3	0	0	115.7
217	V	29.7	Very low	32.3	Very low	141 Å²	141	151.6 Å²	151.6	86%	0.855	79%	0.786	S	S	*	*			trans	-157	134	145.7	-175.6	0	0	0	0	106.9
218	I	30.2	Very low	32.9	Very low	123 Å²	123	149.7 Å²	149.7	63%	0.631	78%	0.782	S	S	*	*			cis	127.1	131.7	4.7	-79.5	178	0	0	0	111.7
219	R	31.3	Very low	33.4	Very low	221 Å²	221	148.5 Å²	148.5	83%	0.834	77%	0.774	S	S	*	*			trans	77.9	114.2	162	-85	170	-177.9	164.3	2.2	123.1
220	R	27.2	Very low	33.6	Very low	237 Å²	237	148.8 Å²	148.8	89%	0.894	77%	0.765	S	S	*	*				171.7	165.7	105.7	-94.7	-173.2	165	150.6	-2.3	110.2
221	D	30	Very low	33.9	Very low	109 Å²	109	142.3 Å²	142.3	58%	0.583	76%	0.756	S	S	*	*			cis	-168.7	121.6	-49.5	-114.4	-49.9	0	0	0	109
222	Q	31.2	Very low	33.9	Very low	180 Å²	180	145.7 Å²	145.7	84%	0.841	76%	0.757	S	S	*	*			trans	50.3	153.3	151.8	-57.4	-175.4	47.4	0	0	125.2
223	A	30.3	Very low	33.7	Very low	110 Å²	110	143.8 Å²	143.8	91%	0.909	75%	0.751	S	S	*	*			trans	67.6	154.3	169.1	0	0	0	0	0	117.9
224	G	28.8	Very low	33	Very low	68 Å²	68	142.4 Å²	142.4	70%	0.701	75%	0.749	S	S	*	*			cis	-177.1	179.3	-3.7	0	0	0	0	0	112.4
225	D	32.8	Very low	32.8	Very low	155 Å²	155	145.3 Å²	145.3	83%	0.829	75%	0.748	S	S	*	*			trans	61.8	176.5	167.7	-70.6	-15.2	0	0	0	121.5
226	H	32.4	Very low	32.9	Very low	171 Å²	171	144.9 Å²	144.9	79%	0.792	75%	0.746	S	S	*	*				-164.3	108.4	-75.2	-115.1	44.4	0	0	0	115.6
227	R	30.9	Very low	32.8	Very low	177 Å²	177	140.5 Å²	140.5	67%	0.668	74%	0.742	S	S	*	*			trans	61.4	-172.7	147.8	-115.7	-172.8	160.5	140.2	3.4	118.8	K229	R227-K229 HydrophobicContact CG-CB 4.33Å
228	P	43.4	Very low	33	Very low	122 Å²	122	139.7 Å²	139.7	79%	0.792	74%	0.742	S	S	*	*			cis	-90	168.3	7.3	37	-33	0	0	0	115
229	K	39.1	Very low	33.8	Very low	152 Å²	152	139 Å²	139	66%	0.661	75%	0.746	S	S	*	*			cis	97.7	139	19.8	-148.8	168.4	-168.7	-179.2	0	114	R227	R227-K229 HydrophobicContact CG-CB 4.33Å
230	S	33.9	Very low	34	Very low	76 Å²	76	135.5 Å²	135.5	53%	0.531	75%	0.749	S	S	.	*			cis	-103.1	-132.9	0.2	-155.4	0	0	0	0	111
231	S	36.2	Very low	34.6	Very low	105 Å²	105	129.3 Å²	129.3	73%	0.734	74%	0.742	S	S	*	*			cis	-167.1	153.9	-22.4	26.2	0	0	0	0	107
232	Y	31.7	Very low	35.3	Very low	195 Å²	195	130.4 Å²	130.4	77%	0.765	76%	0.755	S	S	*	*			cis	-153.7	144.8	-9.1	-128.3	-143.4	0	0	0	107.2
233	V	35.3	Very low	35.6	Very low	117 Å²	117	132.4 Å²	132.4	71%	0.709	76%	0.755	S	S	*	*				48.4	124.5	103.5	-174.2	0	0	0	0	115.2
234	A	35.2	Very low	36	Very low	88 Å²	88	133 Å²	133	73%	0.727	74%	0.743	S	S	*	*			cis	-169.1	-157.6	-18.1	0	0	0	0	0	105.5
235	R	35.7	Very low	36.3	Very low	214 Å²	214	139.9 Å²	139.9	81%	0.808	75%	0.753	S	S	*	*			cis	-168.6	152.9	-5.8	-151.1	-172	156.2	155.1	0.3	105.6
236	D	33.1	Very low	36.4	Very low	131 Å²	131	142.3 Å²	142.3	70%	0.701	75%	0.751	S	S	*	*			cis	-138.5	-169.3	-12.7	-120.1	-1	0	0	0	105.1
237	G	29.6	Very low	37.2	Very low	59 Å²	59	140 Å²	140	61%	0.608	75%	0.751	S	S	*	*			cis	175.5	-167.4	6.6	0	0	0	0	0	109.2
238	S	34	Very low	37.6	Very low	123 Å²	123	138.2 Å²	138.2	86%	0.86	75%	0.754	S	S	*	*			trans	-163.2	158.5	179.5	-67.6	0	0	0	0	110.2
239	P	47.9	Very low	37.2	Very low	110 Å²	110	138.5 Å²	138.5	71%	0.714	76%	0.759	S	S	*	*				-162.2	168.8	83	41.9	-20.1	0	0	0	120.3
240	T	35	Very low	36.7	Very low	146 Å²	146	134.6 Å²	134.6	90%	0.896	76%	0.762	S	S	*	*			trans	70.8	171.4	146.3	46.3	0	0	0	0	122.7
241	S	39.7	Very low	37.6	Very low	108 Å²	108	136.5 Å²	136.5	76%	0.755	77%	0.773	S	S	*	*			trans	-140.3	156.1	-162.7	164.9	0	0	0	0	112.4
242	P	45.1	Very low	37.5	Very low	132 Å²	132	138 Å²	138	86%	0.857	77%	0.773	S	S	*	*			trans	-136	-168	153.3	39.4	-24.3	0	0	0	115.3
243	R	36.7	Very low	37.6	Very low	222 Å²	222	135.1 Å²	135.1	84%	0.838	77%	0.769	S	S	*	*			trans	-130.3	163.1	-153.1	-141.2	-176.3	-179.8	163.3	1.4	113.8
244	D	39.8	Very low	37.1	Very low	123 Å²	123	140.8 Å²	140.8	66%	0.658	78%	0.777	S	S	*	*			trans	60	131.1	155.8	-52.5	-41.6	0	0	0	122.4
245	K	34.1	Very low	37	Very low	211 Å²	211	142.8 Å²	142.8	92%	0.917	78%	0.781	S	S	*	*				173.5	168.4	102.6	-90.7	179.7	-172.8	177.6	0	114.4
246	R	35.8	Very low	37.8	Very low	206 Å²	206	137.5 Å²	137.5	78%	0.777	77%	0.774	S	S	*	*			trans	-125.3	160	-178.8	-166	-154.1	-68.7	179	-2.3	110
247	P	49.9	Very low	37.5	Very low	123 Å²	123	138.6 Å²	138.6	80%	0.799	78%	0.78	S	S	*	*			trans	-139.6	-174.8	134	35.6	-20.3	0	0	0	115.3
248	L	39.4	Very low	37.7	Very low	140 Å²	140	143.4 Å²	143.4	73%	0.733	79%	0.791	S	S	*	*			trans	-131.2	159.6	-173.6	-68.5	138.1	0	0	0	111.2
249	S	34.1	Very low	38	Very low	128 Å²	128	143.2 Å²	143.2	90%	0.895	79%	0.787	S	S	*	*			trans	171.6	162.7	138.2	-80	0	0	0	0	114.6
250	G	28.4	Very low	37.2	Very low	70 Å²	70	144.2 Å²	144.2	72%	0.722	79%	0.791	S	S	*	*			trans	-119.8	-146.7	165	0	0	0	0	0	110.6
251	P	53.9	Low	36.8	Very low	116 Å²	116	143.1 Å²	143.1	75%	0.753	79%	0.789	S	S	*	*			cis	-144.5	-171.9	-1.5	42.2	-21.8	0	0	0	116.9
252	N	33.2	Very low	36.3	Very low	137 Å²	137	147.8 Å²	147.8	73%	0.733	80%	0.799	S	S	*	*			trans	81.6	127.5	141.2	-83.4	-13.9	0	0	0	126.9
253	I	32.9	Very low	35.4	Very low	133 Å²	133	145 Å²	145	68%	0.682	79%	0.794	S	S	*	*				97.9	124.1	124	-76.1	171.9	0	0	0	124.4
254	R	26.5	Very low	34.9	Very low	237 Å²	237	140.4 Å²	140.4	89%	0.894	79%	0.791	S	S	*	*			trans	74.1	141.7	149.6	-84.4	172.3	-172.2	-174	1.6	125.5
255	T	33	Very low	34.4	Very low	129 Å²	129	142.6 Å²	142.6	79%	0.791	80%	0.799	S	S	*	*			trans	-96	-170.4	162.8	49.9	0	0	0	0	109.6
256	P	51.5	Low	34.1	Very low	103 Å²	103	142.3 Å²	142.3	67%	0.669	80%	0.798	S	S	*	*			cis	-146.6	-178	12.2	40.6	-18	0	0	0	118.3
257	N	27.2	Very low	33.8	Very low	154 Å²	154	139.8 Å²	139.8	82%	0.824	81%	0.805	S	S	*	*				168.8	164.2	121.4	-91	-23.1	0	0	0	116.1
258	L	33.6	Very low	32.8	Very low	160 Å²	160	138.2 Å²	138.2	84%	0.838	80%	0.803	S	S	*	*			trans	-132.9	157.8	175.8	-78.1	164.9	0	0	0	109.9
259	P	41.1	Very low	32.4	Very low	119 Å²	119	140.4 Å²	140.4	77%	0.773	81%	0.809	S	S	*	*				-137.3	145.2	106.1	17.5	4.2	0	0	0	112.7
260	V	29.6	Very low	32.2	Very low	132 Å²	132	143.9 Å²	143.9	80%	0.8	81%	0.811	S	S	*	*				73.2	115.5	66.5	178.9	0	0	0	0	114.8
261	S	28.4	Very low	32.2	Very low	123 Å²	123	148.1 Å²	148.1	86%	0.86	82%	0.817	S	S	*	*			trans	-173.6	152.5	144.3	-79.3	0	0	0	0	111.4
262	E	28.1	Very low	31.1	Very low	205 Å²	205	149.4 Å²	149.4	96%	0.958	82%	0.823	S	S	*	*			trans	-105.8	162.5	177.3	-59.2	-177.9	116.4	0	0	111.9
263	G	26.5	Very low	31.1	Very low	74 Å²	74	153.3 Å²	153.3	76%	0.763	83%	0.828	S	S	*	*			trans	179.2	55.7	-176	0	0	0	0	0	120.7
264	V	27	Very low	31.2	Very low	126 Å²	126	153 Å²	153	76%	0.764	84%	0.835	S	S	*	*			trans	20	118.7	143.9	-174.1	0	0	0	0	120.9
265	M	28.8	Very low	31.3	Very low	169 Å²	169	149.5 Å²	149.5	83%	0.833	83%	0.826	S	S	*	*			trans	54.3	114.1	149.8	-60.4	176.6	-167.9	0	0	122.7
266	K	28	Very low	31.1	Very low	205 Å²	205	150.1 Å²	150.1	89%	0.891	83%	0.825	S	S	*	*				174.3	139.4	101.1	-97	170.4	-176	171.6	0	112.1
267	T	27.9	Very low	29.9	Very low	153 Å²	153	150.5 Å²	150.5	94%	0.939	83%	0.825	S	S	*	*			trans	-134.5	114	171.2	-47.1	0	0	0	0	111.1
268	A	29.6	Very low	30	Very low	90 Å²	90	153.8 Å²	153.8	74%	0.744	83%	0.828	S	S	*	*			trans	-163.2	140.9	172.3	0	0	0	0	0	106.8
269	Q	30.8	Very low	30	Very low	185 Å²	185	151.8 Å²	151.8	86%	0.864	82%	0.824	S	S	*	*			cis	-156.2	143.5	-1.5	-110.4	172.6	4.2	0	0	107.4
270	Q	30.1	Very low	29.5	Very low	201 Å²	201	156.9 Å²	156.9	94%	0.939	83%	0.828	S	S	*	*			trans	-167.8	144.6	136.7	-109	167.8	25.2	0	0	111.3
271	N	29.2	Very low	29.6	Very low	159 Å²	159	157.4 Å²	157.4	85%	0.85	83%	0.832	S	S	*	*			trans	-86.8	146.1	-179.1	-82.5	-44.6	0	0	0	111.6
272	T	29.8	Very low	29.6	Very low	144 Å²	144	158.3 Å²	158.3	88%	0.883	83%	0.827	S	S	*	*				-166.2	151.2	120.6	13.2	0	0	0	0	111.4
273	R	33.5	Very low	29.8	Very low	218 Å²	218	154.5 Å²	154.5	82%	0.823	82%	0.823	S	S	*	*			trans	-108.8	148.5	176.1	-59.2	176.4	-179.8	176.2	-0.9	109.9
274	P	34.9	Very low	29.9	Very low	128 Å²	128	159.2 Å²	159.2	83%	0.831	83%	0.831	S	S	*	*			trans	-99.4	127.1	155	32.8	-25.8	0	0	0	111.6
275	F	28.9	Very low	30.1	Very low	162 Å²	162	156.6 Å²	156.6	71%	0.711	83%	0.829	S	S	*	*			trans	-79	176	156.1	-102.1	-102.1	0	0	0	108
276	N	28	Very low	30.1	Very low	142 Å²	142	152.5 Å²	152.5	76%	0.759	83%	0.83	S	S	*	*			cis	-160.8	169.4	41.1	-148.9	-3.5	0	0	0	115.2
277	T	27.6	Very low	30.1	Very low	112 Å²	112	154.9 Å²	154.9	69%	0.687	83%	0.833	S	S	*	*			trans	-119.3	155.1	179.2	-48.3	0	0	0	0	109.2
278	Y	29.6	Very low	30	Very low	222 Å²	222	152.8 Å²	152.8	87%	0.871	83%	0.825	S	S	*	*			trans	-87.5	148.7	172.7	-77.3	-76.1	0	0	0	112.5
279	P	33.7	Very low	31.4	Very low	118 Å²	118	153.7 Å²	153.7	77%	0.766	82%	0.824	S	S	*	*			trans	-86.9	167.4	-157.1	34.3	-38.1	0	0	0	115.2
280	R	28.9	Very low	31.3	Very low	226 Å²	226	151.8 Å²	151.8	85%	0.853	83%	0.825	S	S	*	*			trans	-108.1	158.6	159.5	-74.2	-177.4	171.7	-177.2	-3.1	110
281	T	31.6	Very low	31.1	Very low	143 Å²	143	146.2 Å²	146.2	88%	0.877	82%	0.821	S	S	*	*			trans	-98.7	117.6	165.9	50.2	0	0	0	0	109.1
282	D	30.2	Very low	31	Very low	142 Å²	142	147.4 Å²	147.4	76%	0.759	82%	0.821	S	S	*	*			trans	-101.2	165.8	171.9	-69.9	-49.3	0	0	0	111
283	S	31.7	Very low	30.9	Very low	126 Å²	126	146.6 Å²	146.6	88%	0.881	82%	0.816	S	S	*	*			trans	-150.9	138.4	166.3	-65.6	0	0	0	0	108.8
284	D	28.7	Very low	30.7	Very low	173 Å²	173	141.6 Å²	141.6	93%	0.925	81%	0.809	S	S	*	*			trans	-64.9	164.4	-174.1	-76.3	-64.7	0	0	0	114.5
285	G	30.1	Very low	30.3	Very low	70 Å²	70	146.1 Å²	146.1	72%	0.722	81%	0.81	S	S	*	*			cis	142.1	119.5	-4	0	0	0	0	0	113.6
286	G	28.4	Very low	30.4	Very low	83 Å²	83	145.9 Å²	145.9	86%	0.856	81%	0.811	S	S	*	*			trans	94	160	178.2	0	0	0	0	0	114.9
287	R	28.4	Very low	30.5	Very low	255 Å²	255	146.2 Å²	146.2	96%	0.962	81%	0.807	S	S	*	*			cis	-157.5	146.8	-3	-156.1	178.8	-168.5	-178.5	3.3	109.5
288	S	26.4	Very low	30.4	Very low	110 Å²	110	148.5 Å²	148.5	77%	0.769	81%	0.81	S	S	*	*			trans	-88.5	-177.5	-179.9	-20.7	0	0	0	0	112.5
289	P	58.4	Low	30.3	Very low	109 Å²	109	142.6 Å²	142.6	71%	0.708	80%	0.802	S	S	*	*			cis	-137.4	-155.5	-11.5	35.3	-11.6	0	0	0	113.3
290	T	28.8	Very low	30	Very low	145 Å²	145	141.9 Å²	141.9	89%	0.89	80%	0.799	S	S	*	*			trans	87.5	154.6	165.7	75.8	0	0	0	0	118.6
291	G	27.2	Very low	31.3	Very low	83 Å²	83	136.2 Å²	136.2	86%	0.856	79%	0.792	S	S	*	*			trans	130.6	118	175.5	0	0	0	0	0	113.9
292	Q	26.7	Very low	31.5	Very low	184 Å²	184	137.1 Å²	137.1	86%	0.86	79%	0.786	S	S	*	*			trans	-124.9	173.8	171.2	-161.9	-179	30.7	0	0	107.7
293	V	27.6	Very low	31.6	Very low	128 Å²	128	137.3 Å²	137.3	78%	0.776	79%	0.787	S	S	*	*			trans	74.9	147.7	173.7	-171.7	0	0	0	0	113.6
294	V	27.9	Very low	31.3	Very low	112 Å²	112	134.5 Å²	134.5	68%	0.679	78%	0.778	S	S	*	*			cis	172.8	154.7	-39.6	134.4	0	0	0	0	106.4
295	R	27.5	Very low	32.5	Very low	224 Å²	224	131.9 Å²	131.9	85%	0.845	77%	0.77	S	S	*	*			trans	71.1	162.1	173.4	-74.7	165	-169	-163	3.1	117.6
296	H	30.4	Very low	32.7	Very low	156 Å²	156	134 Å²	134	72%	0.722	77%	0.774	S	S	*	*			cis	175.3	161.2	-40.2	-120.9	-91.8	0	0	0	108.6
297	H	30.8	Very low	33	Very low	149 Å²	149	135.3 Å²	135.3	69%	0.69	77%	0.77	S	S	*	*			trans	65.4	154	168.3	-67.2	-79.1	0	0	0	115.7
298	E	26	Very low	33.1	Very low	161 Å²	161	128 Å²	128	75%	0.752	76%	0.758	S	S	*	*			cis	-155.6	-161.9	-19.8	-125.8	-172.9	71.1	0	0	109.7
299	S	26.8	Very low	33.4	Very low	98 Å²	98	128.1 Å²	128.1	69%	0.685	76%	0.759	S	S	*	*			cis	-151.2	-168.7	18.7	65.9	0	0	0	0	114
300	S	28.5	Very low	32.2	Very low	102 Å²	102	127.5 Å²	127.5	71%	0.713	76%	0.763	S	S	*	*			trans	-125.7	-164.9	163.7	-55.9	0	0	0	0	108.4
301	P	54.7	Low	32.4	Very low	107 Å²	107	132.9 Å²	132.9	70%	0.695	77%	0.767	S	S	*	*			cis	-143.8	-161.6	-2.7	42.9	-21.6	0	0	0	116.1
302	Q	35.9	Very low	32.6	Very low	163 Å²	163	132.1 Å²	132.1	76%	0.762	76%	0.759	S	S	*	*			trans	78.4	152.3	155.7	-76.7	178.9	27.9	0	0	119.4
303	N	31.8	Very low	32.9	Very low	146 Å²	146	129.5 Å²	129.5	78%	0.781	76%	0.761	S	S	*	*			cis	-146.3	175.9	8.9	-118	-29.6	0	0	0	114.7
304	G	26.3	Very low	33.1	Very low	67 Å²	67	129.3 Å²	129.3	69%	0.691	77%	0.765	S	S	*	*			trans	-89	-142.1	-175.1	0	0	0	0	0	117
305	P	54.9	Low	33.5	Very low	118 Å²	118	133.7 Å²	133.7	77%	0.766	78%	0.775	S	S	*	*			cis	-148.6	174.2	15	43.2	-22.7	0	0	0	120.4
306	S	33.3	Very low	35	Very low	114 Å²	114	128.3 Å²	128.3	80%	0.797	77%	0.77	S	S	*	*			trans	61	149.8	147.8	57.5	0	0	0	0	122.3
307	S	34.8	Very low	36.5	Very low	111 Å²	111	126.4 Å²	126.4	78%	0.776	77%	0.771	S	S	*	*			cis	-165.8	-161.3	-4.9	64	0	0	0	0	109.5
308	S	31	Very low	36.6	Very low	101 Å²	101	125.9 Å²	125.9	71%	0.706	78%	0.778	S	S	*	*			cis	-164.4	157.4	-0.7	42.2	0	0	0	0	114.4
309	S	31.9	Very low	36.8	Very low	112 Å²	112	121.5 Å²	121.5	78%	0.783	78%	0.776	S	S	*	*			trans	41	111.8	142.6	-55.6	0	0	0	0	128.7
310	A	33.7	Very low	38.4	Very low	97 Å²	97	122.8 Å²	122.8	80%	0.802	78%	0.782	S	S	*	*				93.3	149.2	110.4	0	0	0	0	0	126.9
311	R	32.8	Very low	39.5	Very low	258 Å²	258	123.9 Å²	123.9	97%	0.974	79%	0.787	S	S	*	*			trans	79.3	141.2	167.4	-60	-176.2	173.5	-165.4	-2.3	119.2
312	G	31.1	Very low	38.5	Very low	67 Å²	67	127.7 Å²	127.7	69%	0.691	80%	0.795	S	S	*	*			cis	168.9	165.3	-11.2	0	0	0	0	0	116.3
313	S	34.2	Very low	38.3	Very low	129 Å²	129	125.2 Å²	125.2	90%	0.902	80%	0.796	S	S	*	*			trans	66.5	152.7	173.5	19.9	0	0	0	0	118.9
314	S	31.8	Very low	38.3	Very low	123 Å²	123	126.1 Å²	126.1	86%	0.86	80%	0.795	S	S	*	*			cis	-150.1	-166.2	-2.9	49.4	0	0	0	0	112.1
315	K	35.1	Very low	38.5	Very low	204 Å²	204	131.2 Å²	131.2	89%	0.887	80%	0.8	S	S	*	*			trans	-117.3	158.6	-160.3	-93.7	-173.4	171	-178.5	0	118.7
316	P	59.3	Low	37.3	Very low	112 Å²	112	130.1 Å²	130.1	73%	0.727	80%	0.801	S	S	*	*			trans	-92.7	-161.1	172.3	43.7	-40	0	0	0	112.1
317	P	61.4	Low	37.2	Very low	115 Å²	115	130.4 Å²	130.4	75%	0.747	80%	0.803	S	S	*	*			cis	-149.2	-155.9	14.9	40.5	-14.2	0	0	0	118.5
318	V	34	Very low	37	Very low	138 Å²	138	133.4 Å²	133.4	84%	0.836	81%	0.805	S	S	*	*			trans	119	121.1	151	-176.9	0	0	0	0	120.3
319	G	30.5	Very low	37.8	Very low	69 Å²	69	133.9 Å²	133.9	71%	0.711	81%	0.805	S	S	*	*				91.8	129	125.4	0	0	0	0	0	123.9
320	P	60.1	Low	37.6	Very low	125 Å²	125	133.6 Å²	133.6	81%	0.812	80%	0.803	S	S	*	*			trans	-108	169	167	41.4	-33.8	0	0	0	114.1
321	P	51.4	Low	37.4	Very low	126 Å²	126	136.1 Å²	136.1	82%	0.818	80%	0.802	S	S	*	*				-153.9	-161.2	98	41.1	-20.4	0	0	0	116.2
322	H	32.8	Very low	37.2	Very low	187 Å²	187	129.5 Å²	129.5	87%	0.866	79%	0.791	S	S	*	*			trans	-95.4	161.3	-169.3	-51.7	-104.9	0	0	0	116.5
323	S	31.9	Very low	38.2	Very low	111 Å²	111	131.9 Å²	131.9	78%	0.776	79%	0.794	S	S	*	*			trans	176.4	133.8	132.8	36.7	0	0	0	0	118.8
324	H	31.3	Very low	37.9	Very low	165 Å²	165	133.5 Å²	133.5	76%	0.764	79%	0.793	S	S	*	*			trans	46.5	129	135.5	-65.2	-72.8	0	0	0	129.2
325	H	31.1	Very low	37.9	Very low	173 Å²	173	132.5 Å²	132.5	80%	0.801	79%	0.786	S	S	*	*				91.6	134.7	127.4	-89.2	-62.5	0	0	0	127.2
326	A	29.7	Very low	37.7	Very low	95 Å²	95	127.8 Å²	127.8	79%	0.785	78%	0.779	S	S	*	*			trans	74.5	153.9	150.8	0	0	0	0	0	119.1
327	S	31.1	Very low	36.4	Very low	120 Å²	120	131.6 Å²	131.6	84%	0.839	79%	0.786	S	S	*	*			cis	-150.5	172.9	15.1	54.6	0	0	0	0	114.3
328	H	31.9	Very low	34.9	Very low	175 Å²	175	134 Å²	134	81%	0.81	79%	0.792	S	S	*	*			trans	-108.4	156.8	177.4	-98.7	-70.7	0	0	0	112.3
329	P	45.9	Very low	35.7	Very low	110 Å²	110	132.9 Å²	132.9	71%	0.714	79%	0.788	S	S	*	*				-113.2	-168	89.9	-10.2	30.8	0	0	0	112.1
330	S	27.8	Very low	36.6	Very low	106 Å²	106	135.5 Å²	135.5	74%	0.741	79%	0.792	S	S	*	*			cis	-171	171.3	-26.8	-102.9	0	0	0	0	106.1
331	L	29.4	Very low	35.4	Very low	150 Å²	150	134.4 Å²	134.4	79%	0.785	79%	0.794	S	S	*	*			cis	-148.8	-163.5	0.8	-131.6	173.1	0	0	0	108.7
332	T	29.6	Very low	34.4	Very low	119 Å²	119	133.5 Å²	133.5	73%	0.73	80%	0.797	S	S	*	*			trans	-147.6	-175.3	-176.2	67.9	0	0	0	0	110.9
333	P	51.2	Low	34.6	Very low	118 Å²	118	129.1 Å²	129.1	77%	0.766	79%	0.793	S	S	*	*			cis	-129.4	178.4	-20.1	39.4	-24.7	0	0	0	113.6
334	D	28.4	Very low	35.3	Very low	163 Å²	163	130.1 Å²	130.1	87%	0.872	80%	0.797	S	S	*	*				-158.3	174.5	123.7	-148.3	-12.6	0	0	0	111.3
335	S	31.6	Very low	35.3	Very low	102 Å²	102	125.5 Å²	125.5	71%	0.713	79%	0.794	S	S	*	*			trans	-142.7	144.5	-164.8	177.9	0	0	0	0	114.2
336	S	31.4	Very low	35.5	Very low	105 Å²	105	123.2 Å²	123.2	73%	0.734	80%	0.797	S	S	*	*			trans	-175.7	130	138.7	31.7	0	0	0	0	116.2
337	Q	33	Very low	35.6	Very low	191 Å²	191	122.6 Å²	122.6	89%	0.893	80%	0.8	S	S	*	*			trans	74	146.1	143.1	-65.9	176.2	-7	0	0	123
338	L	30.1	Very low	35.8	Very low	166 Å²	166	122.1 Å²	122.1	87%	0.869	80%	0.804	S	S	*	*			trans	-129.9	-171.2	177.6	-66.1	161.4	0	0	0	106.6
339	P	49.2	Very low	36.2	Very low	114 Å²	114	117.9 Å²	117.9	74%	0.74	80%	0.799	S	S	*	*			cis	-127.6	-142.6	-12.8	42.9	-23.7	0	0	0	109.3
340	P	49.6	Very low	36	Very low	124 Å²	124	118.8 Å²	118.8	81%	0.805	81%	0.805	S	S	*	*			cis	-118.3	-173.8	-34.1	28.8	-7.9	0	0	0	112.7
341	A	34.5	Very low	36.7	Very low	103 Å²	103	123 Å²	123	85%	0.851	81%	0.813	S	S	*	*			trans	-97.6	156.2	-178.7	0	0	0	0	0	114.7
342	A	32.1	Very low	37	Very low	106 Å²	106	119.4 Å²	119.4	88%	0.876	81%	0.812	S	S	*	*			trans	-149.8	145.6	157	0	0	0	0	0	110.9
343	A	36.9	Very low	37.5	Very low	95 Å²	95	125.4 Å²	125.4	79%	0.785	82%	0.821	S	S	*	*			trans	-133.6	176.2	172.7	0	0	0	0	0	107.6
344	P	45.1	Very low	36.8	Very low	133 Å²	133	124.9 Å²	124.9	86%	0.864	82%	0.82	S	S	*	*			cis	-129.7	-178.5	0.9	42.2	-26.9	0	0	0	114.2
345	G	31.8	Very low	37.7	Very low	67 Å²	67	122.9 Å²	122.9	69%	0.691	82%	0.816	S	S	*	*			trans	176.2	118.6	167	0	0	0	0	0	117.8
346	S	34.5	Very low	38.3	Very low	125 Å²	125	127 Å²	127	87%	0.874	82%	0.824	S	S	*	*			trans	42.6	104.4	150.9	58.9	0	0	0	0	121.7
347	G	33.6	Very low	38.9	Very low	83 Å²	83	132.5 Å²	132.5	86%	0.856	83%	0.829	S	S	*	*				58.3	88.2	124	0	0	0	0	0	120.2
348	A	35.5	Very low	39.2	Very low	110 Å²	110	131.3 Å²	131.3	91%	0.909	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-82.4	117.3	166	0	0	0	0	0	112
349	A	39.9	Very low	40.1	Very low	86 Å²	86	127.9 Å²	127.9	71%	0.711	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-82.2	149.6	167.9	0	0	0	0	0	111.1
350	P	42.1	Very low	40.3	Very low	128 Å²	128	129.4 Å²	129.4	83%	0.831	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-66.7	134.7	-179	27.2	-34.4	0	0	0	111.8	G352	P350-G352 PolarHBondContact O-N 2.89Å
351	Q	41.6	Very low	41.2	Very low	196 Å²	196	133.7 Å²	133.7	92%	0.916	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-67.6	128.7	-177.6	-66.7	178.5	-7.3	0	0	111.3
352	G	36.5	Very low	43.4	Very low	74 Å²	74	130.4 Å²	130.4	76%	0.763	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-69.5	140.6	-178	0	0	0	0	0	113.1	P350 S354	P350-G352 PolarHBondContact O-N 2.89Å; G352-S354 PolarHBondContact O-N 3.02Å
353	R	39	Very low	46.2	Very low	244 Å²	244	127.5 Å²	127.5	92%	0.921	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-55.3	131.8	168	-78.6	176.9	167.1	171	-4.7	109.9
354	S	37.5	Very low	48.8	Very low	108 Å²	108	125.3 Å²	125.3	76%	0.755	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-58.5	126.5	166.8	51	0	0	0	0	109.9	G352 Q356	G352-S354 PolarHBondContact O-N 3.02Å; S354-Q356 PolarHBondContact O-N 2.75Å
355	P	46.1	Very low	51	Low	120 Å²	120	126 Å²	126	78%	0.779	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-67.2	132.1	-179.1	26.6	-33.5	0	0	0	110.5	R357	P355-R357 PolarHBondContact O-N 3.24Å
356	Q	44.4	Very low	53.9	Low	188 Å²	188	128.2 Å²	128.2	88%	0.879	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-60.1	127.4	165.7	-73.9	178.9	-36.5	0	0	108.1	S354 E358	S354-Q356 PolarHBondContact O-N 2.75Å; Q356-E358 PolarHBondContact O-N 2.87Å
357	R	44.9	Very low	56.7	Low	222 Å²	222	122.4 Å²	122.4	84%	0.838	67%	0.667	S	S	*	*			trans	-76.6	89.6	-173.7	-165.7	177.4	-170.6	175.5	3.2	109.8	P355	P355-R357 PolarHBondContact O-N 3.24Å
358	E	39.3	Very low	59.6	Low	165 Å²	165	121.4 Å²	121.4	77%	0.771	64%	0.638	S	S	*	*			trans	-51.2	149.2	170.9	-66	-164.9	136.4	0	0	111.1	Q356 Q360	Q356-E358 PolarHBondContact O-N 2.87Å; E358-Q360 PolarHBondContact O-N 2.97Å
359	P	48.7	Very low	62.4	Low	94 Å²	94	118.8 Å²	118.8	61%	0.61	62%	0.616	S	S	*	*			trans	-56.3	100.6	171.7	-25.3	35.5	0	0	0	110.8	R361	P359-R361 PolarHBondContact O-N 2.94Å
360	Q	53.2	Low	65	Low	146 Å²	146	115.5 Å²	115.5	68%	0.682	59%	0.589	S	S	*	*			trans	-68	104.7	-167.9	-168	169.2	3.4	0	0	109.4	E358 V362	E358-Q360 PolarHBondContact O-N 2.97Å; Q360-V362 PolarHBondContact O-N 3.18Å
361	R	68.5	Low	67.4	Low	214 Å²	214	109.4 Å²	109.4	81%	0.808	55%	0.549	S	S	*	.			trans	-54.4	112.3	-177	-73.3	-174	177.9	-168	0.4	110.2	P359 S363	P359-R361 PolarHBondContact O-N 2.94Å; R361-S363 PolarHBondContact O-N 3.49Å
362	V	80	Confident	69.9	Low	34 Å²	34	104 Å²	104	21%	0.206	52%	0.524	C	S	.	.			trans	-48.7	128.9	177.7	-176.3	0	0	0	0	109.6	F88 M91 Q360 Q366 F367 R423	F88-V362 HydrophobicContact CE1-CG1 4.42Å; F88-V362 HydrophobicContact CE1-CG2 4.26Å; M91-V362 HydrophobicContact SD-CG2 3.72Å; Q360-V362 PolarHBondContact O-N 3.18Å; V362-Q366 HydrophobicContact CG1-CB 3.59Å; V362-F367 HydrophobicContact CG1-CB 4.11Å; V362-R423 PolarHBondContact O-NH2 3.01Å
363	S	91.1	Very high	72.6	Confident	46 Å²	46	106.8 Å²	106.8	32%	0.322	52%	0.521	S	S	.	.			trans	-67.4	165.9	-179.2	87.8	0	0	0	0	111.6	R361 E365 Q366 F367 R423	R361-S363 PolarHBondContact O-N 3.49Å; S363-E365 PolarHBondContact O-N 2.92Å; S363-E365 PolarHBondContact OG-N 2.98Å; S363-Q366 WeakPolarHBondContact OG-CG 3.44Å; S363-Q366 PolarHBondContact OG-N 3.27Å; S363-F367 WeakPolarHBondContact O-CB 3.47Å; S363-F367 PolarHBondContact O-N 3.01Å; S363-R423 PolarHBondContact O-NH2 3.27Å
364	H	90.9	Very high	75.2	Confident	48 Å²	48	95.7 Å²	95.7	22%	0.222	48%	0.48	C	S	.	.	H	α-helix	trans	-59	-40.2	171.3	-178.2	79.1	0	0	0	111.4	R368 R418 D452	H364-R368 WeakPolarHBondContact O-CB 3.5Å; H364-R368 PolarHBondContact O-N 3.33Å; H364-R418 VanDerWaalsContact CE1-CG 3.44Å; H364-R418 WeakPolarHBondContact CE1-CG 3.35Å; H364-R418 PolarHBondContact NE2-NH2 3.19Å; H364-D452 IonicContact CD2-OD1 2.57Å; H364-D452 IonicContact CE1-OD1 2.9Å; H364-D452 IonicContact NE2-OD1 3.79Å; H364-D452 PolarHBondContact NE2-OD1 3.38Å
365	E	92.5	Very high	78	Confident	149 Å²	149	91.2 Å²	91.2	70%	0.696	45%	0.448	S	S	*	.	H	α-helix	trans	-71.6	-40.5	-179.2	-173.9	169.4	-146.4	0	0	112.8	S363 R368 A369	S363-E365 PolarHBondContact O-N 2.92Å; S363-E365 PolarHBondContact OG-N 2.98Å; E365-R368 WeakPolarHBondContact O-CB 3.45Å; E365-R368 PolarHBondContact O-N 2.72Å; E365-A369 VanDerWaalsContact O-CB 3.31Å; E365-A369 WeakPolarHBondContact O-CB 3.46Å; E365-A369 PolarHBondContact O-N 3.43Å
366	Q	92.9	Very high	80.4	Confident	112 Å²	112	88.1 Å²	88.1	52%	0.523	43%	0.425	S	S	.	.	H	α-helix	trans	-63.7	-43.9	173.8	-73.5	170.4	-28.3	0	0	111.6	V362 S363 A369 A370	V362-Q366 HydrophobicContact CG1-CB 3.59Å; S363-Q366 WeakPolarHBondContact OG-CG 3.44Å; S363-Q366 PolarHBondContact OG-N 3.27Å; Q366-A369 PolarHBondContact O-N 3.07Å; Q366-A370 WeakPolarHBondContact O-CB 3.3Å; Q366-A370 PolarHBondContact O-N 2.95Å
367	F	92.7	Very high	82.9	Confident	4 Å²	4	84.6 Å²	84.6	2%	0.018	42%	0.418	C	S	.	.	H	α-helix	trans	-64.1	-43.4	175.1	173.3	-96.1	0	0	0	111.6	V362 S363 A369 A370 L371 L417 R423 L426 F427	V362-F367 HydrophobicContact CG1-CB 4.11Å; S363-F367 WeakPolarHBondContact O-CB 3.47Å; S363-F367 PolarHBondContact O-N 3.01Å; F367-A369 PolarHBondContact O-N 3.1Å; F367-A370 PolarHBondContact O-N 3.15Å; F367-L371 HydrophobicContact CE1-CD2 4.32Å; F367-L371 HydrophobicContact CZ-CD2 4.42Å; F367-L371 WeakPolarHBondContact O-CB 3.27Å; F367-L371 PolarHBondContact O-N 2.98Å; F367-L417 HydrophobicContact CD1-CD2 4.19Å; F367-L417 HydrophobicContact CE1-CD2 3.91Å; F367-L417 HydrophobicContact CE1-CG 3.97Å; F367-R423 HydrophobicContact CD1-CG 4.15Å; F367-R423 HydrophobicContact CD2-CG 4.09Å; F367-R423 HydrophobicContact CE1-CB 4.01Å; F367-R423 HydrophobicContact CE1-CG 3.94Å; F367-R423 HydrophobicContact CE2-CB 4.4Å; F367-R423 HydrophobicContact CE2-CG 3.88Å; F367-R423 HydrophobicContact CG-CG 4.23Å; F367-R423 HydrophobicContact CZ-CB 3.9Å; F367-R423 HydrophobicContact CZ-CG 3.82Å; F367-R423 WeakPolarHBondContact CZ-O 3.47Å; F367-L426 HydrophobicContact CE1-CD1 4.41Å; F367-L426 HydrophobicContact CZ-CB 4.48Å; F367-L426 HydrophobicContact CZ-CD1 4.31Å; F367-F427 HydrophobicContact CD2-CE2 4.09Å; F367-F427 HydrophobicContact CE2-CD2 4.1Å; F367-F427 AromaticContact CE2-CE2 3.54Å; F367-F427 HydrophobicContact CE2-CE2 3.54Å; F367-F427 HydrophobicContact CE2-CZ 4.39Å; F367-F427 HydrophobicContact CZ-CE2 4.35Å
368	R	94.8	Very high	85.4	Confident	62 Å²	62	77 Å²	77	23%	0.234	41%	0.409	C	S	.	.	H	α-helix	trans	-57.6	-46.6	174.2	-177	-166.4	177.7	69.9	23.3	111.6	H364 E365 L371 Q372 L449 G451 D452	H364-R368 WeakPolarHBondContact O-CB 3.5Å; H364-R368 PolarHBondContact O-N 3.33Å; E365-R368 WeakPolarHBondContact O-CB 3.45Å; E365-R368 PolarHBondContact O-N 2.72Å; R368-L371 PolarHBondContact O-N 2.84Å; R368-Q372 WeakPolarHBondContact O-CB 3.47Å; R368-Q372 PolarHBondContact O-N 3Å; R368-L449 HydrophobicContact CG-CD2 3.76Å; R368-G451 VanDerWaalsContact CZ-O 3.25Å; R368-G451 VanDerWaalsContact NH1-C 3.32Å; R368-G451 PolarHBondContact NH1-O 2.76Å; R368-G451 PolarHBondContact NH2-O 2.96Å; R368-D452 IonicContact CZ-OD1 3.28Å; R368-D452 IonicContact NH1-OD1 3.73Å; R368-D452 PolarHBondContact NH1-OD1 2.56Å
369	A	93.9	Very high	88.1	Confident	54 Å²	54	71.5 Å²	71.5	45%	0.446	39%	0.385	S	S	.	.	H	α-helix	trans	-65.5	-41.9	179.3	0	0	0	0	0	111.8	E365 Q366 F367 L371 Q372 L373	E365-A369 VanDerWaalsContact O-CB 3.31Å; E365-A369 WeakPolarHBondContact O-CB 3.46Å; E365-A369 PolarHBondContact O-N 3.43Å; Q366-A369 PolarHBondContact O-N 3.07Å; F367-A369 PolarHBondContact O-N 3.1Å; A369-L371 PolarHBondContact O-N 3.17Å; A369-Q372 WeakPolarHBondContact O-CB 3.18Å; A369-Q372 PolarHBondContact O-N 3.38Å; A369-L373 PolarHBondContact O-N 3.02Å
370	A	93.8	Very high	90.5	Very high	17 Å²	17	67 Å²	67	14%	0.14	36%	0.356	C	S	.	.	H	α-helix	trans	-63.4	-40.1	174.6	0	0	0	0	0	112.2	F88 Q366 F367 Q372 L373 F427	F88-A370 HydrophobicContact CE2-CB 3.97Å; F88-A370 HydrophobicContact CZ-CB 3.69Å; Q366-A370 WeakPolarHBondContact O-CB 3.3Å; Q366-A370 PolarHBondContact O-N 2.95Å; F367-A370 PolarHBondContact O-N 3.15Å; A370-Q372 VanDerWaalsContact C-N 3.32Å; A370-L373 WeakPolarHBondContact O-CB 3.39Å; A370-L373 PolarHBondContact O-N 3.28Å; A370-F427 HydrophobicContact CB-CZ 3.89Å
371	L	93.1	Very high	92.6	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-68.3	-32.1	174.7	-164	67.6	0	0	0	111.9	F367 R368 A369 L373 V374 V375 L417 F427 L449 L454	F367-L371 HydrophobicContact CE1-CD2 4.32Å; F367-L371 HydrophobicContact CZ-CD2 4.42Å; F367-L371 WeakPolarHBondContact O-CB 3.27Å; F367-L371 PolarHBondContact O-N 2.98Å; R368-L371 PolarHBondContact O-N 2.84Å; A369-L371 PolarHBondContact O-N 3.17Å; L371-L373 PolarHBondContact O-N 3.47Å; L371-V374 HydrophobicContact CD1-CG2 3.95Å; L371-V374 WeakPolarHBondContact O-CG2 3.38Å; L371-V374 PolarHBondContact O-N 3.34Å; L371-V375 PolarHBondContact O-N 2.76Å; L371-L417 HydrophobicContact CD2-CD1 4.22Å; L371-L417 HydrophobicContact CD2-CD2 4.03Å; L371-L417 HydrophobicContact CD2-CG 4.22Å; L371-F427 HydrophobicContact CB-CE1 4.31Å; L371-F427 HydrophobicContact CB-CZ 4.23Å; L371-F427 HydrophobicContact CD1-CD1 3.73Å; L371-F427 HydrophobicContact CD1-CE1 3.72Å; L371-F427 HydrophobicContact CD1-CG 4.12Å; L371-F427 HydrophobicContact CD1-CZ 4.12Å; L371-L449 HydrophobicContact CD2-CD1 4.34Å; L371-L454 HydrophobicContact CD2-CB 4.28Å; L371-L454 HydrophobicContact CD2-CD1 4.39Å; L371-L454 HydrophobicContact CD2-CD2 4.36Å
372	Q	94.9	Very high	94	Very high	82 Å²	82	60.9 Å²	60.9	38%	0.383	34%	0.338	S	S	.	.	H	α-helix	trans	-64.5	-19.5	174.6	-173.5	58.6	87.2	0	0	113.4	R368 A369 A370 L449	R368-Q372 WeakPolarHBondContact O-CB 3.47Å; R368-Q372 PolarHBondContact O-N 3Å; A369-Q372 WeakPolarHBondContact O-CB 3.18Å; A369-Q372 PolarHBondContact O-N 3.38Å; A370-Q372 VanDerWaalsContact C-N 3.32Å; Q372-L449 HydrophobicContact CB-CD2 4.02Å
373	L	93.2	Very high	94.9	Very high	134 Å²	134	62 Å²	62	70%	0.702	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.6	176.3	-63.9	173.5	0	0	0	114.2	A369 A370 L371	A369-L373 PolarHBondContact O-N 3.02Å; A370-L373 WeakPolarHBondContact O-CB 3.39Å; A370-L373 PolarHBondContact O-N 3.28Å; L371-L373 PolarHBondContact O-N 3.47Å
374	V	93.3	Very high	95.2	Very high	11 Å²	11	60 Å²	60	7%	0.067	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-16.2	-176.9	-51.3	0	0	0	0	114.1	L81 L84 L371 F427 V430	L81-V374 HydrophobicContact CD1-CB 4.42Å; L81-V374 HydrophobicContact CD1-CG1 4.12Å; L84-V374 HydrophobicContact CD1-CG1 4.32Å; L371-V374 HydrophobicContact CD1-CG2 3.95Å; L371-V374 WeakPolarHBondContact O-CG2 3.38Å; L371-V374 PolarHBondContact O-N 3.34Å; V374-F427 HydrophobicContact CG1-CD1 4.1Å; V374-F427 HydrophobicContact CG1-CE1 3.95Å; V374-F427 HydrophobicContact CG2-CD1 3.82Å; V374-F427 HydrophobicContact CG2-CE1 3.93Å; V374-V430 HydrophobicContact CG2-CB 4.48Å; V374-V430 HydrophobicContact CG2-CG1 4.17Å
375	V	96.1	Very high	95.5	Very high	14 Å²	14	60 Å²	60	9%	0.085	33%	0.326	C	S	.	.	S	Bend	trans	-93.4	161	179.7	-59.7	0	0	0	0	111.9	L371 V430 S447 L449 L454	L371-V375 PolarHBondContact O-N 2.76Å; V375-V430 HydrophobicContact CG1-CG2 4.27Å; V375-S447 WeakPolarHBondContact CA-OG 3.36Å; V375-S447 WeakPolarHBondContact CB-O 3.49Å; V375-L449 HydrophobicContact CG2-CB 4.17Å; V375-L454 HydrophobicContact CG1-CD1 3.64Å
376	D	97.2	Very high	95.7	Very high	54 Å²	54	59.2 Å²	59.2	29%	0.289	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-65.2	144.5	173.4	-59.9	-76.4	0	0	0	111.6	N446 S447 Y448	D376-N446 VanDerWaalsContact CG-ND2 3.27Å; D376-N446 PolarHBondContact OD1-ND2 3.09Å; D376-N446 WeakPolarHBondContact OD2-CA 3.33Å; D376-N446 WeakPolarHBondContact OD2-CB 3.46Å; D376-N446 PolarHBondContact OD2-ND2 2.98Å; D376-S447 WeakPolarHBondContact CA-O 3.48Å; D376-S447 VanDerWaalsContact CB-O 3.25Å; D376-S447 WeakPolarHBondContact CB-O 3.26Å; D376-S447 PolarHBondContact N-O 3.16Å; D376-S447 PolarHBondContact OD2-N 2.67Å; D376-Y448 HydrophobicContact CB-CD1 3.98Å; D376-Y448 HydrophobicContact CB-CE1 3.61Å
377	P	96.4	Very high	95.9	Very high	114 Å²	114	57.3 Å²	57.3	74%	0.74	31%	0.311	S	S	*	.	S	Bend	trans	-74.3	150	175.1	31.3	-35	0	0	0	111.9
378	G	96.3	Very high	96.1	Very high	63 Å²	63	62.2 Å²	62.2	65%	0.649	34%	0.336	S	S	*	.	S	Bend	trans	105	-156.6	174.3	0	0	0	0	0	114
379	D	97.6	Very high	96.2	Very high	49 Å²	49	64.2 Å²	64.2	26%	0.262	35%	0.346	S	S	.	.			trans	-138.7	116.9	-173.6	-178.3	-12.9	0	0	0	110.4	R381 T382	D379-R381 VanDerWaalsContact CG-NE 3.34Å; D379-R381 PolarHBondContact O-N 3.27Å; D379-R381 VanDerWaalsContact O-N 3.15Å; D379-R381 WeakPolarHBondContact OD1-CB 3.49Å; D379-R381 VanDerWaalsContact OD1-CG 3.24Å; D379-R381 WeakPolarHBondContact OD1-CG 3.19Å; D379-R381 IonicContact OD1-CZ 3.11Å; D379-R381 PolarHBondContact OD1-N 3.27Å; D379-R381 IonicContact OD1-NE 2.71Å; D379-R381 PolarHBondContact OD1-NE 3.36Å; D379-R381 IonicContact OD1-NH2 2.75Å; D379-R381 IonicContact OD2-CZ 2.8Å; D379-R381 IonicContact OD2-NE 3.84Å; D379-R381 PolarHBondContact OD2-NE 3.08Å; D379-R381 IonicContact OD2-NH2 3.69Å; D379-R381 PolarHBondContact OD2-NH2 3.15Å; D379-T382 HydrophobicContact CB-CG2 4.32Å; D379-T382 WeakPolarHBondContact O-CB 3.39Å; D379-T382 WeakPolarHBondContact O-CG2 3.44Å; D379-T382 PolarHBondContact O-N 2.9Å; D379-T382 VanDerWaalsContact O-N 3.09Å; D379-T382 PolarHBondContact O-OG1 3.11Å
380	P	97.9	Very high	96.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-67.4	-16.1	-176.4	27.9	-34.3	0	0	0	113.4	T382 Y383 L384 Y448 V450 W455	P380-T382 PolarHBondContact O-N 3.42Å; P380-Y383 HydrophobicContact CB-CE1 3.89Å; P380-Y383 PolarHBondContact O-N 3.45Å; P380-L384 HydrophobicContact CB-CD1 4.17Å; P380-L384 WeakPolarHBondContact O-CB 3.34Å; P380-L384 PolarHBondContact O-N 3.36Å; P380-Y448 HydrophobicContact CB-CD2 3.7Å; P380-Y448 HydrophobicContact CB-CE2 3.82Å; P380-Y448 HydrophobicContact CB-CG 4.23Å; P380-Y448 HydrophobicContact CG-CD2 3.67Å; P380-Y448 HydrophobicContact CG-CE2 4.31Å; P380-Y448 HydrophobicContact CG-CG 3.86Å; P380-V450 HydrophobicContact CG-CG2 3.76Å; P380-W455 HydrophobicContact CG-CD2 4.47Å; P380-W455 HydrophobicContact CG-CE3 3.61Å; P380-W455 HydrophobicContact CG-CZ3 4.1Å
381	R	97.9	Very high	95.9	Very high	131 Å²	131	66.4 Å²	66.4	49%	0.494	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-65.8	-16.6	174.3	-57.7	173.4	-67.2	-173	4	112.2	D379 K404 W455	D379-R381 VanDerWaalsContact CG-NE 3.34Å; D379-R381 PolarHBondContact O-N 3.27Å; D379-R381 VanDerWaalsContact O-N 3.15Å; D379-R381 WeakPolarHBondContact OD1-CB 3.49Å; D379-R381 VanDerWaalsContact OD1-CG 3.24Å; D379-R381 WeakPolarHBondContact OD1-CG 3.19Å; D379-R381 IonicContact OD1-CZ 3.11Å; D379-R381 PolarHBondContact OD1-N 3.27Å; D379-R381 IonicContact OD1-NE 2.71Å; D379-R381 PolarHBondContact OD1-NE 3.36Å; D379-R381 IonicContact OD1-NH2 2.75Å; D379-R381 IonicContact OD2-CZ 2.8Å; D379-R381 IonicContact OD2-NE 3.84Å; D379-R381 PolarHBondContact OD2-NE 3.08Å; D379-R381 IonicContact OD2-NH2 3.69Å; D379-R381 PolarHBondContact OD2-NH2 3.15Å; R381-K404 PolarHBondContact O-NZ 3.47Å; R381-W455 HydrophobicContact CG-CH2 3.81Å; R381-W455 HydrophobicContact CG-CZ3 3.79Å
382	T	97.9	Very high	95.7	Very high	101 Å²	101	72.9 Å²	72.9	62%	0.62	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-65.7	-43.5	172.5	59.6	0	0	0	0	112	D379 P380 K404	D379-T382 HydrophobicContact CB-CG2 4.32Å; D379-T382 WeakPolarHBondContact O-CB 3.39Å; D379-T382 WeakPolarHBondContact O-CG2 3.44Å; D379-T382 PolarHBondContact O-N 2.9Å; D379-T382 VanDerWaalsContact O-N 3.09Å; D379-T382 PolarHBondContact O-OG1 3.11Å; P380-T382 PolarHBondContact O-N 3.42Å; T382-K404 PolarHBondContact O-NZ 2.91Å
383	Y	97.8	Very high	95.1	Very high	58 Å²	58	71.3 Å²	71.3	23%	0.227	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-11.9	-173.9	75.3	-91.9	0	0	0	115.3	P380 V403 K404 Y448	P380-Y383 HydrophobicContact CB-CE1 3.89Å; P380-Y383 PolarHBondContact O-N 3.45Å; Y383-V403 HydrophobicContact CD2-CG1 4.5Å; Y383-K404 WeakPolarHBondContact O-CB 3.48Å; Y383-K404 WeakPolarHBondContact O-CG 3.43Å; Y383-K404 PolarHBondContact O-N 3.27Å; Y383-Y448 HydrophobicContact CE1-CE2 4.18Å; Y383-Y448 AromaticContact CE1-CZ 3.88Å; Y383-Y448 WeakPolarHBondContact CE1-OH 3.33Å; Y383-Y448 VanDerWaalsContact OH-CE2 3.26Å; Y383-Y448 WeakPolarHBondContact OH-CE2 3.4Å; Y383-Y448 PolarHBondContact OH-OH 3.36Å; Y383-Y448 VanDerWaalsContact OH-OH 3.07Å
384	L	98.3	Very high	94.4	Very high	2 Å²	2	69.4 Å²	69.4	1%	0.01	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	148.7	173.5	-60.7	-176.9	0	0	0	112.4	P380 Y387 A401 T402 V403 K404 V410 V412 V457	P380-L384 HydrophobicContact CB-CD1 4.17Å; P380-L384 WeakPolarHBondContact O-CB 3.34Å; P380-L384 PolarHBondContact O-N 3.36Å; L384-Y387 HydrophobicContact CB-CE1 4.28Å; L384-Y387 WeakPolarHBondContact CB-OH 3.2Å; L384-Y387 HydrophobicContact CD1-CE1 4.45Å; L384-A401 HydrophobicContact CB-CB 4.43Å; L384-A401 HydrophobicContact CD1-CB 4.39Å; L384-T402 CarbonylContact C-O 3.38Å; L384-T402 VanDerWaalsContact CA-O 3.3Å; L384-T402 WeakPolarHBondContact CA-O 3.45Å; L384-V403 HydrophobicContact CD2-CB 4.3Å; L384-V403 HydrophobicContact CD2-CG2 3.59Å; L384-K404 WeakPolarHBondContact O-CE 3.31Å; L384-K404 PolarHBondContact O-NZ 3.15Å; L384-V410 HydrophobicContact CD1-CG2 4.2Å; L384-V410 HydrophobicContact CD2-CG2 3.76Å; L384-V412 HydrophobicContact CD1-CG2 3.82Å; L384-V457 HydrophobicContact CD1-CG1 4.25Å; L384-V457 HydrophobicContact CD1-CG2 4.15Å
385	D	97.3	Very high	94	Very high	48 Å²	48	69.9 Å²	69.9	26%	0.257	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	-167.1	170	63.6	20.2	0	0	0	113.1	Y387 A401 T402 K404	D385-Y387 VanDerWaalsContact C-N 3.29Å; D385-Y387 PolarHBondContact O-N 3.15Å; D385-Y387 VanDerWaalsContact O-N 3.14Å; D385-A401 WeakPolarHBondContact O-CA 3.21Å; D385-A401 WeakPolarHBondContact O-CB 3.21Å; D385-T402 PolarHBondContact N-O 3.28Å; D385-T402 PolarHBondContact O-N 3.04Å; D385-K404 HydrophobicContact CB-CG 4.34Å; D385-K404 WeakPolarHBondContact OD2-CG 3.25Å
386	H	96.4	Very high	93.7	Very high	133 Å²	133	70 Å²	70	62%	0.616	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	49.3	40.1	178.1	-62.1	95.5	0	0	0	115.4	I388	H386-I388 PolarHBondContact O-N 3.03Å; H386-I388 VanDerWaalsContact O-N 3.1Å
387	Y	97.7	Very high	93.5	Very high	72 Å²	72	70 Å²	70	28%	0.282	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	112.5	177.7	-59.5	-80	0	0	0	112.6	L384 D385 C399 I400 A401 V412 W455	L384-Y387 HydrophobicContact CB-CE1 4.28Å; L384-Y387 WeakPolarHBondContact CB-OH 3.2Å; L384-Y387 HydrophobicContact CD1-CE1 4.45Å; D385-Y387 VanDerWaalsContact C-N 3.29Å; D385-Y387 PolarHBondContact O-N 3.15Å; D385-Y387 VanDerWaalsContact O-N 3.14Å; Y387-C399 HydrophobicContact CD1-CB 4.45Å; Y387-I400 WeakPolarHBondContact CA-O 3.15Å; Y387-A401 HydrophobicContact CD1-CB 3.64Å; Y387-A401 HydrophobicContact CE1-CB 3.74Å; Y387-A401 HydrophobicContact CG-CB 4.46Å; Y387-V412 HydrophobicContact CE1-CG2 4.38Å; Y387-W455 HydrophobicContact CE1-CH2 4.45Å; Y387-W455 AromaticContact CE1-CZ3 3.82Å; Y387-W455 HydrophobicContact CE1-CZ3 3.82Å; Y387-W455 AromaticContact CZ-CZ3 3.73Å; Y387-W455 WeakPolarHBondContact OH-CZ3 3.48Å
388	I	97.3	Very high	93.5	Very high	107 Å²	107	66 Å²	66	55%	0.549	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.3	172.7	-63.1	165.1	0	0	0	107.8	H386 I390 C399 I400	H386-I388 PolarHBondContact O-N 3.03Å; H386-I388 VanDerWaalsContact O-N 3.1Å; I388-I390 PolarHBondContact O-N 3.25Å; I388-C399 CarbonylContact O-C 3.55Å; I388-C399 WeakPolarHBondContact O-CA 3.32Å; I388-C399 WeakPolarHBondContact O-CB 3.43Å; I388-I400 HydrophobicContact CB-CG2 3.81Å; I388-I400 PolarHBondContact N-O 3.14Å; I388-I400 PolarHBondContact O-N 3.14Å
389	K	96.4	Very high	93.6	Very high	105 Å²	105	63.6 Å²	63.6	46%	0.457	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	127.1	174.6	176	172.5	178.8	179.5	0	109.9	G391 E392 I397	K389-G391 VanDerWaalsContact CE-O 3.31Å; K389-G391 WeakPolarHBondContact CE-O 3.31Å; K389-E392 IonicContact NZ-OE2 2.69Å; K389-E392 PolarHBondContact NZ-OE2 3.41Å; K389-I397 HydrophobicContact CB-CG2 4.43Å; K389-I397 HydrophobicContact CD-CG2 3.72Å; K389-I397 HydrophobicContact CG-CG2 3.79Å
390	I	91.6	Very high	93.6	Very high	88 Å²	88	62.3 Å²	62.3	45%	0.451	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-23.3	176.8	59.8	171	0	0	0	112.9	I388 V398 I400 F460	I388-I390 PolarHBondContact O-N 3.25Å; I390-V398 HydrophobicContact CD1-CG1 3.94Å; I390-V398 HydrophobicContact CG1-CB 4.22Å; I390-V398 HydrophobicContact CG1-CG1 3.89Å; I390-V398 WeakPolarHBondContact CG1-O 3.49Å; I390-V398 PolarHBondContact N-O 2.8Å; I390-I400 HydrophobicContact CD1-CB 4.37Å; I390-I400 HydrophobicContact CG2-CB 4.03Å; I390-I400 HydrophobicContact CG2-CG2 3.8Å; I390-F460 HydrophobicContact CD1-CD2 4.16Å; I390-F460 HydrophobicContact CD1-CE2 3.79Å
391	G	89.1	Confident	93.6	Very high	28 Å²	28	62.3 Å²	62.3	29%	0.289	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	172.7	-179.8	0	0	0	0	0	114.2	K389 V398	K389-G391 VanDerWaalsContact CE-O 3.31Å; K389-G391 WeakPolarHBondContact CE-O 3.31Å; G391-V398 PolarHBondContact N-O 2.85Å; G391-V398 VanDerWaalsContact N-O 3.13Å; G391-V398 PolarHBondContact O-N 3.36Å
392	E	89.1	Confident	93.6	Very high	137 Å²	137	57.6 Å²	57.6	64%	0.64	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.9	121.1	173.1	-177.6	166.4	-161	0	0	109	K389 G396 I397	K389-E392 IonicContact NZ-OE2 2.69Å; K389-E392 PolarHBondContact NZ-OE2 3.41Å; E392-G396 WeakPolarHBondContact CA-O 3.4Å; E392-I397 HydrophobicContact CB-CG1 4.36Å; E392-I397 HydrophobicContact CG-CG1 4.01Å
393	G	81.4	Confident	93.6	Very high	48 Å²	48	53.7 Å²	53.7	50%	0.495	30%	0.295	S	S	.	.			trans	-110.4	-174.8	178	0	0	0	0	0	112	T395 G396	G393-T395 PolarHBondContact O-N 3.41Å; G393-G396 PolarHBondContact N-O 3.33Å; G393-G396 PolarHBondContact O-N 3.3Å
394	S	80	Confident	93.6	Very high	94 Å²	94	55.6 Å²	55.6	66%	0.657	30%	0.304	S	S	*	.	S	Bend	trans	-63.1	-25.9	-178.2	56.9	0	0	0	0	114.4
395	T	84.1	Confident	93.5	Very high	21 Å²	21	61.3 Å²	61.3	13%	0.129	34%	0.34	C	S	.	.	S	Bend	trans	-100.5	-19.4	-179	56.6	0	0	0	0	114	G393 M415 Q420 F524	G393-T395 PolarHBondContact O-N 3.41Å; T395-M415 WeakPolarHBondContact O-CB 3.49Å; T395-M415 WeakPolarHBondContact O-CG 3.5Å; T395-Q420 PolarHBondContact O-NE2 2.81Å; T395-F524 HydrophobicContact CG2-CE1 4.44Å
396	G	89.2	Confident	93.5	Very high	16 Å²	16	63.8 Å²	63.8	17%	0.165	36%	0.357	C	S	.	.			trans	170	-172.2	-173.5	0	0	0	0	0	116.3	E392 G393 K414	E392-G396 WeakPolarHBondContact CA-O 3.4Å; G393-G396 PolarHBondContact N-O 3.33Å; G393-G396 PolarHBondContact O-N 3.3Å; G396-K414 CarbonylContact C-O 3.59Å; G396-K414 VanDerWaalsContact CA-O 3.23Å; G396-K414 WeakPolarHBondContact CA-O 3.25Å
397	I	94.3	Very high	93.5	Very high	56 Å²	56	59.8 Å²	59.8	29%	0.287	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.9	-177.6	-70.1	173.6	0	0	0	109.8	K389 E392 K414	K389-I397 HydrophobicContact CB-CG2 4.43Å; K389-I397 HydrophobicContact CD-CG2 3.72Å; K389-I397 HydrophobicContact CG-CG2 3.79Å; E392-I397 HydrophobicContact CB-CG1 4.36Å; E392-I397 HydrophobicContact CG-CG1 4.01Å; I397-K414 PolarHBondContact N-O 2.98Å; I397-K414 PolarHBondContact O-N 2.87Å
398	V	96.3	Very high	93.4	Very high	29 Å²	29	61 Å²	61	18%	0.176	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.8	171	-171.7	0	0	0	0	109.5	I390 G391 A411 K413 M458	I390-V398 HydrophobicContact CD1-CG1 3.94Å; I390-V398 HydrophobicContact CG1-CB 4.22Å; I390-V398 HydrophobicContact CG1-CG1 3.89Å; I390-V398 WeakPolarHBondContact CG1-O 3.49Å; I390-V398 PolarHBondContact N-O 2.8Å; G391-V398 PolarHBondContact N-O 2.85Å; G391-V398 VanDerWaalsContact N-O 3.13Å; G391-V398 PolarHBondContact O-N 3.36Å; V398-A411 HydrophobicContact CG1-CB 4.32Å; V398-K413 HydrophobicContact CG2-CB 4.39Å; V398-K413 HydrophobicContact CG2-CG 4.28Å; V398-M458 HydrophobicContact CG1-CE 4.19Å
399	C	97.6	Very high	93.4	Very high	12 Å²	12	59.9 Å²	59.9	8%	0.081	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	145.8	169.1	-62.5	0	0	0	0	110.4	Y387 I388 A411 V412	Y387-C399 HydrophobicContact CD1-CB 4.45Å; I388-C399 CarbonylContact O-C 3.55Å; I388-C399 WeakPolarHBondContact O-CA 3.32Å; I388-C399 WeakPolarHBondContact O-CB 3.43Å; C399-A411 CarbonylContact O-C 3.52Å; C399-A411 WeakPolarHBondContact O-CA 3.49Å; C399-V412 PolarHBondContact N-O 3.45Å; C399-V412 PolarHBondContact O-N 2.97Å
400	I	97.4	Very high	93.4	Very high	23 Å²	23	55 Å²	55	12%	0.118	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	147.8	152.3	-165.6	174.6	0	0	0	108.5	Y387 I388 I390 L409 V410 F460	Y387-I400 WeakPolarHBondContact CA-O 3.15Å; I388-I400 HydrophobicContact CB-CG2 3.81Å; I388-I400 PolarHBondContact N-O 3.14Å; I388-I400 PolarHBondContact O-N 3.14Å; I390-I400 HydrophobicContact CD1-CB 4.37Å; I390-I400 HydrophobicContact CG2-CB 4.03Å; I390-I400 HydrophobicContact CG2-CG2 3.8Å; I400-L409 HydrophobicContact CD1-CB 4.15Å; I400-L409 HydrophobicContact CD1-CD1 4.06Å; I400-L409 HydrophobicContact CD1-CD2 3.95Å; I400-L409 HydrophobicContact CD1-CG 4.27Å; I400-L409 HydrophobicContact CG1-CB 4.39Å; I400-L409 HydrophobicContact CG1-CD2 4.25Å; I400-V410 CarbonylContact C-O 3.54Å; I400-V410 WeakPolarHBondContact CA-O 3.24Å; I400-F460 HydrophobicContact CD1-CD1 3.64Å; I400-F460 HydrophobicContact CD1-CD2 3.98Å; I400-F460 HydrophobicContact CD1-CE1 3.51Å; I400-F460 HydrophobicContact CD1-CE2 3.88Å; I400-F460 HydrophobicContact CD1-CG 3.88Å; I400-F460 HydrophobicContact CD1-CZ 3.65Å; I400-F460 HydrophobicContact CG1-CD1 4.38Å; I400-F460 HydrophobicContact CG1-CD2 4.11Å; I400-F460 HydrophobicContact CG1-CE2 4.35Å; I400-F460 HydrophobicContact CG1-CG 4.14Å
401	A	98.3	Very high	93.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	162.1	174.1	0	0	0	0	0	110.2	L384 D385 Y387 L409 V410 V412	L384-A401 HydrophobicContact CB-CB 4.43Å; L384-A401 HydrophobicContact CD1-CB 4.39Å; D385-A401 WeakPolarHBondContact O-CA 3.21Å; D385-A401 WeakPolarHBondContact O-CB 3.21Å; Y387-A401 HydrophobicContact CD1-CB 3.64Å; Y387-A401 HydrophobicContact CE1-CB 3.74Å; Y387-A401 HydrophobicContact CG-CB 4.46Å; A401-L409 WeakPolarHBondContact O-CA 3.29Å; A401-V410 HydrophobicContact CB-CG2 4.21Å; A401-V410 PolarHBondContact N-O 3.4Å; A401-V410 PolarHBondContact O-N 3.28Å; A401-V412 HydrophobicContact CB-CG2 3.87Å
402	T	98.3	Very high	94.2	Very high	31 Å²	31	49.8 Å²	49.8	19%	0.19	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.4	178.4	-53.1	0	0	0	0	110.6	L384 D385	L384-T402 CarbonylContact C-O 3.38Å; L384-T402 VanDerWaalsContact CA-O 3.3Å; L384-T402 WeakPolarHBondContact CA-O 3.45Å; D385-T402 PolarHBondContact N-O 3.28Å; D385-T402 PolarHBondContact O-N 3.04Å
403	V	98.1	Very high	94.5	Very high	19 Å²	19	43.5 Å²	43.5	12%	0.115	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	115	172	177.4	0	0	0	0	109.5	Y383 L384 T405 T406 G407 K408 V410	Y383-V403 HydrophobicContact CD2-CG1 4.5Å; L384-V403 HydrophobicContact CD2-CB 4.3Å; L384-V403 HydrophobicContact CD2-CG2 3.59Å; V403-T405 PolarHBondContact O-N 3.05Å; V403-T405 VanDerWaalsContact O-N 3.13Å; V403-T406 WeakPolarHBondContact CB-OG1 3.31Å; V403-T406 WeakPolarHBondContact CG1-OG1 3.42Å; V403-T406 PolarHBondContact O-N 2.85Å; V403-G407 WeakPolarHBondContact O-CA 3.38Å; V403-G407 PolarHBondContact O-N 3.31Å; V403-K408 HydrophobicContact CB-CB 4.4Å; V403-K408 HydrophobicContact CG2-CB 4.4Å; V403-K408 WeakPolarHBondContact CG2-O 3.44Å; V403-K408 PolarHBondContact N-O 2.83Å; V403-V410 HydrophobicContact CG2-CG1 3.91Å; V403-V410 HydrophobicContact CG2-CG2 4.34Å
404	K	97.4	Very high	95.2	Very high	99 Å²	99	42.5 Å²	42.5	43%	0.43	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.3	-172.5	-70.8	172.8	-168.6	166.3	0	114.6	R381 T382 Y383 L384 D385	R381-K404 PolarHBondContact O-NZ 3.47Å; T382-K404 PolarHBondContact O-NZ 2.91Å; Y383-K404 WeakPolarHBondContact O-CB 3.48Å; Y383-K404 WeakPolarHBondContact O-CG 3.43Å; Y383-K404 PolarHBondContact O-N 3.27Å; L384-K404 WeakPolarHBondContact O-CE 3.31Å; L384-K404 PolarHBondContact O-NZ 3.15Å; D385-K404 HydrophobicContact CB-CG 4.34Å; D385-K404 WeakPolarHBondContact OD2-CG 3.25Å
405	T	96.7	Very high	96	Very high	122 Å²	122	38 Å²	38	75%	0.748	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-19.1	-174.7	48.6	0	0	0	0	114.2	V403	V403-T405 PolarHBondContact O-N 3.05Å; V403-T405 VanDerWaalsContact O-N 3.13Å
406	T	96.9	Very high	96.6	Very high	100 Å²	100	38.5 Å²	38.5	61%	0.613	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.2	-12.8	-172.3	61.1	0	0	0	0	114.2	V403 K408	V403-T406 WeakPolarHBondContact CB-OG1 3.31Å; V403-T406 WeakPolarHBondContact CG1-OG1 3.42Å; V403-T406 PolarHBondContact O-N 2.85Å; T406-K408 PolarHBondContact O-N 2.88Å; T406-K408 WeakPolarHBondContact OG1-CB 3.47Å; T406-K408 PolarHBondContact OG1-N 3.37Å
407	G	95.7	Very high	96.8	Very high	48 Å²	48	37.8 Å²	37.8	50%	0.495	21%	0.214	S	C	.	.			trans	69.3	2.4	-170	0	0	0	0	0	114.3	V403 L409	V403-G407 WeakPolarHBondContact O-CA 3.38Å; V403-G407 PolarHBondContact O-N 3.31Å; G407-L409 PolarHBondContact O-N 3.07Å
408	K	95.8	Very high	96.7	Very high	99 Å²	99	42.3 Å²	42.3	43%	0.43	23%	0.227	S	C	.	.			trans	-64.4	131.7	-179.7	-176.2	178.2	176.2	-177	0	110.4	V403 T406 Y445	V403-K408 HydrophobicContact CB-CB 4.4Å; V403-K408 HydrophobicContact CG2-CB 4.4Å; V403-K408 WeakPolarHBondContact CG2-O 3.44Å; V403-K408 PolarHBondContact N-O 2.83Å; T406-K408 PolarHBondContact O-N 2.88Å; T406-K408 WeakPolarHBondContact OG1-CB 3.47Å; T406-K408 PolarHBondContact OG1-N 3.37Å; K408-Y445 PolarHBondContact NZ-OH 3.41Å
409	L	97.4	Very high	96.5	Very high	83 Å²	83	48.1 Å²	48.1	44%	0.435	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	137.1	171.5	-63.8	171	0	0	0	110.3	I400 A401 G407 F460	I400-L409 HydrophobicContact CD1-CB 4.15Å; I400-L409 HydrophobicContact CD1-CD1 4.06Å; I400-L409 HydrophobicContact CD1-CD2 3.95Å; I400-L409 HydrophobicContact CD1-CG 4.27Å; I400-L409 HydrophobicContact CG1-CB 4.39Å; I400-L409 HydrophobicContact CG1-CD2 4.25Å; A401-L409 WeakPolarHBondContact O-CA 3.29Å; G407-L409 PolarHBondContact O-N 3.07Å; L409-F460 HydrophobicContact CB-CB 4.45Å; L409-F460 HydrophobicContact CB-CD1 4.16Å; L409-F460 HydrophobicContact CD1-CD1 4.47Å
410	V	98.1	Very high	96.2	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152.3	176.9	-64.1	0	0	0	0	110.3	L384 I400 A401 V403 V412 Y445 V457	L384-V410 HydrophobicContact CD1-CG2 4.2Å; L384-V410 HydrophobicContact CD2-CG2 3.76Å; I400-V410 CarbonylContact C-O 3.54Å; I400-V410 WeakPolarHBondContact CA-O 3.24Å; A401-V410 HydrophobicContact CB-CG2 4.21Å; A401-V410 PolarHBondContact N-O 3.4Å; A401-V410 PolarHBondContact O-N 3.28Å; V403-V410 HydrophobicContact CG2-CG1 3.91Å; V403-V410 HydrophobicContact CG2-CG2 4.34Å; V410-V412 HydrophobicContact CG2-CG2 4.26Å; V410-Y445 HydrophobicContact CG1-CD2 4.06Å; V410-Y445 HydrophobicContact CG1-CE2 3.99Å; V410-V457 HydrophobicContact CB-CG1 4.1Å; V410-V457 HydrophobicContact CG2-CG1 3.95Å
411	A	97.8	Very high	95.6	Very high	5 Å²	5	55.6 Å²	55.6	4%	0.041	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	143.9	168.2	0	0	0	0	0	109.9	V398 C399 V457 M458	V398-A411 HydrophobicContact CG1-CB 4.32Å; C399-A411 CarbonylContact O-C 3.52Å; C399-A411 WeakPolarHBondContact O-CA 3.49Å; A411-V457 WeakPolarHBondContact O-CA 3.46Å; A411-M458 HydrophobicContact CB-CE 3.71Å; A411-M458 HydrophobicContact CB-CG 3.77Å; A411-M458 PolarHBondContact N-O 3.09Å; A411-M458 PolarHBondContact O-N 3.04Å
412	V	97.8	Very high	95	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	106.1	-179.5	-172.4	0	0	0	0	108.9	L384 Y387 C399 A401 V410 K414 W455 V456 V457	L384-V412 HydrophobicContact CD1-CG2 3.82Å; Y387-V412 HydrophobicContact CE1-CG2 4.38Å; C399-V412 PolarHBondContact N-O 3.45Å; C399-V412 PolarHBondContact O-N 2.97Å; A401-V412 HydrophobicContact CB-CG2 3.87Å; V410-V412 HydrophobicContact CG2-CG2 4.26Å; V412-K414 HydrophobicContact CG1-CG 4.04Å; V412-W455 HydrophobicContact CG1-CB 4.28Å; V412-W455 HydrophobicContact CG1-CD2 4.25Å; V412-W455 HydrophobicContact CG1-CE3 3.89Å; V412-W455 HydrophobicContact CG1-CG 4.43Å; V412-V456 CarbonylContact C-O 3.58Å; V412-V456 VanDerWaalsContact CA-O 3.29Å; V412-V456 WeakPolarHBondContact CA-O 3.34Å; V412-V457 HydrophobicContact CG1-CG2 4.41Å; V412-V457 HydrophobicContact CG2-CG1 4.48Å; V412-V457 HydrophobicContact CG2-CG2 4.37Å
413	K	96.3	Very high	94.6	Very high	6 Å²	6	60.6 Å²	60.6	3%	0.026	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	114.9	179.5	-177	173.3	172.9	-178.7	0	109.4	V398 M415 E429 W455 V456 M458 D521	V398-K413 HydrophobicContact CG2-CB 4.39Å; V398-K413 HydrophobicContact CG2-CG 4.28Å; K413-M415 HydrophobicContact CD-CE 4.42Å; K413-M415 HydrophobicContact CD-SD 4.3Å; K413-M415 HydrophobicContact CG-CE 4.12Å; K413-M415 HydrophobicContact CG-CG 4.21Å; K413-M415 HydrophobicContact CG-SD 4.12Å; K413-E429 VanDerWaalsContact CE-OE1 3.25Å; K413-E429 WeakPolarHBondContact CE-OE1 3.36Å; K413-E429 IonicContact NZ-OE1 3.86Å; K413-E429 PolarHBondContact NZ-OE1 3.15Å; K413-E429 IonicContact NZ-OE2 3.8Å; K413-E429 PolarHBondContact NZ-OE2 3.47Å; K413-W455 WeakPolarHBondContact O-CA 3.01Å; K413-V456 HydrophobicContact CB-CB 4.45Å; K413-V456 PolarHBondContact N-O 3.44Å; K413-V456 PolarHBondContact O-N 2.73Å; K413-M458 HydrophobicContact CB-CE 3.96Å; K413-D521 IonicContact NZ-OD1 3.4Å; K413-D521 PolarHBondContact NZ-OD1 3.27Å
414	K	96.9	Very high	94.1	Very high	27 Å²	27	62.3 Å²	62.3	12%	0.117	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.8	-170.1	-55.6	-175.3	179.7	-168.8	0	110.3	G396 I397 V412 L454 W455	G396-K414 CarbonylContact C-O 3.59Å; G396-K414 VanDerWaalsContact CA-O 3.23Å; G396-K414 WeakPolarHBondContact CA-O 3.25Å; I397-K414 PolarHBondContact N-O 2.98Å; I397-K414 PolarHBondContact O-N 2.87Å; V412-K414 HydrophobicContact CG1-CG 4.04Å; K414-L454 WeakPolarHBondContact CA-O 3.23Å; K414-W455 HydrophobicContact CD-CD2 3.96Å; K414-W455 HydrophobicContact CD-CE3 4.47Å; K414-W455 HydrophobicContact CD-CG 4.45Å; K414-W455 HydrophobicContact CD-CH2 4.34Å; K414-W455 HydrophobicContact CD-CZ2 3.74Å; K414-W455 HydrophobicContact CG-CD2 3.95Å; K414-W455 HydrophobicContact CG-CG 3.94Å; K414-W455 VanDerWaalsContact NZ-CZ2 3.32Å
415	M	96.2	Very high	93.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	109.9	-168.1	-62.2	171	-79.5	0	0	110	T395 K413 L417 L426 E429 E453 L454 V456	T395-M415 WeakPolarHBondContact O-CB 3.49Å; T395-M415 WeakPolarHBondContact O-CG 3.5Å; K413-M415 HydrophobicContact CD-CE 4.42Å; K413-M415 HydrophobicContact CD-SD 4.3Å; K413-M415 HydrophobicContact CG-CE 4.12Å; K413-M415 HydrophobicContact CG-CG 4.21Å; K413-M415 HydrophobicContact CG-SD 4.12Å; M415-L417 PolarHBondContact O-N 3.43Å; M415-L426 HydrophobicContact CB-CD2 3.88Å; M415-L426 HydrophobicContact CG-CD2 4.4Å; M415-L426 HydrophobicContact SD-CD2 3.79Å; M415-E429 HydrophobicContact CE-CB 4.21Å; M415-E429 HydrophobicContact CE-CG 4.05Å; M415-E429 HydrophobicContact SD-CG 3.91Å; M415-E453 CarbonylContact O-C 3.56Å; M415-E453 WeakPolarHBondContact O-CA 3.32Å; M415-L454 HydrophobicContact CB-CB 4.49Å; M415-L454 HydrophobicContact CE-CB 4.43Å; M415-L454 HydrophobicContact CE-CD2 3.72Å; M415-L454 HydrophobicContact CE-CG 3.91Å; M415-L454 PolarHBondContact N-O 2.93Å; M415-L454 PolarHBondContact O-N 3.43Å; M415-V456 HydrophobicContact CE-CB 4.34Å; M415-V456 HydrophobicContact CE-CG2 3.7Å
416	D	96	Very high	93.4	Very high	31 Å²	31	52.8 Å²	52.8	17%	0.166	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	120.9	178.7	178.1	-42.4	0	0	0	110.4	R418 K419 Q420	D416-R418 PolarHBondContact O-N 2.76Å; D416-R418 WeakPolarHBondContact OD1-CA 3.44Å; D416-R418 WeakPolarHBondContact OD1-CB 3.37Å; D416-R418 PolarHBondContact OD1-N 3.42Å; D416-K419 HydrophobicContact CB-CB 4.12Å; D416-K419 HydrophobicContact CB-CD 4.06Å; D416-K419 HydrophobicContact CB-CG 3.96Å; D416-K419 PolarHBondContact O-N 2.61Å; D416-K419 PolarHBondContact OD1-N 2.89Å; D416-K419 IonicContact OD2-NZ 3.14Å; D416-K419 PolarHBondContact OD2-NZ 3.14Å; D416-Q420 WeakPolarHBondContact O-CG 3.29Å; D416-Q420 PolarHBondContact O-NE2 2.9Å
417	L	94.4	Very high	93.1	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.2	-175.6	-86.1	65.6	0	0	0	113.7	F367 L371 M415 L426 L449 D452 L454	F367-L417 HydrophobicContact CD1-CD2 4.19Å; F367-L417 HydrophobicContact CE1-CD2 3.91Å; F367-L417 HydrophobicContact CE1-CG 3.97Å; L371-L417 HydrophobicContact CD2-CD1 4.22Å; L371-L417 HydrophobicContact CD2-CD2 4.03Å; L371-L417 HydrophobicContact CD2-CG 4.22Å; M415-L417 PolarHBondContact O-N 3.43Å; L417-L426 HydrophobicContact CD1-CD1 4.14Å; L417-L426 HydrophobicContact CG-CD1 3.99Å; L417-L449 HydrophobicContact CD1-CD1 3.92Å; L417-L449 HydrophobicContact CD2-CD1 3.88Å; L417-D452 WeakPolarHBondContact CD1-O 3.25Å; L417-D452 PolarHBondContact N-O 3.2Å; L417-L454 HydrophobicContact CD1-CB 3.95Å
418	R	92	Very high	92.5	Very high	151 Å²	151	46.4 Å²	46.4	57%	0.57	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-20.5	-179.8	-60.8	-169.6	-179.1	99.7	8.4	113.4	H364 D416 D452	H364-R418 VanDerWaalsContact CE1-CG 3.44Å; H364-R418 WeakPolarHBondContact CE1-CG 3.35Å; H364-R418 PolarHBondContact NE2-NH2 3.19Å; D416-R418 PolarHBondContact O-N 2.76Å; D416-R418 WeakPolarHBondContact OD1-CA 3.44Å; D416-R418 WeakPolarHBondContact OD1-CB 3.37Å; D416-R418 PolarHBondContact OD1-N 3.42Å; R418-D452 VanDerWaalsContact CZ-CG 3.49Å; R418-D452 IonicContact CZ-OD1 3.3Å; R418-D452 IonicContact CZ-OD2 3.84Å; R418-D452 IonicContact NH1-OD2 2.64Å; R418-D452 PolarHBondContact NH1-OD2 3.13Å; R418-D452 IonicContact NH2-OD1 2.63Å; R418-D452 PolarHBondContact NH2-OD1 3.08Å; R418-D452 IonicContact NH2-OD2 3.32Å; R418-D452 PolarHBondContact NH2-OD2 2.69Å
419	K	92.3	Very high	91.9	Very high	150 Å²	150	41.9 Å²	41.9	65%	0.652	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-16.8	179.7	-66.6	-171.7	-175.3	90	0	114	D416	D416-K419 HydrophobicContact CB-CB 4.12Å; D416-K419 HydrophobicContact CB-CD 4.06Å; D416-K419 HydrophobicContact CB-CG 3.96Å; D416-K419 PolarHBondContact O-N 2.61Å; D416-K419 PolarHBondContact OD1-N 2.89Å; D416-K419 IonicContact OD2-NZ 3.14Å; D416-K419 PolarHBondContact OD2-NZ 3.14Å
420	Q	89.8	Confident	91.4	Very high	29 Å²	29	37.9 Å²	37.9	14%	0.136	17%	0.165	C	C	.	.			trans	-65.6	133.2	-177.8	-52	-49.8	-44.9	0	0	112.3	T395 D416 R422 R423 L426	T395-Q420 PolarHBondContact O-NE2 2.81Å; D416-Q420 WeakPolarHBondContact O-CG 3.29Å; D416-Q420 PolarHBondContact O-NE2 2.9Å; Q420-R422 PolarHBondContact O-N 2.96Å; Q420-R423 HydrophobicContact CB-CB 3.84Å; Q420-R423 HydrophobicContact CG-CB 4.25Å; Q420-L426 HydrophobicContact CG-CD1 3.84Å; Q420-L426 HydrophobicContact CG-CD2 4.04Å; Q420-L426 HydrophobicContact CG-CG 4Å
421	Q	86.6	Confident	90.9	Very high	163 Å²	163	38 Å²	38	76%	0.762	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-26.7	171.2	-61.5	-59.6	-73.2	0	0	112.6
422	R	85.5	Confident	90.2	Very high	74 Å²	74	38 Å²	38	28%	0.279	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.1	75.4	179.2	-69.8	-164	66.3	-154.9	-8.1	109.1	Q420 E424 L425	Q420-R422 PolarHBondContact O-N 2.96Å; R422-E424 WeakPolarHBondContact CA-OE2 3.39Å; R422-E424 IonicContact CZ-OE1 2.91Å; R422-E424 IonicContact NE-OE1 2.84Å; R422-E424 PolarHBondContact NE-OE1 3.5Å; R422-E424 IonicContact NH2-OE1 3.99Å; R422-E424 PolarHBondContact NH2-OE1 2.84Å; R422-E424 PolarHBondContact O-N 3.21Å; R422-L425 HydrophobicContact CB-CD1 3.72Å; R422-L425 HydrophobicContact CB-CG 3.89Å; R422-L425 HydrophobicContact CG-CD1 4.49Å; R422-L425 WeakPolarHBondContact O-CB 3.35Å; R422-L425 PolarHBondContact O-N 3.28Å
423	R	89.7	Confident	89.5	Confident	63 Å²	63	38.1 Å²	38.1	24%	0.238	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-59.5	-26	-174	71.3	-178.1	-172.4	-166.3	-3.7	113.4	V362 S363 F367 Q420 L425 L426	V362-R423 PolarHBondContact O-NH2 3.01Å; S363-R423 PolarHBondContact O-NH2 3.27Å; F367-R423 HydrophobicContact CD1-CG 4.15Å; F367-R423 HydrophobicContact CD2-CG 4.09Å; F367-R423 HydrophobicContact CE1-CB 4.01Å; F367-R423 HydrophobicContact CE1-CG 3.94Å; F367-R423 HydrophobicContact CE2-CB 4.4Å; F367-R423 HydrophobicContact CE2-CG 3.88Å; F367-R423 HydrophobicContact CG-CG 4.23Å; F367-R423 HydrophobicContact CZ-CB 3.9Å; F367-R423 HydrophobicContact CZ-CG 3.82Å; F367-R423 WeakPolarHBondContact CZ-O 3.47Å; Q420-R423 HydrophobicContact CB-CB 3.84Å; Q420-R423 HydrophobicContact CG-CB 4.25Å; R423-L425 PolarHBondContact O-N 3.01Å; R423-L425 VanDerWaalsContact O-N 3.15Å; R423-L426 VanDerWaalsContact O-CB 3.27Å; R423-L426 WeakPolarHBondContact O-CB 3.49Å; R423-L426 WeakPolarHBondContact O-CG 3.12Å; R423-L426 PolarHBondContact O-N 3.03Å
424	E	87.1	Confident	89	Confident	55 Å²	55	42 Å²	42	26%	0.257	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-57.6	-24.9	174.8	69.9	-81.2	-166.4	0	0	112.9	R422 L426 F427	R422-E424 WeakPolarHBondContact CA-OE2 3.39Å; R422-E424 IonicContact CZ-OE1 2.91Å; R422-E424 IonicContact NE-OE1 2.84Å; R422-E424 PolarHBondContact NE-OE1 3.5Å; R422-E424 IonicContact NH2-OE1 3.99Å; R422-E424 PolarHBondContact NH2-OE1 2.84Å; R422-E424 PolarHBondContact O-N 3.21Å; E424-L426 PolarHBondContact O-N 3.36Å; E424-F427 PolarHBondContact O-N 3.33Å
425	L	88.8	Confident	88.5	Confident	17 Å²	17	43.9 Å²	43.9	9%	0.089	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-72.7	-12.9	175.7	-60.2	-177.6	0	0	0	113.6	R422 R423 F427 N428 G523 F524 V539	R422-L425 HydrophobicContact CB-CD1 3.72Å; R422-L425 HydrophobicContact CB-CG 3.89Å; R422-L425 HydrophobicContact CG-CD1 4.49Å; R422-L425 WeakPolarHBondContact O-CB 3.35Å; R422-L425 PolarHBondContact O-N 3.28Å; R423-L425 PolarHBondContact O-N 3.01Å; R423-L425 VanDerWaalsContact O-N 3.15Å; L425-F427 PolarHBondContact O-N 2.82Å; L425-N428 VanDerWaalsContact O-CB 3.32Å; L425-N428 WeakPolarHBondContact O-CB 3.47Å; L425-N428 PolarHBondContact O-N 3.07Å; L425-N428 VanDerWaalsContact O-N 3.08Å; L425-N428 PolarHBondContact O-ND2 2.99Å; L425-G523 WeakPolarHBondContact CB-O 3.4Å; L425-F524 HydrophobicContact CD1-CD1 3.92Å; L425-F524 HydrophobicContact CD1-CE1 4.27Å; L425-V539 HydrophobicContact CD1-CG1 4.37Å
426	L	90.9	Very high	87.8	Confident	3 Å²	3	46 Å²	46	2%	0.016	20%	0.199	C	C	.	.	H	α-helix	trans	-64.7	-24.5	175.2	-67.8	179.9	0	0	0	113	F367 M415 L417 Q420 R423 E424 N428 E429 L454	F367-L426 HydrophobicContact CE1-CD1 4.41Å; F367-L426 HydrophobicContact CZ-CB 4.48Å; F367-L426 HydrophobicContact CZ-CD1 4.31Å; M415-L426 HydrophobicContact CB-CD2 3.88Å; M415-L426 HydrophobicContact CG-CD2 4.4Å; M415-L426 HydrophobicContact SD-CD2 3.79Å; L417-L426 HydrophobicContact CD1-CD1 4.14Å; L417-L426 HydrophobicContact CG-CD1 3.99Å; Q420-L426 HydrophobicContact CG-CD1 3.84Å; Q420-L426 HydrophobicContact CG-CD2 4.04Å; Q420-L426 HydrophobicContact CG-CG 4Å; R423-L426 VanDerWaalsContact O-CB 3.27Å; R423-L426 WeakPolarHBondContact O-CB 3.49Å; R423-L426 WeakPolarHBondContact O-CG 3.12Å; R423-L426 PolarHBondContact O-N 3.03Å; E424-L426 PolarHBondContact O-N 3.36Å; L426-N428 PolarHBondContact O-N 3.28Å; L426-E429 PolarHBondContact O-N 2.74Å; L426-L454 HydrophobicContact CB-CD2 3.96Å; L426-L454 HydrophobicContact CD2-CD2 4.32Å
427	F	89.4	Confident	87.5	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.013	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-29	173.1	-75.3	-77.6	0	0	0	112.1	L85 F88 F367 A370 L371 V374 E424 L425 V430 V431	L85-F427 HydrophobicContact CD2-CB 3.62Å; L85-F427 HydrophobicContact CD2-CG 4.43Å; F88-F427 HydrophobicContact CD2-CD2 4.3Å; F88-F427 AromaticContact CD2-CE2 3.79Å; F88-F427 HydrophobicContact CD2-CE2 3.79Å; F88-F427 HydrophobicContact CD2-CZ 4.2Å; F88-F427 AromaticContact CE2-CE2 3.61Å; F88-F427 HydrophobicContact CE2-CE2 3.61Å; F88-F427 AromaticContact CE2-CZ 3.64Å; F88-F427 HydrophobicContact CE2-CZ 3.64Å; F88-F427 HydrophobicContact CZ-CE2 4.22Å; F88-F427 HydrophobicContact CZ-CZ 4.3Å; F367-F427 HydrophobicContact CD2-CE2 4.09Å; F367-F427 HydrophobicContact CE2-CD2 4.1Å; F367-F427 AromaticContact CE2-CE2 3.54Å; F367-F427 HydrophobicContact CE2-CE2 3.54Å; F367-F427 HydrophobicContact CE2-CZ 4.39Å; F367-F427 HydrophobicContact CZ-CE2 4.35Å; A370-F427 HydrophobicContact CB-CZ 3.89Å; L371-F427 HydrophobicContact CB-CE1 4.31Å; L371-F427 HydrophobicContact CB-CZ 4.23Å; L371-F427 HydrophobicContact CD1-CD1 3.73Å; L371-F427 HydrophobicContact CD1-CE1 3.72Å; L371-F427 HydrophobicContact CD1-CG 4.12Å; L371-F427 HydrophobicContact CD1-CZ 4.12Å; V374-F427 HydrophobicContact CG1-CD1 4.1Å; V374-F427 HydrophobicContact CG1-CE1 3.95Å; V374-F427 HydrophobicContact CG2-CD1 3.82Å; V374-F427 HydrophobicContact CG2-CE1 3.93Å; E424-F427 PolarHBondContact O-N 3.33Å; L425-F427 PolarHBondContact O-N 2.82Å; F427-V430 PolarHBondContact O-N 3.38Å; F427-V431 WeakPolarHBondContact O-CB 3.27Å; F427-V431 WeakPolarHBondContact O-CG2 3.39Å; F427-V431 PolarHBondContact O-N 2.76Å
428	N	84.3	Confident	87.6	Confident	12 Å²	12	53.5 Å²	53.5	6%	0.064	23%	0.233	C	C	.	.	H	α-helix	trans	-66.8	-42.2	-179.6	-60	-38.6	0	0	0	112.3	L425 L426 V430 I432 F522 G523 C525	L425-N428 VanDerWaalsContact O-CB 3.32Å; L425-N428 WeakPolarHBondContact O-CB 3.47Å; L425-N428 PolarHBondContact O-N 3.07Å; L425-N428 VanDerWaalsContact O-N 3.08Å; L425-N428 PolarHBondContact O-ND2 2.99Å; L426-N428 PolarHBondContact O-N 3.28Å; N428-V430 PolarHBondContact O-N 2.83Å; N428-I432 HydrophobicContact CB-CG1 4.23Å; N428-I432 VanDerWaalsContact O-CB 3.24Å; N428-I432 WeakPolarHBondContact O-CB 3.29Å; N428-I432 WeakPolarHBondContact O-CG1 3.47Å; N428-I432 PolarHBondContact O-N 3.45Å; N428-F522 WeakPolarHBondContact CB-O 3.37Å; N428-G523 PolarHBondContact ND2-O 3.22Å; N428-C525 HydrophobicContact CB-CB 4.36Å; N428-C525 PolarHBondContact ND2-O 3.06Å
429	E	83.3	Confident	87.8	Confident	3 Å²	3	52.7 Å²	52.7	1%	0.014	24%	0.24	C	C	.	.	H	α-helix	trans	-57.9	-30.7	179	-57	-85.7	-167.5	0	0	111.5	K413 M415 L426 M433 V456 G523	K413-E429 VanDerWaalsContact CE-OE1 3.25Å; K413-E429 WeakPolarHBondContact CE-OE1 3.36Å; K413-E429 IonicContact NZ-OE1 3.86Å; K413-E429 PolarHBondContact NZ-OE1 3.15Å; K413-E429 IonicContact NZ-OE2 3.8Å; K413-E429 PolarHBondContact NZ-OE2 3.47Å; M415-E429 HydrophobicContact CE-CB 4.21Å; M415-E429 HydrophobicContact CE-CG 4.05Å; M415-E429 HydrophobicContact SD-CG 3.91Å; L426-E429 PolarHBondContact O-N 2.74Å; E429-M433 WeakPolarHBondContact O-CG 3.46Å; E429-V456 HydrophobicContact CB-CG2 4.31Å; E429-G523 WeakPolarHBondContact OE1-CA 3.43Å; E429-G523 PolarHBondContact OE1-N 2.71Å; E429-G523 PolarHBondContact OE2-N 3.13Å
430	V	87.1	Confident	88.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-88.8	-56.8	179.3	-178.6	0	0	0	0	111.4	V374 V375 F427 N428 R434 S447 L454 V456	V374-V430 HydrophobicContact CG2-CB 4.48Å; V374-V430 HydrophobicContact CG2-CG1 4.17Å; V375-V430 HydrophobicContact CG1-CG2 4.27Å; F427-V430 PolarHBondContact O-N 3.38Å; N428-V430 PolarHBondContact O-N 2.83Å; V430-R434 VanDerWaalsContact O-CB 3.24Å; V430-R434 WeakPolarHBondContact O-CB 3.05Å; V430-R434 PolarHBondContact O-N 3.4Å; V430-R434 VanDerWaalsContact O-N 3.12Å; V430-S447 WeakPolarHBondContact CG1-OG 3.21Å; V430-L454 HydrophobicContact CG2-CD1 4.04Å; V430-L454 HydrophobicContact CG2-CD2 4Å; V430-V456 HydrophobicContact CG2-CG2 4.44Å
431	V	86.7	Confident	88.4	Confident	6 Å²	6	45.2 Å²	45.2	4%	0.036	21%	0.209	C	C	.	.	H	α-helix	trans	-69.7	-44.3	-170.1	179.6	0	0	0	0	111.3	L85 F427 R434 D435	L85-V431 HydrophobicContact CD1-CB 4.5Å; L85-V431 HydrophobicContact CD1-CG1 4.12Å; F427-V431 WeakPolarHBondContact O-CB 3.27Å; F427-V431 WeakPolarHBondContact O-CG2 3.39Å; F427-V431 PolarHBondContact O-N 2.76Å; V431-R434 PolarHBondContact O-N 2.84Å; V431-D435 WeakPolarHBondContact CG1-OD2 3.44Å; V431-D435 VanDerWaalsContact O-CB 3.32Å; V431-D435 WeakPolarHBondContact O-CB 3.24Å; V431-D435 VanDerWaalsContact O-CG 3.27Å; V431-D435 PolarHBondContact O-N 3.3Å
432	I	83.5	Confident	88.8	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.015	17%	0.173	C	C	.	.	H	α-helix	trans	-68.2	-42.1	-177.5	-54.4	-61.4	0	0	0	110.9	N428 R434 Y436 V499 F522 C525	N428-I432 HydrophobicContact CB-CG1 4.23Å; N428-I432 VanDerWaalsContact O-CB 3.24Å; N428-I432 WeakPolarHBondContact O-CB 3.29Å; N428-I432 WeakPolarHBondContact O-CG1 3.47Å; N428-I432 PolarHBondContact O-N 3.45Å; I432-R434 VanDerWaalsContact C-N 3.33Å; I432-R434 PolarHBondContact O-N 3.16Å; I432-Y436 HydrophobicContact CB-CD2 4.47Å; I432-Y436 HydrophobicContact CD1-CE2 4.08Å; I432-Y436 HydrophobicContact CG2-CD2 3.88Å; I432-Y436 HydrophobicContact CG2-CE2 4.45Å; I432-Y436 WeakPolarHBondContact O-CB 3.49Å; I432-Y436 VanDerWaalsContact O-CD2 3.32Å; I432-Y436 WeakPolarHBondContact O-CD2 3.36Å; I432-Y436 PolarHBondContact O-N 3.32Å; I432-V499 HydrophobicContact CD1-CG1 4.38Å; I432-V499 HydrophobicContact CD1-CG2 4.19Å; I432-V499 HydrophobicContact CG2-CG1 4.02Å; I432-F522 HydrophobicContact CB-CB 4.44Å; I432-F522 HydrophobicContact CG2-CB 4.36Å; I432-F522 HydrophobicContact CG2-CD1 3.65Å; I432-F522 HydrophobicContact CG2-CE1 4.4Å; I432-F522 HydrophobicContact CG2-CG 4.27Å; I432-C525 HydrophobicContact CG1-CB 4.12Å
433	M	82.9	Confident	89.2	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.02	18%	0.179	C	C	.	.	H	α-helix	trans	-76.3	-18.9	-179.1	-60.4	-171.6	71.7	0	0	113.9	E429 V442 M444 F522	E429-M433 WeakPolarHBondContact O-CG 3.46Å; M433-V442 HydrophobicContact CE-CB 3.83Å; M433-V442 HydrophobicContact CE-CG1 3.66Å; M433-V442 WeakPolarHBondContact CE-O 3.39Å; M433-M444 HydrophobicContact CB-CB 3.73Å; M433-M444 HydrophobicContact CB-SD 4.27Å; M433-M444 HydrophobicContact CE-CB 4.26Å; M433-F522 HydrophobicContact CE-CD2 4.04Å; M433-F522 HydrophobicContact CE-CE2 4.28Å; M433-F522 HydrophobicContact CG-CB 3.97Å; M433-F522 HydrophobicContact CG-CD2 3.53Å; M433-F522 HydrophobicContact CG-CE2 4.29Å; M433-F522 HydrophobicContact CG-CG 3.84Å; M433-F522 HydrophobicContact SD-CB 4.43Å; M433-F522 HydrophobicContact SD-CD2 3.7Å; M433-F522 HydrophobicContact SD-CG 4.42Å
434	R	86.3	Confident	89.5	Confident	87 Å²	87	35.9 Å²	35.9	33%	0.328	17%	0.171	S	C	.	.	H	α-helix	trans	-83.7	-41.7	173.4	-167.4	-169.7	64.8	-162.4	-5.5	112.2	V430 V431 I432 H437 M444	V430-R434 VanDerWaalsContact O-CB 3.24Å; V430-R434 WeakPolarHBondContact O-CB 3.05Å; V430-R434 PolarHBondContact O-N 3.4Å; V430-R434 VanDerWaalsContact O-N 3.12Å; V431-R434 PolarHBondContact O-N 2.84Å; I432-R434 VanDerWaalsContact C-N 3.33Å; I432-R434 PolarHBondContact O-N 3.16Å; R434-H437 PolarHBondContact O-NE2 2.91Å; R434-M444 HydrophobicContact CB-CE 3.61Å; R434-M444 HydrophobicContact CG-CE 4.21Å
435	D	85	Confident	89.9	Confident	66 Å²	66	36.3 Å²	36.3	35%	0.353	17%	0.171	S	C	.	.	H	α-helix	trans	-89.6	-10.5	-169.5	-60.3	-3.5	0	0	0	112.1	V431	V431-D435 WeakPolarHBondContact CG1-OD2 3.44Å; V431-D435 VanDerWaalsContact O-CB 3.32Å; V431-D435 WeakPolarHBondContact O-CB 3.24Å; V431-D435 VanDerWaalsContact O-CG 3.27Å; V431-D435 PolarHBondContact O-N 3.3Å
436	Y	83.4	Confident	90.2	Very high	44 Å²	44	37.7 Å²	37.7	17%	0.173	18%	0.178	C	C	.	.			trans	-131.5	97.9	-178.5	-55.5	-64.7	0	0	0	114.1	I432 L494 Q497 V499 Q527	I432-Y436 HydrophobicContact CB-CD2 4.47Å; I432-Y436 HydrophobicContact CD1-CE2 4.08Å; I432-Y436 HydrophobicContact CG2-CD2 3.88Å; I432-Y436 HydrophobicContact CG2-CE2 4.45Å; I432-Y436 WeakPolarHBondContact O-CB 3.49Å; I432-Y436 VanDerWaalsContact O-CD2 3.32Å; I432-Y436 WeakPolarHBondContact O-CD2 3.36Å; I432-Y436 PolarHBondContact O-N 3.32Å; Y436-L494 HydrophobicContact CG-CD2 4.43Å; Y436-Q497 HydrophobicContact CD1-CB 4.38Å; Y436-Q497 HydrophobicContact CD1-CG 4.33Å; Y436-Q497 HydrophobicContact CE1-CB 3.67Å; Y436-Q497 VanDerWaalsContact CE1-CD 3.42Å; Y436-Q497 HydrophobicContact CE1-CG 3.87Å; Y436-V499 HydrophobicContact CD2-CG2 3.94Å; Y436-V499 HydrophobicContact CE2-CG2 3.35Å; Y436-Q527 PolarHBondContact OH-OE1 3.47Å
437	H	89.3	Confident	90.5	Very high	135 Å²	135	37.6 Å²	37.6	63%	0.625	18%	0.178	S	C	*	.			trans	-97.4	136	173	-58	-52.2	0	0	0	112.3	R434	R434-H437 PolarHBondContact O-NE2 2.91Å
438	H	95.5	Very high	90.9	Very high	55 Å²	55	38.3 Å²	38.3	26%	0.255	18%	0.181	S	C	.	.			trans	-160.8	147.9	177.9	177.5	-102.9	0	0	0	111.6	N440 V441	H438-N440 PolarHBondContact CE1-OD1 3.44Å; H438-N440 PolarHBondContact ND1-N 3.19Å; H438-N440 VanDerWaalsContact ND1-N 3.15Å; H438-N440 PolarHBondContact O-N 3.04Å; H438-V441 HydrophobicContact CB-CB 4.19Å; H438-V441 HydrophobicContact CB-CG2 4.01Å; H438-V441 PolarHBondContact O-N 3.01Å
439	D	96.6	Very high	91.6	Very high	134 Å²	134	38.4 Å²	38.4	72%	0.717	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-28.9	-176.8	-75.3	-17.4	0	0	0	114.9	K518	D439-K518 WeakPolarHBondContact O-CE 3.5Å
440	N	98.1	Very high	92.2	Very high	16 Å²	16	38.8 Å²	38.8	9%	0.086	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	23.8	178	-55.7	119.3	0	0	0	113.3	H438 S486 K489 A490 V517 K518 L519	H438-N440 PolarHBondContact CE1-OD1 3.44Å; H438-N440 PolarHBondContact ND1-N 3.19Å; H438-N440 VanDerWaalsContact ND1-N 3.15Å; H438-N440 PolarHBondContact O-N 3.04Å; N440-S486 WeakPolarHBondContact CB-O 3.46Å; N440-S486 WeakPolarHBondContact ND2-CB 3.41Å; N440-S486 PolarHBondContact OD1-O 2.8Å; N440-K489 WeakPolarHBondContact OD1-CD 3.16Å; N440-A490 HydrophobicContact CB-CB 4.13Å; N440-V517 PolarHBondContact ND2-O 2.73Å; N440-K518 WeakPolarHBondContact O-CA 3.21Å; N440-L519 WeakPolarHBondContact O-CB 3.33Å; N440-L519 PolarHBondContact O-N 2.93Å
441	V	96.2	Very high	92.6	Very high	7 Å²	7	41 Å²	41	4%	0.042	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-122.3	146.8	172.9	166.4	0	0	0	0	109	H438 E443 A490 K518 F522	H438-V441 HydrophobicContact CB-CB 4.19Å; H438-V441 HydrophobicContact CB-CG2 4.01Å; H438-V441 PolarHBondContact O-N 3.01Å; V441-E443 PolarHBondContact O-N 2.86Å; V441-A490 HydrophobicContact CG2-CB 3.9Å; V441-K518 WeakPolarHBondContact O-CD 3.43Å; V441-K518 WeakPolarHBondContact O-CE 3.46Å; V441-F522 HydrophobicContact CB-CZ 4.41Å; V441-F522 HydrophobicContact CG1-CE2 3.96Å; V441-F522 HydrophobicContact CG1-CZ 3.62Å; V441-F522 HydrophobicContact CG2-CZ 4.17Å
442	V	95.4	Very high	93.1	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.018	22%	0.216	C	C	.	.			trans	-67.7	124.9	173.4	172.4	0	0	0	0	110.6	M433 M444 M458 E459 L461 L510 K518 L519	M433-V442 HydrophobicContact CE-CB 3.83Å; M433-V442 HydrophobicContact CE-CG1 3.66Å; M433-V442 WeakPolarHBondContact CE-O 3.39Å; V442-M444 PolarHBondContact O-N 3.35Å; V442-M458 HydrophobicContact CG1-CB 4.04Å; V442-M458 HydrophobicContact CG1-CG 4.21Å; V442-M458 HydrophobicContact CG1-SD 4.19Å; V442-E459 WeakPolarHBondContact CA-OE1 3.39Å; V442-E459 HydrophobicContact CG1-CG 4.19Å; V442-L461 HydrophobicContact CG2-CD1 3.78Å; V442-L510 HydrophobicContact CG2-CD1 4.22Å; V442-K518 HydrophobicContact CG2-CB 4.18Å; V442-L519 WeakPolarHBondContact CG2-O 3.25Å; V442-L519 PolarHBondContact N-O 3.38Å
443	E	94.4	Very high	93.7	Very high	84 Å²	84	45.9 Å²	45.9	39%	0.393	23%	0.23	S	C	.	.			trans	-73.1	114.5	176	-176.7	-175	-149.7	0	0	110.7	V441 Y445 M458 E459	V441-E443 PolarHBondContact O-N 2.86Å; E443-Y445 HydrophobicContact CG-CD1 4.28Å; E443-Y445 HydrophobicContact CG-CE1 3.77Å; E443-Y445 WeakPolarHBondContact OE2-CE1 3.35Å; E443-Y445 PolarHBondContact OE2-OH 3.23Å; E443-M458 CarbonylContact O-C 3.58Å; E443-M458 VanDerWaalsContact O-CA 3.22Å; E443-M458 WeakPolarHBondContact O-CA 3.42Å; E443-M458 VanDerWaalsContact O-CB 3.26Å; E443-M458 WeakPolarHBondContact O-CB 3.3Å; E443-E459 HydrophobicContact CB-CB 4.36Å; E443-E459 HydrophobicContact CB-CG 4.3Å; E443-E459 WeakPolarHBondContact CB-OE1 3.32Å; E443-E459 PolarHBondContact N-OE1 2.84Å; E443-E459 PolarHBondContact O-N 3.5Å
444	M	95.1	Very high	94.4	Very high	16 Å²	16	45.7 Å²	45.7	8%	0.079	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.9	163.5	-177.1	-179.6	76.3	0	0	109.8	M433 R434 V442 V456 V457	M433-M444 HydrophobicContact CB-CB 3.73Å; M433-M444 HydrophobicContact CB-SD 4.27Å; M433-M444 HydrophobicContact CE-CB 4.26Å; R434-M444 HydrophobicContact CB-CE 3.61Å; R434-M444 HydrophobicContact CG-CE 4.21Å; V442-M444 PolarHBondContact O-N 3.35Å; M444-V456 HydrophobicContact CG-CG1 3.83Å; M444-V456 HydrophobicContact SD-CG1 3.69Å; M444-V457 WeakPolarHBondContact CG-O 3.46Å
445	Y	95.1	Very high	95	Very high	65 Å²	65	42.3 Å²	42.3	26%	0.255	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-49.4	171.1	-62.4	-52.5	0	0	0	112	K408 V410 E443 V457 E459	K408-Y445 PolarHBondContact NZ-OH 3.41Å; V410-Y445 HydrophobicContact CG1-CD2 4.06Å; V410-Y445 HydrophobicContact CG1-CE2 3.99Å; E443-Y445 HydrophobicContact CG-CD1 4.28Å; E443-Y445 HydrophobicContact CG-CE1 3.77Å; E443-Y445 WeakPolarHBondContact OE2-CE1 3.35Å; E443-Y445 PolarHBondContact OE2-OH 3.23Å; Y445-V457 HydrophobicContact CD2-CG1 4.48Å; Y445-V457 PolarHBondContact N-O 2.85Å; Y445-E459 HydrophobicContact CE2-CB 4.19Å; Y445-E459 WeakPolarHBondContact OH-CB 3.22Å
446	N	95.8	Very high	95.5	Very high	45 Å²	45	39.1 Å²	39.1	24%	0.241	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	165.3	-174.1	-70.3	115.5	0	0	0	111.3	D376 Y448 V457	D376-N446 VanDerWaalsContact CG-ND2 3.27Å; D376-N446 PolarHBondContact OD1-ND2 3.09Å; D376-N446 WeakPolarHBondContact OD2-CA 3.33Å; D376-N446 WeakPolarHBondContact OD2-CB 3.46Å; D376-N446 PolarHBondContact OD2-ND2 2.98Å; N446-Y448 HydrophobicContact CB-CD2 4.28Å; N446-Y448 HydrophobicContact CB-CE2 3.38Å; N446-V457 HydrophobicContact CB-CB 4.49Å; N446-V457 PolarHBondContact N-O 2.82Å; N446-V457 PolarHBondContact O-N 2.79Å
447	S	97.3	Very high	96.2	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.014	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145.4	169.9	63.3	0	0	0	0	111	V375 D376 V430 W455	V375-S447 WeakPolarHBondContact CA-OG 3.36Å; V375-S447 WeakPolarHBondContact CB-O 3.49Å; D376-S447 WeakPolarHBondContact CA-O 3.48Å; D376-S447 VanDerWaalsContact CB-O 3.25Å; D376-S447 WeakPolarHBondContact CB-O 3.26Å; D376-S447 PolarHBondContact N-O 3.16Å; D376-S447 PolarHBondContact OD2-N 2.67Å; V430-S447 WeakPolarHBondContact CG1-OG 3.21Å; S447-W455 CarbonylContact C-O 3.59Å; S447-W455 WeakPolarHBondContact CA-O 3.37Å
448	Y	98.1	Very high	96.5	Very high	18 Å²	18	31.2 Å²	31.2	7%	0.071	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.2	-175	-58.5	-87	0	0	0	112.2	D376 P380 Y383 N446 W455 V457	D376-Y448 HydrophobicContact CB-CD1 3.98Å; D376-Y448 HydrophobicContact CB-CE1 3.61Å; P380-Y448 HydrophobicContact CB-CD2 3.7Å; P380-Y448 HydrophobicContact CB-CE2 3.82Å; P380-Y448 HydrophobicContact CB-CG 4.23Å; P380-Y448 HydrophobicContact CG-CD2 3.67Å; P380-Y448 HydrophobicContact CG-CE2 4.31Å; P380-Y448 HydrophobicContact CG-CG 3.86Å; Y383-Y448 HydrophobicContact CE1-CE2 4.18Å; Y383-Y448 AromaticContact CE1-CZ 3.88Å; Y383-Y448 WeakPolarHBondContact CE1-OH 3.33Å; Y383-Y448 VanDerWaalsContact OH-CE2 3.26Å; Y383-Y448 WeakPolarHBondContact OH-CE2 3.4Å; Y383-Y448 PolarHBondContact OH-OH 3.36Å; Y383-Y448 VanDerWaalsContact OH-OH 3.07Å; N446-Y448 HydrophobicContact CB-CD2 4.28Å; N446-Y448 HydrophobicContact CB-CE2 3.38Å; Y448-W455 PolarHBondContact N-O 3.09Å; Y448-W455 PolarHBondContact O-N 2.76Å; Y448-V457 HydrophobicContact CD2-CG2 4.15Å; Y448-V457 HydrophobicContact CE2-CG2 4.08Å
449	L	97.9	Very high	96.6	Very high	13 Å²	13	29.8 Å²	29.8	7%	0.068	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	93.4	176.1	-173.1	64.2	0	0	0	111.2	R368 L371 Q372 V375 L417	R368-L449 HydrophobicContact CG-CD2 3.76Å; L371-L449 HydrophobicContact CD2-CD1 4.34Å; Q372-L449 HydrophobicContact CB-CD2 4.02Å; V375-L449 HydrophobicContact CG2-CB 4.17Å; L417-L449 HydrophobicContact CD1-CD1 3.92Å; L417-L449 HydrophobicContact CD2-CD1 3.88Å
450	V	97.6	Very high	96.6	Very high	12 Å²	12	25.8 Å²	25.8	7%	0.073	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	95.1	-170.7	-172.8	0	0	0	0	110.1	P380 E453 W455	P380-V450 HydrophobicContact CG-CG2 3.76Å; V450-E453 PolarHBondContact N-O 2.82Å; V450-E453 PolarHBondContact O-N 3.28Å; V450-W455 HydrophobicContact CB-CD2 3.98Å; V450-W455 HydrophobicContact CB-CG 4.1Å; V450-W455 HydrophobicContact CB-CZ2 4.3Å; V450-W455 HydrophobicContact CG1-CD2 4.4Å; V450-W455 HydrophobicContact CG1-CH2 4.25Å; V450-W455 HydrophobicContact CG1-CZ2 3.93Å; V450-W455 HydrophobicContact CG2-CB 4.15Å; V450-W455 HydrophobicContact CG2-CD2 3.7Å; V450-W455 HydrophobicContact CG2-CE3 4.01Å; V450-W455 HydrophobicContact CG2-CG 3.78Å
451	G	95.4	Very high	96.5	Very high	46 Å²	46	25.6 Å²	25.6	47%	0.474	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	-139.8	-165.6	0	0	0	0	0	109.5	R368 E453	R368-G451 VanDerWaalsContact CZ-O 3.25Å; R368-G451 VanDerWaalsContact NH1-C 3.32Å; R368-G451 PolarHBondContact NH1-O 2.76Å; R368-G451 PolarHBondContact NH2-O 2.96Å; G451-E453 PolarHBondContact O-N 2.6Å
452	D	95.5	Very high	96.4	Very high	46 Å²	46	28.3 Å²	28.3	25%	0.246	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	28.2	175.3	-71.1	-62.4	0	0	0	114	H364 R368 L417 R418	H364-D452 IonicContact CD2-OD1 2.57Å; H364-D452 IonicContact CE1-OD1 2.9Å; H364-D452 IonicContact NE2-OD1 3.79Å; H364-D452 PolarHBondContact NE2-OD1 3.38Å; R368-D452 IonicContact CZ-OD1 3.28Å; R368-D452 IonicContact NH1-OD1 3.73Å; R368-D452 PolarHBondContact NH1-OD1 2.56Å; L417-D452 WeakPolarHBondContact CD1-O 3.25Å; L417-D452 PolarHBondContact N-O 3.2Å; R418-D452 VanDerWaalsContact CZ-CG 3.49Å; R418-D452 IonicContact CZ-OD1 3.3Å; R418-D452 IonicContact CZ-OD2 3.84Å; R418-D452 IonicContact NH1-OD2 2.64Å; R418-D452 PolarHBondContact NH1-OD2 3.13Å; R418-D452 IonicContact NH2-OD1 2.63Å; R418-D452 PolarHBondContact NH2-OD1 3.08Å; R418-D452 IonicContact NH2-OD2 3.32Å; R418-D452 PolarHBondContact NH2-OD2 2.69Å
453	E	97.3	Very high	96.3	Very high	66 Å²	66	28.8 Å²	28.8	31%	0.308	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.6	173.7	-58.1	-175.1	152.8	0	0	111.5	M415 V450 G451 W455	M415-E453 CarbonylContact O-C 3.56Å; M415-E453 WeakPolarHBondContact O-CA 3.32Å; V450-E453 PolarHBondContact N-O 2.82Å; V450-E453 PolarHBondContact O-N 3.28Å; G451-E453 PolarHBondContact O-N 2.6Å; E453-W455 PolarHBondContact OE2-NE1 2.94Å
454	L	97.3	Very high	96.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.3	163.1	174.2	64.3	0	0	0	108	L371 V375 K414 M415 L417 L426 V430 V456	L371-L454 HydrophobicContact CD2-CB 4.28Å; L371-L454 HydrophobicContact CD2-CD1 4.39Å; L371-L454 HydrophobicContact CD2-CD2 4.36Å; V375-L454 HydrophobicContact CG1-CD1 3.64Å; K414-L454 WeakPolarHBondContact CA-O 3.23Å; M415-L454 HydrophobicContact CB-CB 4.49Å; M415-L454 HydrophobicContact CE-CB 4.43Å; M415-L454 HydrophobicContact CE-CD2 3.72Å; M415-L454 HydrophobicContact CE-CG 3.91Å; M415-L454 PolarHBondContact N-O 2.93Å; M415-L454 PolarHBondContact O-N 3.43Å; L417-L454 HydrophobicContact CD1-CB 3.95Å; L426-L454 HydrophobicContact CB-CD2 3.96Å; L426-L454 HydrophobicContact CD2-CD2 4.32Å; V430-L454 HydrophobicContact CG2-CD1 4.04Å; V430-L454 HydrophobicContact CG2-CD2 4Å; L454-V456 HydrophobicContact CD2-CG2 4.39Å; L454-V456 HydrophobicContact CG-CG2 4.26Å
455	W	97.9	Very high	96.3	Very high	15 Å²	15	26 Å²	26	6%	0.057	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	110.4	176.9	-74.9	28.4	0	0	0	108.9	P380 R381 Y387 V412 K413 K414 S447 Y448 V450 E453	P380-W455 HydrophobicContact CG-CD2 4.47Å; P380-W455 HydrophobicContact CG-CE3 3.61Å; P380-W455 HydrophobicContact CG-CZ3 4.1Å; R381-W455 HydrophobicContact CG-CH2 3.81Å; R381-W455 HydrophobicContact CG-CZ3 3.79Å; Y387-W455 HydrophobicContact CE1-CH2 4.45Å; Y387-W455 AromaticContact CE1-CZ3 3.82Å; Y387-W455 HydrophobicContact CE1-CZ3 3.82Å; Y387-W455 AromaticContact CZ-CZ3 3.73Å; Y387-W455 WeakPolarHBondContact OH-CZ3 3.48Å; V412-W455 HydrophobicContact CG1-CB 4.28Å; V412-W455 HydrophobicContact CG1-CD2 4.25Å; V412-W455 HydrophobicContact CG1-CE3 3.89Å; V412-W455 HydrophobicContact CG1-CG 4.43Å; K413-W455 WeakPolarHBondContact O-CA 3.01Å; K414-W455 HydrophobicContact CD-CD2 3.96Å; K414-W455 HydrophobicContact CD-CE3 4.47Å; K414-W455 HydrophobicContact CD-CG 4.45Å; K414-W455 HydrophobicContact CD-CH2 4.34Å; K414-W455 HydrophobicContact CD-CZ2 3.74Å; K414-W455 HydrophobicContact CG-CD2 3.95Å; K414-W455 HydrophobicContact CG-CG 3.94Å; K414-W455 VanDerWaalsContact NZ-CZ2 3.32Å; S447-W455 CarbonylContact C-O 3.59Å; S447-W455 WeakPolarHBondContact CA-O 3.37Å; Y448-W455 PolarHBondContact N-O 3.09Å; Y448-W455 PolarHBondContact O-N 2.76Å; V450-W455 HydrophobicContact CB-CD2 3.98Å; V450-W455 HydrophobicContact CB-CG 4.1Å; V450-W455 HydrophobicContact CB-CZ2 4.3Å; V450-W455 HydrophobicContact CG1-CD2 4.4Å; V450-W455 HydrophobicContact CG1-CH2 4.25Å; V450-W455 HydrophobicContact CG1-CZ2 3.93Å; V450-W455 HydrophobicContact CG2-CB 4.15Å; V450-W455 HydrophobicContact CG2-CD2 3.7Å; V450-W455 HydrophobicContact CG2-CE3 4.01Å; V450-W455 HydrophobicContact CG2-CG 3.78Å; E453-W455 PolarHBondContact OE2-NE1 2.94Å
456	V	97	Very high	96.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.6	172.9	174	0	0	0	0	108.8	V412 K413 M415 E429 V430 M444 L454	V412-V456 CarbonylContact C-O 3.58Å; V412-V456 VanDerWaalsContact CA-O 3.29Å; V412-V456 WeakPolarHBondContact CA-O 3.34Å; K413-V456 HydrophobicContact CB-CB 4.45Å; K413-V456 PolarHBondContact N-O 3.44Å; K413-V456 PolarHBondContact O-N 2.73Å; M415-V456 HydrophobicContact CE-CB 4.34Å; M415-V456 HydrophobicContact CE-CG2 3.7Å; E429-V456 HydrophobicContact CB-CG2 4.31Å; V430-V456 HydrophobicContact CG2-CG2 4.44Å; M444-V456 HydrophobicContact CG-CG1 3.83Å; M444-V456 HydrophobicContact SD-CG1 3.69Å; L454-V456 HydrophobicContact CD2-CG2 4.39Å; L454-V456 HydrophobicContact CG-CG2 4.26Å
457	V	97.4	Very high	96.4	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.9	-179.9	-174	0	0	0	0	108.5	L384 V410 A411 V412 M444 Y445 N446 Y448	L384-V457 HydrophobicContact CD1-CG1 4.25Å; L384-V457 HydrophobicContact CD1-CG2 4.15Å; V410-V457 HydrophobicContact CB-CG1 4.1Å; V410-V457 HydrophobicContact CG2-CG1 3.95Å; A411-V457 WeakPolarHBondContact O-CA 3.46Å; V412-V457 HydrophobicContact CG1-CG2 4.41Å; V412-V457 HydrophobicContact CG2-CG1 4.48Å; V412-V457 HydrophobicContact CG2-CG2 4.37Å; M444-V457 WeakPolarHBondContact CG-O 3.46Å; Y445-V457 HydrophobicContact CD2-CG1 4.48Å; Y445-V457 PolarHBondContact N-O 2.85Å; N446-V457 HydrophobicContact CB-CB 4.49Å; N446-V457 PolarHBondContact N-O 2.82Å; N446-V457 PolarHBondContact O-N 2.79Å; Y448-V457 HydrophobicContact CD2-CG2 4.15Å; Y448-V457 HydrophobicContact CE2-CG2 4.08Å
458	M	96.4	Very high	96.1	Very high	11 Å²	11	26.1 Å²	26.1	5%	0.054	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	170.7	-169.3	63.8	-160.3	177.7	0	0	111.6	V398 A411 K413 V442 E443	V398-M458 HydrophobicContact CG1-CE 4.19Å; A411-M458 HydrophobicContact CB-CE 3.71Å; A411-M458 HydrophobicContact CB-CG 3.77Å; A411-M458 PolarHBondContact N-O 3.09Å; A411-M458 PolarHBondContact O-N 3.04Å; K413-M458 HydrophobicContact CB-CE 3.96Å; V442-M458 HydrophobicContact CG1-CB 4.04Å; V442-M458 HydrophobicContact CG1-CG 4.21Å; V442-M458 HydrophobicContact CG1-SD 4.19Å; E443-M458 CarbonylContact O-C 3.58Å; E443-M458 VanDerWaalsContact O-CA 3.22Å; E443-M458 WeakPolarHBondContact O-CA 3.42Å; E443-M458 VanDerWaalsContact O-CB 3.26Å; E443-M458 WeakPolarHBondContact O-CB 3.3Å
459	E	95.9	Very high	96	Very high	24 Å²	24	25.4 Å²	25.4	11%	0.112	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	143.5	175.4	74.4	-174.5	124.6	0	0	111.9	V442 E443 Y445 L461 K518	V442-E459 WeakPolarHBondContact CA-OE1 3.39Å; V442-E459 HydrophobicContact CG1-CG 4.19Å; E443-E459 HydrophobicContact CB-CB 4.36Å; E443-E459 HydrophobicContact CB-CG 4.3Å; E443-E459 WeakPolarHBondContact CB-OE1 3.32Å; E443-E459 PolarHBondContact N-OE1 2.84Å; E443-E459 PolarHBondContact O-N 3.5Å; Y445-E459 HydrophobicContact CE2-CB 4.19Å; Y445-E459 WeakPolarHBondContact OH-CB 3.22Å; E459-L461 HydrophobicContact CG-CD1 4.44Å; E459-L461 HydrophobicContact CG-CD2 4.12Å; E459-L461 HydrophobicContact CG-CG 4.02Å; E459-K518 VanDerWaalsContact OE1-CD 3.24Å; E459-K518 WeakPolarHBondContact OE1-CD 3.49Å; E459-K518 WeakPolarHBondContact OE1-CE 3.13Å; E459-K518 IonicContact OE1-NZ 3.76Å; E459-K518 PolarHBondContact OE1-NZ 3.09Å; E459-K518 IonicContact OE2-NZ 2.81Å; E459-K518 PolarHBondContact OE2-NZ 3.06Å
460	F	96.9	Very high	95.8	Very high	50 Å²	50	25.2 Å²	25.2	22%	0.219	15%	0.15	C	C	.	.			trans	-92.1	117.9	172.5	175.3	-116.7	0	0	0	109.7	I390 I400 L409 E462	I390-F460 HydrophobicContact CD1-CD2 4.16Å; I390-F460 HydrophobicContact CD1-CE2 3.79Å; I400-F460 HydrophobicContact CD1-CD1 3.64Å; I400-F460 HydrophobicContact CD1-CD2 3.98Å; I400-F460 HydrophobicContact CD1-CE1 3.51Å; I400-F460 HydrophobicContact CD1-CE2 3.88Å; I400-F460 HydrophobicContact CD1-CG 3.88Å; I400-F460 HydrophobicContact CD1-CZ 3.65Å; I400-F460 HydrophobicContact CG1-CD1 4.38Å; I400-F460 HydrophobicContact CG1-CD2 4.11Å; I400-F460 HydrophobicContact CG1-CE2 4.35Å; I400-F460 HydrophobicContact CG1-CG 4.14Å; L409-F460 HydrophobicContact CB-CB 4.45Å; L409-F460 HydrophobicContact CB-CD1 4.16Å; L409-F460 HydrophobicContact CD1-CD1 4.47Å; F460-E462 HydrophobicContact CD1-CB 4.49Å; F460-E462 HydrophobicContact CD1-CG 3.79Å; F460-E462 HydrophobicContact CE1-CB 3.87Å; F460-E462 HydrophobicContact CE1-CG 3.61Å; F460-E462 HydrophobicContact CZ-CB 4.35Å
461	L	96.2	Very high	95.4	Very high	13 Å²	13	28.1 Å²	28.1	7%	0.068	17%	0.168	C	C	.	.			trans	-99.6	104.6	-179.6	-68.7	177.8	0	0	0	109.6	V442 E459 G463 G464 L510 L511 T512 K518	V442-L461 HydrophobicContact CG2-CD1 3.78Å; E459-L461 HydrophobicContact CG-CD1 4.44Å; E459-L461 HydrophobicContact CG-CD2 4.12Å; E459-L461 HydrophobicContact CG-CG 4.02Å; L461-G463 VanDerWaalsContact C-N 3.28Å; L461-G463 PolarHBondContact O-N 3.34Å; L461-G464 PolarHBondContact O-N 2.9Å; L461-L510 HydrophobicContact CB-CB 4.1Å; L461-L510 HydrophobicContact CD1-CB 3.4Å; L461-L510 HydrophobicContact CD1-CD1 4.09Å; L461-L510 HydrophobicContact CD1-CG 4.39Å; L461-L510 HydrophobicContact CG-CB 4.38Å; L461-L511 CarbonylContact C-O 3.49Å; L461-L511 WeakPolarHBondContact CB-O 3.49Å; L461-T512 HydrophobicContact CD2-CG2 3.44Å; L461-T512 VanDerWaalsContact CD2-CG2 3.44Å; L461-K518 HydrophobicContact CD1-CB 3.93Å; L461-K518 HydrophobicContact CD1-CD 4.13Å; L461-K518 HydrophobicContact CD2-CD 4.23Å
462	E	93.6	Very high	94.9	Very high	63 Å²	63	30.5 Å²	30.5	29%	0.294	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-18	-164.4	-33.4	91.5	139.3	0	0	112.7	F460 G464 H513 R652	F460-E462 HydrophobicContact CD1-CB 4.49Å; F460-E462 HydrophobicContact CD1-CG 3.79Å; F460-E462 HydrophobicContact CE1-CB 3.87Å; F460-E462 HydrophobicContact CE1-CG 3.61Å; F460-E462 HydrophobicContact CZ-CB 4.35Å; E462-G464 PolarHBondContact O-N 2.76Å; E462-H513 HydrophobicContact CB-CB 4.4Å; E462-H513 VanDerWaalsContact CD-ND1 3.31Å; E462-H513 IonicContact OE1-CE1 3.77Å; E462-H513 IonicContact OE1-CG 2.61Å; E462-H513 IonicContact OE1-ND1 2.76Å; E462-H513 PolarHBondContact OE1-ND1 3.44Å; E462-H513 IonicContact OE2-CG 2.69Å; E462-H513 PolarHBondContact OE2-N 2.83Å; E462-H513 IonicContact OE2-ND1 3.52Å; E462-H513 PolarHBondContact OE2-ND1 2.86Å; E462-R652 PolarHBondContact O-NH2 2.81Å
463	G	93.6	Very high	94.5	Very high	13 Å²	13	29.1 Å²	29.1	13%	0.134	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.5	177.1	0	0	0	0	0	114.6	L461 L511 M648	L461-G463 VanDerWaalsContact C-N 3.28Å; L461-G463 PolarHBondContact O-N 3.34Å; G463-L511 WeakPolarHBondContact CA-O 3.14Å; G463-L511 PolarHBondContact N-O 2.88Å; G463-M648 WeakPolarHBondContact CA-SD 3.46Å
464	G	94.3	Very high	93.8	Very high	24 Å²	24	32.2 Å²	32.2	25%	0.247	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.5	-160.2	-178.4	0	0	0	0	0	112.9	L461 E462 L510 L511	L461-G464 PolarHBondContact O-N 2.9Å; E462-G464 PolarHBondContact O-N 2.76Å; G464-L510 WeakPolarHBondContact O-CA 3.27Å; G464-L511 PolarHBondContact O-N 3.45Å
465	A	95.3	Very high	93.7	Very high	17 Å²	17	32.3 Å²	32.3	14%	0.14	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	153.6	178.2	0	0	0	0	0	111.5	T467 D468 I509 L510	A465-T467 PolarHBondContact O-N 2.72Å; A465-D468 PolarHBondContact N-OD2 3.46Å; A465-D468 WeakPolarHBondContact O-CB 3.37Å; A465-D468 PolarHBondContact O-N 2.73Å; A465-D468 VanDerWaalsContact O-N 3.15Å; A465-I509 CarbonylContact C-O 3.59Å; A465-I509 WeakPolarHBondContact CA-O 3.49Å; A465-L510 HydrophobicContact CB-CD2 3.93Å
466	L	97.1	Very high	93.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-63.3	-24.1	175.4	-173.4	66	0	0	0	111.9	D468 I469 V470 M475 V483 S506 I509 M567 M571	L466-D468 VanDerWaalsContact C-N 3.28Å; L466-D468 PolarHBondContact O-N 3.03Å; L466-I469 HydrophobicContact CD1-CB 4.33Å; L466-I469 HydrophobicContact CD1-CD1 4.39Å; L466-I469 WeakPolarHBondContact O-CA 3.08Å; L466-I469 WeakPolarHBondContact O-CB 3.26Å; L466-I469 PolarHBondContact O-N 2.94Å; L466-V470 HydrophobicContact CD1-CG1 4.49Å; L466-V470 HydrophobicContact CG-CG1 4.16Å; L466-V470 PolarHBondContact O-N 3.27Å; L466-M475 HydrophobicContact CD1-CE 4.25Å; L466-M475 HydrophobicContact CD1-SD 3.96Å; L466-V483 HydrophobicContact CD1-CG2 4.39Å; L466-V483 HydrophobicContact CD2-CG1 3.85Å; L466-S506 WeakPolarHBondContact CB-O 3.32Å; L466-S506 PolarHBondContact N-O 2.58Å; L466-I509 HydrophobicContact CB-CB 3.93Å; L466-I509 HydrophobicContact CB-CG2 4.17Å; L466-I509 HydrophobicContact CD2-CB 4.11Å; L466-I509 HydrophobicContact CD2-CG1 4.41Å; L466-I509 HydrophobicContact CD2-CG2 4.11Å; L466-I509 PolarHBondContact N-O 2.95Å; L466-M567 HydrophobicContact CD2-CE 4.13Å; L466-M567 HydrophobicContact CD2-SD 4.35Å; L466-M571 HydrophobicContact CD2-CG 4.27Å; L466-M571 HydrophobicContact CD2-SD 4Å
467	T	95.6	Very high	93.7	Very high	29 Å²	29	36.5 Å²	36.5	18%	0.178	19%	0.191	C	C	.	.	H	α-helix	trans	-54.4	-43.5	172.3	-39.2	0	0	0	0	112.1	A465 I469 V470 T471 S506 D507	A465-T467 PolarHBondContact O-N 2.72Å; T467-I469 PolarHBondContact O-N 3.36Å; T467-V470 PolarHBondContact O-N 3.26Å; T467-T471 HydrophobicContact CG2-CG2 4.23Å; T467-T471 WeakPolarHBondContact O-CB 3.42Å; T467-T471 WeakPolarHBondContact O-CG2 3.18Å; T467-T471 PolarHBondContact O-N 3.26Å; T467-T471 PolarHBondContact O-OG1 3Å; T467-S506 VanDerWaalsContact OG1-C 3.24Å; T467-S506 PolarHBondContact OG1-OG 3.41Å; T467-D507 WeakPolarHBondContact CB-OD1 3.22Å; T467-D507 WeakPolarHBondContact CG2-OD1 3.12Å; T467-D507 WeakPolarHBondContact OG1-CA 3.24Å; T467-D507 PolarHBondContact OG1-N 3.01Å; T467-D507 PolarHBondContact OG1-OD1 3.43Å
468	D	92.8	Very high	93.8	Very high	86 Å²	86	39.9 Å²	39.9	46%	0.46	21%	0.207	S	C	.	.	H	α-helix	trans	-63.9	-22.6	179.5	-59.5	-45.5	0	0	0	111.6	A465 L466 H472 N651	A465-D468 PolarHBondContact N-OD2 3.46Å; A465-D468 WeakPolarHBondContact O-CB 3.37Å; A465-D468 PolarHBondContact O-N 2.73Å; A465-D468 VanDerWaalsContact O-N 3.15Å; L466-D468 VanDerWaalsContact C-N 3.28Å; L466-D468 PolarHBondContact O-N 3.03Å; D468-H472 PolarHBondContact O-ND1 3.22Å; D468-N651 PolarHBondContact O-ND2 2.73Å
469	I	94.4	Very high	93.9	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-83.2	-60.8	174.8	-66	177.4	0	0	0	111.7	L466 T467 T471 H472 T473 M475 L511 L647 M648 N651	L466-I469 HydrophobicContact CD1-CB 4.33Å; L466-I469 HydrophobicContact CD1-CD1 4.39Å; L466-I469 WeakPolarHBondContact O-CA 3.08Å; L466-I469 WeakPolarHBondContact O-CB 3.26Å; L466-I469 PolarHBondContact O-N 2.94Å; T467-I469 PolarHBondContact O-N 3.36Å; I469-T471 PolarHBondContact O-N 3.44Å; I469-H472 PolarHBondContact O-N 2.85Å; I469-T473 PolarHBondContact O-N 3.46Å; I469-M475 HydrophobicContact CG2-CG 4Å; I469-M475 HydrophobicContact CG2-SD 4.08Å; I469-L511 HydrophobicContact CD1-CD1 3.35Å; I469-L647 HydrophobicContact CD1-CB 3.82Å; I469-L647 HydrophobicContact CD1-CD1 4.44Å; I469-L647 HydrophobicContact CG1-CB 4.28Å; I469-L647 HydrophobicContact CG2-CB 4.04Å; I469-L647 HydrophobicContact CG2-CD1 4.06Å; I469-L647 HydrophobicContact CG2-CG 4.44Å; I469-M648 HydrophobicContact CD1-CG 4.08Å; I469-N651 WeakPolarHBondContact CA-ND2 3.44Å
470	V	94.3	Very high	94	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.055	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-28.8	-169.1	-59.2	0	0	0	0	113.1	L466 T467 M475 E570 M571	L466-V470 HydrophobicContact CD1-CG1 4.49Å; L466-V470 HydrophobicContact CG-CG1 4.16Å; L466-V470 PolarHBondContact O-N 3.27Å; T467-V470 PolarHBondContact O-N 3.26Å; V470-M475 HydrophobicContact CG1-SD 4.06Å; V470-E570 HydrophobicContact CG2-CB 4.4Å; V470-M571 HydrophobicContact CG1-CB 4.27Å; V470-M571 HydrophobicContact CG1-CG 3.75Å
471	T	89.8	Confident	94.1	Very high	73 Å²	73	36.8 Å²	36.8	45%	0.448	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-26.2	176.8	51.8	0	0	0	0	114	T467 I469	T467-T471 HydrophobicContact CG2-CG2 4.23Å; T467-T471 WeakPolarHBondContact O-CB 3.42Å; T467-T471 WeakPolarHBondContact O-CG2 3.18Å; T467-T471 PolarHBondContact O-N 3.26Å; T467-T471 PolarHBondContact O-OG1 3Å; I469-T471 PolarHBondContact O-N 3.44Å
472	H	84.1	Confident	94.2	Very high	96 Å²	96	36.6 Å²	36.6	44%	0.444	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-36.3	-172.8	-65.4	102.3	0	0	0	114	R109 D468 I469	R109-H472 PolarHBondContact NH2-O 3.32Å; D468-H472 PolarHBondContact O-ND1 3.22Å; I469-H472 PolarHBondContact O-N 2.85Å
473	T	86.5	Confident	94.5	Very high	17 Å²	17	33.6 Å²	33.6	10%	0.104	18%	0.179	C	C	.	.	S	Bend	trans	-140.3	124.5	-165.9	-66.7	0	0	0	0	110.7	I469 L647 N651	I469-T473 PolarHBondContact O-N 3.46Å; T473-L647 HydrophobicContact CG2-CD2 3.79Å; T473-N651 PolarHBondContact OG1-OD1 3.34Å
474	R	83.8	Confident	94.7	Very high	130 Å²	130	33 Å²	33	49%	0.491	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-72	129.8	178.2	-176.1	178.1	-174.8	-107.8	-5.1	110.9	K603	R474-K603 PolarHBondContact NH2-O 2.88Å
475	M	95.2	Very high	94.9	Very high	3 Å²	3	34 Å²	34	2%	0.015	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-80.2	150.1	176.5	-62.1	174.9	66.3	0	0	112	L466 I469 V470 Q479 I480 V483 M571 L647	L466-M475 HydrophobicContact CD1-CE 4.25Å; L466-M475 HydrophobicContact CD1-SD 3.96Å; I469-M475 HydrophobicContact CG2-CG 4Å; I469-M475 HydrophobicContact CG2-SD 4.08Å; V470-M475 HydrophobicContact CG1-SD 4.06Å; M475-Q479 HydrophobicContact CB-CB 4.35Å; M475-Q479 HydrophobicContact CE-CB 3.84Å; M475-I480 HydrophobicContact CB-CD1 4.26Å; M475-I480 HydrophobicContact CB-CG1 3.85Å; M475-I480 HydrophobicContact CE-CG1 4.47Å; M475-V483 HydrophobicContact CE-CG2 3.91Å; M475-M571 HydrophobicContact CE-SD 3.93Å; M475-M571 HydrophobicContact SD-CB 4.01Å; M475-M571 HydrophobicContact SD-CG 3.71Å; M475-M571 HydrophobicContact SD-SD 3.9Å; M475-L647 HydrophobicContact CE-CD1 4.17Å; M475-L647 HydrophobicContact CG-CD1 4.01Å
476	N	96.6	Very high	95.1	Very high	68 Å²	68	33.8 Å²	33.8	36%	0.364	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-85.3	170	169.5	80.6	13.3	0	0	0	110.8	E478 Q479 I480	N476-E478 VanDerWaalsContact C-N 3.33Å; N476-E478 PolarHBondContact O-N 2.73Å; N476-E478 WeakPolarHBondContact OD1-CB 3.46Å; N476-E478 PolarHBondContact OD1-N 2.67Å; N476-E478 VanDerWaalsContact OD1-N 3.08Å; N476-Q479 PolarHBondContact O-N 3.31Å; N476-Q479 WeakPolarHBondContact OD1-CB 3.31Å; N476-Q479 WeakPolarHBondContact OD1-CG 3.38Å; N476-Q479 PolarHBondContact OD1-N 3.15Å; N476-Q479 PolarHBondContact OD1-OE1 3.09Å; N476-I480 VanDerWaalsContact O-CG1 3.26Å; N476-I480 WeakPolarHBondContact O-CG1 3.36Å; N476-I480 PolarHBondContact O-N 3.4Å
477	E	98.3	Very high	95.2	Very high	34 Å²	34	33.9 Å²	33.9	16%	0.159	17%	0.17	C	C	.	.	H	α-helix	trans	-70	-25.2	-177.2	-70.7	-161.2	176	0	0	114.8	A481 V604 S605 L608 F634 K637	E477-A481 VanDerWaalsContact O-CB 3.27Å; E477-A481 WeakPolarHBondContact O-CB 3.36Å; E477-A481 PolarHBondContact O-N 3.23Å; E477-V604 WeakPolarHBondContact OE1-CA 3.27Å; E477-S605 VanDerWaalsContact CD-OG 3.3Å; E477-S605 WeakPolarHBondContact OE1-CB 3.35Å; E477-S605 PolarHBondContact OE1-N 3.27Å; E477-S605 PolarHBondContact OE1-OG 3.33Å; E477-S605 VanDerWaalsContact OE1-OG 3.11Å; E477-S605 WeakPolarHBondContact OE2-CB 3.46Å; E477-S605 PolarHBondContact OE2-OG 3.16Å; E477-L608 HydrophobicContact CG-CD2 3.88Å; E477-F634 HydrophobicContact CB-CE2 4.11Å; E477-F634 HydrophobicContact CG-CE2 4.43Å; E477-F634 WeakPolarHBondContact O-CZ 3.37Å; E477-K637 HydrophobicContact CB-CD 4.21Å; E477-K637 IonicContact OE2-NZ 2.65Å; E477-K637 PolarHBondContact OE2-NZ 3.12Å
478	E	98.6	Very high	95.3	Very high	73 Å²	73	32.5 Å²	32.5	34%	0.341	16%	0.161	S	C	.	.	H	α-helix	trans	-64.9	-51.4	173	169.3	-163.8	-163.5	0	0	109.8	N476 I480 A481 T482 K637 C643	N476-E478 VanDerWaalsContact C-N 3.33Å; N476-E478 PolarHBondContact O-N 2.73Å; N476-E478 WeakPolarHBondContact OD1-CB 3.46Å; N476-E478 PolarHBondContact OD1-N 2.67Å; N476-E478 VanDerWaalsContact OD1-N 3.08Å; E478-I480 PolarHBondContact O-N 3.34Å; E478-A481 CarbonylContact O-C 3.52Å; E478-A481 WeakPolarHBondContact O-CB 3.47Å; E478-A481 PolarHBondContact O-N 3.26Å; E478-A481 VanDerWaalsContact O-N 3.13Å; E478-T482 PolarHBondContact O-N 3Å; E478-T482 PolarHBondContact O-OG1 3.18Å; E478-K637 VanDerWaalsContact CA-O 3.29Å; E478-K637 WeakPolarHBondContact CA-O 3.46Å; E478-K637 WeakPolarHBondContact CG-O 3.39Å; E478-C643 HydrophobicContact CG-CB 4.3Å; E478-C643 WeakPolarHBondContact OE1-CB 3.37Å
479	Q	98.6	Very high	95.6	Very high	19 Å²	19	32.8 Å²	32.8	9%	0.089	16%	0.159	C	C	.	.	H	α-helix	trans	-61.7	-41.1	178.4	-66.5	162.8	-25.2	0	0	111.9	M475 N476 T482 V483 C643 I644 L647	M475-Q479 HydrophobicContact CB-CB 4.35Å; M475-Q479 HydrophobicContact CE-CB 3.84Å; N476-Q479 PolarHBondContact O-N 3.31Å; N476-Q479 WeakPolarHBondContact OD1-CB 3.31Å; N476-Q479 WeakPolarHBondContact OD1-CG 3.38Å; N476-Q479 PolarHBondContact OD1-N 3.15Å; N476-Q479 PolarHBondContact OD1-OE1 3.09Å; Q479-T482 PolarHBondContact O-N 3.39Å; Q479-V483 PolarHBondContact O-N 2.68Å; Q479-C643 HydrophobicContact CG-CB 4.45Å; Q479-C643 WeakPolarHBondContact CG-O 3.37Å; Q479-C643 PolarHBondContact NE2-O 3Å; Q479-I644 HydrophobicContact CB-CD1 3.88Å; Q479-I644 HydrophobicContact CG-CD1 4.12Å; Q479-L647 HydrophobicContact CB-CD1 4.32Å; Q479-L647 HydrophobicContact CG-CD1 4.19Å
480	I	98.6	Very high	95.8	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-44.9	173.5	-67.3	167.5	0	0	0	110.3	M475 N476 E478 T482 V483 C484 M571 V572 L608 F634	M475-I480 HydrophobicContact CB-CD1 4.26Å; M475-I480 HydrophobicContact CB-CG1 3.85Å; M475-I480 HydrophobicContact CE-CG1 4.47Å; N476-I480 VanDerWaalsContact O-CG1 3.26Å; N476-I480 WeakPolarHBondContact O-CG1 3.36Å; N476-I480 PolarHBondContact O-N 3.4Å; E478-I480 PolarHBondContact O-N 3.34Å; I480-T482 PolarHBondContact O-N 3.47Å; I480-V483 PolarHBondContact O-N 3.24Å; I480-C484 VanDerWaalsContact O-CB 3.32Å; I480-C484 WeakPolarHBondContact O-CB 3.42Å; I480-C484 PolarHBondContact O-N 2.57Å; I480-C484 PolarHBondContact O-SG 3.37Å; I480-M571 HydrophobicContact CD1-CB 4.25Å; I480-M571 HydrophobicContact CG1-CB 3.94Å; I480-M571 HydrophobicContact CG1-SD 4.32Å; I480-M571 HydrophobicContact CG2-CE 4.14Å; I480-V572 HydrophobicContact CD1-CG2 3.81Å; I480-L608 HydrophobicContact CD1-CD2 4.31Å; I480-L608 HydrophobicContact CG2-CD1 4.29Å; I480-F634 HydrophobicContact CB-CZ 4.25Å; I480-F634 HydrophobicContact CG2-CE1 4.09Å; I480-F634 HydrophobicContact CG2-CZ 3.84Å
481	A	98.9	Very high	96	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-39.5	176.5	0	0	0	0	0	112.4	E477 E478 C484 L485 F634 K637 A638	E477-A481 VanDerWaalsContact O-CB 3.27Å; E477-A481 WeakPolarHBondContact O-CB 3.36Å; E477-A481 PolarHBondContact O-N 3.23Å; E478-A481 CarbonylContact O-C 3.52Å; E478-A481 WeakPolarHBondContact O-CB 3.47Å; E478-A481 PolarHBondContact O-N 3.26Å; E478-A481 VanDerWaalsContact O-N 3.13Å; A481-C484 PolarHBondContact O-N 2.57Å; A481-L485 WeakPolarHBondContact O-CB 3.5Å; A481-L485 PolarHBondContact O-N 3.02Å; A481-F634 HydrophobicContact CB-CD1 4.35Å; A481-F634 HydrophobicContact CB-CE1 3.73Å; A481-F634 HydrophobicContact CB-CE2 4.49Å; A481-F634 HydrophobicContact CB-CZ 3.79Å; A481-K637 HydrophobicContact CB-CB 3.96Å; A481-A638 HydrophobicContact CB-CB 4.06Å
482	T	98.8	Very high	96.4	Very high	8 Å²	8	29.6 Å²	29.6	5%	0.049	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-45.7	176	-55.3	0	0	0	0	112.4	E478 Q479 I480 S486 G639 C643 I644	E478-T482 PolarHBondContact O-N 3Å; E478-T482 PolarHBondContact O-OG1 3.18Å; Q479-T482 PolarHBondContact O-N 3.39Å; I480-T482 PolarHBondContact O-N 3.47Å; T482-S486 WeakPolarHBondContact O-CB 3.41Å; T482-S486 PolarHBondContact O-N 3.32Å; T482-S486 PolarHBondContact O-OG 2.61Å; T482-G639 PolarHBondContact OG1-N 3.39Å; T482-G639 PolarHBondContact OG1-O 2.81Å; T482-C643 PolarHBondContact OG1-SG 2.89Å; T482-C643 VanDerWaalsContact OG1-SG 3.39Å; T482-I644 HydrophobicContact CG2-CD1 4.31Å; T482-I644 HydrophobicContact CG2-CG1 4.17Å
483	V	98.8	Very high	97	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.9	-50.2	175	170.3	0	0	0	0	110.7	L466 M475 Q479 I480 L485 S486 V487 V517 M567 M571 I644	L466-V483 HydrophobicContact CD1-CG2 4.39Å; L466-V483 HydrophobicContact CD2-CG1 3.85Å; M475-V483 HydrophobicContact CE-CG2 3.91Å; Q479-V483 PolarHBondContact O-N 2.68Å; I480-V483 PolarHBondContact O-N 3.24Å; V483-L485 VanDerWaalsContact C-N 3.35Å; V483-L485 PolarHBondContact O-N 3.17Å; V483-S486 PolarHBondContact O-N 3.18Å; V483-V487 HydrophobicContact CG1-CG2 4.34Å; V483-V487 WeakPolarHBondContact O-CG2 3.48Å; V483-V487 PolarHBondContact O-N 3.02Å; V483-V517 HydrophobicContact CG1-CG1 4.34Å; V483-V517 HydrophobicContact CG2-CG1 4.43Å; V483-V517 HydrophobicContact CG2-CG2 4.03Å; V483-M567 HydrophobicContact CG1-CE 3.72Å; V483-M571 HydrophobicContact CB-SD 4.04Å; V483-M571 HydrophobicContact CG1-CE 4.19Å; V483-M571 HydrophobicContact CG1-SD 3.84Å; V483-M571 HydrophobicContact CG2-SD 4.47Å; V483-I644 HydrophobicContact CG2-CD1 4.2Å
484	C	98.9	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.9	-43.4	-180	-70.9	0	0	0	0	112.5	I480 A481 S486 L488 V568 F611 L635	I480-C484 VanDerWaalsContact O-CB 3.32Å; I480-C484 WeakPolarHBondContact O-CB 3.42Å; I480-C484 PolarHBondContact O-N 2.57Å; I480-C484 PolarHBondContact O-SG 3.37Å; A481-C484 PolarHBondContact O-N 2.57Å; C484-S486 PolarHBondContact O-N 3.24Å; C484-L488 WeakPolarHBondContact O-CB 3.4Å; C484-L488 WeakPolarHBondContact O-CD1 3.46Å; C484-L488 WeakPolarHBondContact O-CG 3.25Å; C484-L488 PolarHBondContact O-N 3.18Å; C484-V568 WeakPolarHBondContact SG-CG2 3.29Å; C484-F611 HydrophobicContact CB-CE1 3.88Å; C484-F611 HydrophobicContact CB-CZ 4.04Å; C484-L635 HydrophobicContact CB-CD2 3.83Å
485	L	98.9	Very high	98.1	Very high	45 Å²	45	22 Å²	22	24%	0.236	11%	0.113	C	C	.	.	H	α-helix	trans	-60.2	-45.2	176.6	176.2	60.6	0	0	0	111.5	A481 V483 L488 K489 L630 L635 A638	A481-L485 WeakPolarHBondContact O-CB 3.5Å; A481-L485 PolarHBondContact O-N 3.02Å; V483-L485 VanDerWaalsContact C-N 3.35Å; V483-L485 PolarHBondContact O-N 3.17Å; L485-L488 PolarHBondContact O-N 3.36Å; L485-K489 WeakPolarHBondContact O-CG 3.48Å; L485-K489 PolarHBondContact O-N 3.44Å; L485-L630 HydrophobicContact CD1-CD2 3.76Å; L485-L635 HydrophobicContact CB-CD2 4.31Å; L485-L635 HydrophobicContact CD1-CD1 4.21Å; L485-A638 HydrophobicContact CB-CB 4.26Å; L485-A638 HydrophobicContact CD2-CB 3.63Å
486	S	98.8	Very high	98.1	Very high	14 Å²	14	27.3 Å²	27.3	10%	0.098	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-46.2	-179.9	-62.1	0	0	0	0	112.3	N440 T482 V483 C484 K489 A490	N440-S486 WeakPolarHBondContact CB-O 3.46Å; N440-S486 WeakPolarHBondContact ND2-CB 3.41Å; N440-S486 PolarHBondContact OD1-O 2.8Å; T482-S486 WeakPolarHBondContact O-CB 3.41Å; T482-S486 PolarHBondContact O-N 3.32Å; T482-S486 PolarHBondContact O-OG 2.61Å; V483-S486 PolarHBondContact O-N 3.18Å; C484-S486 PolarHBondContact O-N 3.24Å; S486-K489 PolarHBondContact O-N 3.45Å; S486-A490 PolarHBondContact O-N 3.35Å
487	V	98.8	Very high	97.8	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.012	15%	0.146	C	C	.	.	H	α-helix	trans	-67.5	-38.7	178.2	178.7	0	0	0	0	111.1	V483 K489 A490 L491 I509 V517 L564 M567	V483-V487 HydrophobicContact CG1-CG2 4.34Å; V483-V487 WeakPolarHBondContact O-CG2 3.48Å; V483-V487 PolarHBondContact O-N 3.02Å; V487-K489 PolarHBondContact O-N 2.85Å; V487-A490 PolarHBondContact O-N 3Å; V487-L491 HydrophobicContact CG1-CD1 3.95Å; V487-L491 HydrophobicContact CG1-CG 4.21Å; V487-L491 WeakPolarHBondContact O-CB 3.46Å; V487-L491 WeakPolarHBondContact O-CG 3.32Å; V487-L491 PolarHBondContact O-N 2.9Å; V487-I509 HydrophobicContact CG1-CD1 4.35Å; V487-I509 HydrophobicContact CG2-CD1 3.5Å; V487-I509 VanDerWaalsContact CG2-CD1 3.5Å; V487-I509 HydrophobicContact CG2-CG1 4.13Å; V487-V517 HydrophobicContact CG2-CG1 4.42Å; V487-L564 HydrophobicContact CB-CD1 4.36Å; V487-L564 HydrophobicContact CG1-CD1 4.01Å; V487-M567 HydrophobicContact CG2-CE 4.38Å
488	L	98.9	Very high	97.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.3	-31.7	176.2	-76.7	169.6	0	0	0	113.6	C484 L485 S492 I561 L564 F611 A626 L629 L630 L635	C484-L488 WeakPolarHBondContact O-CB 3.4Å; C484-L488 WeakPolarHBondContact O-CD1 3.46Å; C484-L488 WeakPolarHBondContact O-CG 3.25Å; C484-L488 PolarHBondContact O-N 3.18Å; L485-L488 PolarHBondContact O-N 3.36Å; L488-S492 WeakPolarHBondContact O-CB 3.44Å; L488-S492 PolarHBondContact O-N 2.86Å; L488-I561 HydrophobicContact CD2-CD1 4.39Å; L488-L564 HydrophobicContact CD1-CD2 4.38Å; L488-L564 HydrophobicContact CD2-CD2 3.57Å; L488-L564 HydrophobicContact CG-CD2 3.72Å; L488-F611 HydrophobicContact CD1-CE2 4.15Å; L488-F611 HydrophobicContact CD1-CZ 3.75Å; L488-A626 HydrophobicContact CD2-CB 4.04Å; L488-L629 HydrophobicContact CD1-CB 3.67Å; L488-L629 HydrophobicContact CD2-CB 3.86Å; L488-L629 HydrophobicContact CD2-CD1 4.03Å; L488-L629 HydrophobicContact CG-CB 4.45Å; L488-L630 HydrophobicContact CB-CD2 3.61Å; L488-L630 HydrophobicContact CB-CG 3.95Å; L488-L635 HydrophobicContact CD1-CD1 3.85Å
489	K	98.7	Very high	97.5	Very high	92 Å²	92	23.3 Å²	23.3	40%	0.4	13%	0.128	S	C	.	.	H	α-helix	trans	-62.5	-50.4	171	-75.2	173.8	174.8	-173.8	0	110.9	N440 L485 S486 V487 S492 V493 L630	N440-K489 WeakPolarHBondContact OD1-CD 3.16Å; L485-K489 WeakPolarHBondContact O-CG 3.48Å; L485-K489 PolarHBondContact O-N 3.44Å; S486-K489 PolarHBondContact O-N 3.45Å; V487-K489 PolarHBondContact O-N 2.85Å; K489-S492 PolarHBondContact O-N 3.1Å; K489-V493 PolarHBondContact O-N 3.27Å; K489-L630 HydrophobicContact CG-CD2 4.09Å
490	A	98.1	Very high	97.4	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.008	12%	0.124	C	C	.	.	H	α-helix	trans	-58.6	-50.8	176.6	0	0	0	0	0	111.8	N440 V441 S486 V487 S492 V493 L494 L519	N440-A490 HydrophobicContact CB-CB 4.13Å; V441-A490 HydrophobicContact CG2-CB 3.9Å; S486-A490 PolarHBondContact O-N 3.35Å; V487-A490 PolarHBondContact O-N 3Å; A490-S492 VanDerWaalsContact C-N 3.35Å; A490-S492 PolarHBondContact O-N 3.43Å; A490-V493 PolarHBondContact O-N 2.95Å; A490-L494 WeakPolarHBondContact O-CB 3.41Å; A490-L494 VanDerWaalsContact O-CG 3.29Å; A490-L494 WeakPolarHBondContact O-CG 3.45Å; A490-L494 PolarHBondContact O-N 3.17Å; A490-L519 HydrophobicContact CB-CB 4.39Å; A490-L519 HydrophobicContact CB-CD2 4.27Å
491	L	98.6	Very high	97.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-40.7	177.7	-70.4	178.1	0	0	0	112.2	V487 V493 L494 H495 H501 I504 L519 D560 I561 L564 A626	V487-L491 HydrophobicContact CG1-CD1 3.95Å; V487-L491 HydrophobicContact CG1-CG 4.21Å; V487-L491 WeakPolarHBondContact O-CB 3.46Å; V487-L491 WeakPolarHBondContact O-CG 3.32Å; V487-L491 PolarHBondContact O-N 2.9Å; L491-V493 VanDerWaalsContact C-N 3.29Å; L491-V493 PolarHBondContact O-N 3.15Å; L491-L494 PolarHBondContact O-N 2.93Å; L491-H495 WeakPolarHBondContact O-CB 3.17Å; L491-H495 PolarHBondContact O-CD2 2.9Å; L491-H495 VanDerWaalsContact O-CD2 3.3Å; L491-H495 PolarHBondContact O-N 3.46Å; L491-H501 HydrophobicContact CD2-CB 4.4Å; L491-I504 HydrophobicContact CD2-CD1 3.96Å; L491-I504 HydrophobicContact CD2-CG1 4.28Å; L491-L519 HydrophobicContact CD2-CD2 4.37Å; L491-D560 HydrophobicContact CD1-CB 4.25Å; L491-D560 HydrophobicContact CD2-CB 3.97Å; L491-I561 HydrophobicContact CD1-CD1 4.42Å; L491-L564 HydrophobicContact CD1-CD2 4.39Å; L491-A626 HydrophobicContact CB-CB 4.15Å
492	S	98.3	Very high	97.3	Very high	17 Å²	17	22.7 Å²	22.7	12%	0.119	12%	0.124	C	C	.	.	H	α-helix	trans	-63.6	-33.1	179.3	-171.2	0	0	0	0	112.8	L488 K489 A490 T496 S627	L488-S492 WeakPolarHBondContact O-CB 3.44Å; L488-S492 PolarHBondContact O-N 2.86Å; K489-S492 PolarHBondContact O-N 3.1Å; A490-S492 VanDerWaalsContact C-N 3.35Å; A490-S492 PolarHBondContact O-N 3.43Å; S492-T496 WeakPolarHBondContact O-CB 3.33Å; S492-T496 PolarHBondContact O-N 3.16Å; S492-T496 PolarHBondContact O-OG1 3.21Å; S492-S627 PolarHBondContact OG-OG 2.94Å
493	V	96.3	Very high	97.2	Very high	52 Å²	52	22.5 Å²	22.5	32%	0.315	12%	0.123	S	C	.	.	H	α-helix	trans	-73.2	-54	175.1	172.5	0	0	0	0	110.1	K489 A490 L491 H495 T496 Q497	K489-V493 PolarHBondContact O-N 3.27Å; A490-V493 PolarHBondContact O-N 2.95Å; L491-V493 VanDerWaalsContact C-N 3.29Å; L491-V493 PolarHBondContact O-N 3.15Å; V493-H495 PolarHBondContact O-N 3.47Å; V493-T496 WeakPolarHBondContact O-CB 3.4Å; V493-T496 PolarHBondContact O-N 3.12Å; V493-T496 VanDerWaalsContact O-N 3.15Å; V493-Q497 VanDerWaalsContact CG1-OE1 3.3Å; V493-Q497 WeakPolarHBondContact O-CG 3.24Å; V493-Q497 PolarHBondContact O-N 3.04Å; V493-Q497 VanDerWaalsContact O-N 3.08Å; V493-Q497 PolarHBondContact O-OE1 3.02Å
494	L	95.9	Very high	97.2	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-55.3	-47.4	179.1	-69.7	168.7	0	0	0	112.3	Y436 A490 L491 T496 Q497 G498 V499 L519 F522	Y436-L494 HydrophobicContact CG-CD2 4.43Å; A490-L494 WeakPolarHBondContact O-CB 3.41Å; A490-L494 VanDerWaalsContact O-CG 3.29Å; A490-L494 WeakPolarHBondContact O-CG 3.45Å; A490-L494 PolarHBondContact O-N 3.17Å; L491-L494 PolarHBondContact O-N 2.93Å; L494-T496 PolarHBondContact O-N 3.26Å; L494-Q497 CarbonylContact O-C 3.53Å; L494-Q497 WeakPolarHBondContact O-CA 3.3Å; L494-Q497 PolarHBondContact O-N 2.8Å; L494-Q497 VanDerWaalsContact O-N 3.11Å; L494-G498 PolarHBondContact O-N 3.15Å; L494-G498 VanDerWaalsContact O-N 3.09Å; L494-V499 CarbonylContact C-O 3.58Å; L494-V499 HydrophobicContact CB-CB 4.08Å; L494-V499 HydrophobicContact CD2-CB 4.07Å; L494-V499 HydrophobicContact CD2-CG1 4.07Å; L494-V499 HydrophobicContact CD2-CG2 4.33Å; L494-V499 PolarHBondContact O-N 3.23Å; L494-L519 HydrophobicContact CD1-CD2 3.9Å; L494-F522 HydrophobicContact CD1-CE1 3.99Å; L494-F522 HydrophobicContact CD2-CE1 4.45Å
495	H	96.9	Very high	97.1	Very high	28 Å²	28	23.3 Å²	23.3	13%	0.13	13%	0.127	C	C	.	.	H	α-helix	trans	-64.5	-37.8	179.6	-68.8	-168.9	0	0	0	112.2	L491 V493 Q497 G498 V499 P557 D560	L491-H495 WeakPolarHBondContact O-CB 3.17Å; L491-H495 PolarHBondContact O-CD2 2.9Å; L491-H495 VanDerWaalsContact O-CD2 3.3Å; L491-H495 PolarHBondContact O-N 3.46Å; V493-H495 PolarHBondContact O-N 3.47Å; H495-Q497 PolarHBondContact O-N 3.17Å; H495-G498 PolarHBondContact O-N 3.45Å; H495-G498 VanDerWaalsContact O-N 3.15Å; H495-V499 PolarHBondContact CD2-O 2.75Å; H495-P557 HydrophobicContact CB-CB 4.06Å; H495-P557 PolarHBondContact CE1-O 3.08Å; H495-D560 IonicContact CD2-OD2 3.59Å; H495-D560 IonicContact CE1-OD2 2.76Å; H495-D560 IonicContact NE2-OD2 2.72Å; H495-D560 PolarHBondContact NE2-OD2 2.99Å
496	T	95	Very high	97.1	Very high	114 Å²	114	21.2 Å²	21.2	70%	0.699	12%	0.116	S	C	*	.	H	α-helix	trans	-64.7	-32.5	174.8	-60.5	0	0	0	0	111.4	S492 V493 L494 G498	S492-T496 WeakPolarHBondContact O-CB 3.33Å; S492-T496 PolarHBondContact O-N 3.16Å; S492-T496 PolarHBondContact O-OG1 3.21Å; V493-T496 WeakPolarHBondContact O-CB 3.4Å; V493-T496 PolarHBondContact O-N 3.12Å; V493-T496 VanDerWaalsContact O-N 3.15Å; L494-T496 PolarHBondContact O-N 3.26Å; T496-G498 VanDerWaalsContact C-N 3.32Å
497	Q	92.3	Very high	96.9	Very high	80 Å²	80	23.7 Å²	23.7	37%	0.374	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	0.5	176.8	-68.2	161.8	-33.1	0	0	113.3	Y436 V493 L494 H495 Q527	Y436-Q497 HydrophobicContact CD1-CB 4.38Å; Y436-Q497 HydrophobicContact CD1-CG 4.33Å; Y436-Q497 HydrophobicContact CE1-CB 3.67Å; Y436-Q497 VanDerWaalsContact CE1-CD 3.42Å; Y436-Q497 HydrophobicContact CE1-CG 3.87Å; V493-Q497 VanDerWaalsContact CG1-OE1 3.3Å; V493-Q497 WeakPolarHBondContact O-CG 3.24Å; V493-Q497 PolarHBondContact O-N 3.04Å; V493-Q497 VanDerWaalsContact O-N 3.08Å; V493-Q497 PolarHBondContact O-OE1 3.02Å; L494-Q497 CarbonylContact O-C 3.53Å; L494-Q497 WeakPolarHBondContact O-CA 3.3Å; L494-Q497 PolarHBondContact O-N 2.8Å; L494-Q497 VanDerWaalsContact O-N 3.11Å; H495-Q497 PolarHBondContact O-N 3.17Å; Q497-Q527 PolarHBondContact O-NE2 3.32Å
498	G	93.6	Very high	96.8	Very high	12 Å²	12	23.6 Å²	23.6	12%	0.124	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	13.5	179.6	0	0	0	0	0	115	L494 H495 T496 Q527 V528	L494-G498 PolarHBondContact O-N 3.15Å; L494-G498 VanDerWaalsContact O-N 3.09Å; H495-G498 PolarHBondContact O-N 3.45Å; H495-G498 VanDerWaalsContact O-N 3.15Å; T496-G498 VanDerWaalsContact C-N 3.32Å; G498-Q527 CarbonylContact O-C 3.5Å; G498-Q527 PolarHBondContact O-NE2 2.96Å; G498-V528 VanDerWaalsContact O-CG2 3.23Å; G498-V528 WeakPolarHBondContact O-CG2 3.43Å; G498-V528 PolarHBondContact O-N 3.14Å
499	V	95.3	Very high	96.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131	172.9	-176.9	0	0	0	0	109.8	I432 Y436 L494 H495 C525	I432-V499 HydrophobicContact CD1-CG1 4.38Å; I432-V499 HydrophobicContact CD1-CG2 4.19Å; I432-V499 HydrophobicContact CG2-CG1 4.02Å; Y436-V499 HydrophobicContact CD2-CG2 3.94Å; Y436-V499 HydrophobicContact CE2-CG2 3.35Å; L494-V499 CarbonylContact C-O 3.58Å; L494-V499 HydrophobicContact CB-CB 4.08Å; L494-V499 HydrophobicContact CD2-CB 4.07Å; L494-V499 HydrophobicContact CD2-CG1 4.07Å; L494-V499 HydrophobicContact CD2-CG2 4.33Å; L494-V499 PolarHBondContact O-N 3.23Å; H495-V499 PolarHBondContact CD2-O 2.75Å; V499-C525 HydrophobicContact CG1-CB 4.23Å
500	I	97.3	Very high	96.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.2	171.3	-46.7	167.8	0	0	0	107.7	R502 C525 A526 V528 R535 G556 P557 V559	I500-R502 HydrophobicContact CB-CG 4.07Å; I500-R502 HydrophobicContact CG2-CG 3.48Å; I500-R502 VanDerWaalsContact CG2-CG 3.48Å; I500-C525 CarbonylContact O-C 3.44Å; I500-C525 WeakPolarHBondContact O-CA 3.47Å; I500-A526 PolarHBondContact N-O 3.48Å; I500-A526 PolarHBondContact O-N 3.35Å; I500-V528 HydrophobicContact CD1-CG1 3.75Å; I500-V528 HydrophobicContact CD1-CG2 4.5Å; I500-R535 HydrophobicContact CD1-CG 4.03Å; I500-G556 VanDerWaalsContact CD1-C 3.47Å; I500-P557 HydrophobicContact CG1-CB 4.5Å; I500-P557 HydrophobicContact CG1-CG 4.15Å; I500-V559 HydrophobicContact CG2-CG2 3.56Å
501	H	97.6	Very high	96.7	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	12%	0.117	C	C	.	.			trans	-75.9	-45.7	-174.2	-165.4	-100.6	0	0	0	113.3	L491 D503 I504 S520 F522 F524 C525 D560	L491-H501 HydrophobicContact CD2-CB 4.4Å; H501-D503 PolarHBondContact O-N 3.26Å; H501-D503 VanDerWaalsContact O-N 3.14Å; H501-I504 HydrophobicContact CB-CD1 3.93Å; H501-I504 HydrophobicContact CB-CG1 4.1Å; H501-I504 WeakPolarHBondContact ND1-CD1 3.45Å; H501-S520 PolarHBondContact CE1-O 2.95Å; H501-S520 VanDerWaalsContact CE1-O 3.23Å; H501-S520 PolarHBondContact NE2-O 2.67Å; H501-S520 VanDerWaalsContact NE2-O 3.15Å; H501-F522 AromaticContact CD2-CD1 3.78Å; H501-F522 AromaticContact CD2-CE1 3.84Å; H501-F522 AromaticContact NE2-CD1 3.96Å; H501-F524 CarbonylContact O-C 3.44Å; H501-C525 PolarHBondContact O-N 2.81Å; H501-D560 PolarHBondContact N-OD1 3.04Å; H501-D560 PolarHBondContact N-OD2 3.26Å
502	R	97.4	Very high	96.6	Very high	6 Å²	6	21 Å²	21	2%	0.023	12%	0.118	C	C	.	.			trans	65	1.9	176.5	-48.9	-173.7	-64.2	-179.1	-2.2	116.9	I500 F524 C525 A526 S537 V539 G540 Y555 V559 D560	I500-R502 HydrophobicContact CB-CG 4.07Å; I500-R502 HydrophobicContact CG2-CG 3.48Å; I500-R502 VanDerWaalsContact CG2-CG 3.48Å; R502-F524 PolarHBondContact NE-O 2.98Å; R502-F524 PolarHBondContact NH2-O 2.69Å; R502-C525 PolarHBondContact NH2-O 2.92Å; R502-A526 VanDerWaalsContact CZ-CB 3.42Å; R502-S537 PolarHBondContact NH1-OG 3.35Å; R502-V539 HydrophobicContact CB-CG2 4.15Å; R502-V539 VanDerWaalsContact CZ-CG2 3.43Å; R502-G540 WeakPolarHBondContact O-CA 3.4Å; R502-Y555 WeakPolarHBondContact CD-OH 3.32Å; R502-Y555 HydrophobicContact CG-CE2 4.38Å; R502-Y555 PolarHBondContact NH1-OH 3.14Å; R502-V559 HydrophobicContact CG-CG2 4.27Å; R502-D560 WeakPolarHBondContact CA-OD1 3.39Å; R502-D560 PolarHBondContact N-OD1 3.4Å
503	D	96.8	Very high	96.4	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.027	14%	0.138	C	C	.	.			trans	-139	43.5	173.6	-148.7	25.7	0	0	0	113.6	H501 K505 S508 F524 G540 T541	H501-D503 PolarHBondContact O-N 3.26Å; H501-D503 VanDerWaalsContact O-N 3.14Å; D503-K505 VanDerWaalsContact CG-NZ 3.34Å; D503-K505 PolarHBondContact O-N 2.9Å; D503-K505 IonicContact OD1-NZ 3.7Å; D503-K505 VanDerWaalsContact OD2-CE 3.25Å; D503-K505 WeakPolarHBondContact OD2-CE 3.24Å; D503-K505 IonicContact OD2-NZ 2.74Å; D503-K505 PolarHBondContact OD2-NZ 3.21Å; D503-S508 PolarHBondContact O-OG 2.85Å; D503-F524 HydrophobicContact CB-CB 4.2Å; D503-F524 HydrophobicContact CB-CD2 3.9Å; D503-F524 WeakPolarHBondContact OD2-CD2 3.41Å; D503-G540 WeakPolarHBondContact OD1-CA 3.38Å; D503-T541 VanDerWaalsContact OD1-CB 3.26Å; D503-T541 WeakPolarHBondContact OD1-CB 3.3Å; D503-T541 PolarHBondContact OD1-N 3.21Å; D503-T541 PolarHBondContact OD1-OG1 3.13Å; D503-T541 PolarHBondContact OD2-OG1 2.91Å
504	I	98.7	Very high	96.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.			trans	-72.2	122.6	174.5	-59.4	-66.1	0	0	0	110.7	L491 H501 L519 W544 D560 S563 L564 M567	L491-I504 HydrophobicContact CD2-CD1 3.96Å; L491-I504 HydrophobicContact CD2-CG1 4.28Å; H501-I504 HydrophobicContact CB-CD1 3.93Å; H501-I504 HydrophobicContact CB-CG1 4.1Å; H501-I504 WeakPolarHBondContact ND1-CD1 3.45Å; I504-L519 HydrophobicContact CD1-CD1 3.46Å; I504-L519 VanDerWaalsContact CD1-CD1 3.46Å; I504-L519 HydrophobicContact CD1-CD2 4Å; I504-L519 HydrophobicContact CD1-CG 4.41Å; I504-W544 VanDerWaalsContact O-CD1 3.27Å; I504-D560 HydrophobicContact CG1-CB 4.09Å; I504-S563 WeakPolarHBondContact O-CB 3.26Å; I504-L564 HydrophobicContact CG2-CB 4.2Å; I504-M567 HydrophobicContact CG2-SD 4.33Å
505	K	98.1	Very high	96.5	Very high	17 Å²	17	25.5 Å²	25.5	7%	0.074	14%	0.135	C	C	.	.	S	Bend	trans	-169.6	168.5	-175.9	60	-169.2	165.2	179	0	109.3	D503 D507 S508 T541 W544	D503-K505 VanDerWaalsContact CG-NZ 3.34Å; D503-K505 PolarHBondContact O-N 2.9Å; D503-K505 IonicContact OD1-NZ 3.7Å; D503-K505 VanDerWaalsContact OD2-CE 3.25Å; D503-K505 WeakPolarHBondContact OD2-CE 3.24Å; D503-K505 IonicContact OD2-NZ 2.74Å; D503-K505 PolarHBondContact OD2-NZ 3.21Å; K505-D507 VanDerWaalsContact C-N 3.28Å; K505-D507 HydrophobicContact CD-CB 4.14Å; K505-D507 WeakPolarHBondContact CD-OD2 3.15Å; K505-D507 HydrophobicContact CG-CB 4.1Å; K505-D507 PolarHBondContact O-N 2.92Å; K505-S508 WeakPolarHBondContact CE-OG 3.42Å; K505-S508 PolarHBondContact O-N 2.7Å; K505-S508 VanDerWaalsContact O-N 3.16Å; K505-T541 PolarHBondContact NZ-OG1 2.69Å; K505-W544 HydrophobicContact CB-CD2 3.86Å; K505-W544 VanDerWaalsContact CB-CE2 3.49Å; K505-W544 HydrophobicContact CB-CG 3.95Å; K505-W544 HydrophobicContact CB-CZ2 3.98Å; K505-W544 VanDerWaalsContact CB-NE1 3.34Å
506	S	97.5	Very high	96.5	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-56.2	-35.1	177.7	60.1	0	0	0	0	114.6	L466 T467 S508 I509 E570	L466-S506 WeakPolarHBondContact CB-O 3.32Å; L466-S506 PolarHBondContact N-O 2.58Å; T467-S506 VanDerWaalsContact OG1-C 3.24Å; T467-S506 PolarHBondContact OG1-OG 3.41Å; S506-S508 VanDerWaalsContact C-N 3.28Å; S506-S508 PolarHBondContact O-N 2.77Å; S506-I509 PolarHBondContact O-N 3.43Å; S506-E570 VanDerWaalsContact CB-OE2 3.25Å; S506-E570 WeakPolarHBondContact CB-OE2 3.33Å; S506-E570 PolarHBondContact N-OE1 2.91Å; S506-E570 VanDerWaalsContact N-OE1 3.09Å; S506-E570 PolarHBondContact OG-OE2 3Å
507	D	95.6	Very high	96.7	Very high	65 Å²	65	24 Å²	24	35%	0.348	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-62.3	-34.7	178.8	-54.1	-56.8	0	0	0	113	T467 K505 I509	T467-D507 WeakPolarHBondContact CB-OD1 3.22Å; T467-D507 WeakPolarHBondContact CG2-OD1 3.12Å; T467-D507 WeakPolarHBondContact OG1-CA 3.24Å; T467-D507 PolarHBondContact OG1-N 3.01Å; T467-D507 PolarHBondContact OG1-OD1 3.43Å; K505-D507 VanDerWaalsContact C-N 3.28Å; K505-D507 HydrophobicContact CD-CB 4.14Å; K505-D507 WeakPolarHBondContact CD-OD2 3.15Å; K505-D507 HydrophobicContact CG-CB 4.1Å; K505-D507 PolarHBondContact O-N 2.92Å; D507-I509 VanDerWaalsContact C-N 3.28Å; D507-I509 PolarHBondContact O-N 3.31Å
508	S	97	Very high	97	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-86.3	0.7	-175.3	-60.9	0	0	0	0	112.9	D503 K505 S506 S520	D503-S508 PolarHBondContact O-OG 2.85Å; K505-S508 WeakPolarHBondContact CE-OG 3.42Å; K505-S508 PolarHBondContact O-N 2.7Å; K505-S508 VanDerWaalsContact O-N 3.16Å; S506-S508 VanDerWaalsContact C-N 3.28Å; S506-S508 PolarHBondContact O-N 2.77Å; S508-S520 WeakPolarHBondContact O-CB 3.38Å; S508-S520 PolarHBondContact O-N 3.36Å
509	I	98.4	Very high	97.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	113.7	174.4	-55.6	-47.7	0	0	0	109.2	A465 L466 V487 S506 D507 V517 L519 M567	A465-I509 CarbonylContact C-O 3.59Å; A465-I509 WeakPolarHBondContact CA-O 3.49Å; L466-I509 HydrophobicContact CB-CB 3.93Å; L466-I509 HydrophobicContact CB-CG2 4.17Å; L466-I509 HydrophobicContact CD2-CB 4.11Å; L466-I509 HydrophobicContact CD2-CG1 4.41Å; L466-I509 HydrophobicContact CD2-CG2 4.11Å; L466-I509 PolarHBondContact N-O 2.95Å; V487-I509 HydrophobicContact CG1-CD1 4.35Å; V487-I509 HydrophobicContact CG2-CD1 3.5Å; V487-I509 VanDerWaalsContact CG2-CD1 3.5Å; V487-I509 HydrophobicContact CG2-CG1 4.13Å; S506-I509 PolarHBondContact O-N 3.43Å; D507-I509 VanDerWaalsContact C-N 3.28Å; D507-I509 PolarHBondContact O-N 3.31Å; I509-V517 HydrophobicContact CG2-CG1 3.4Å; I509-V517 VanDerWaalsContact CG2-CG1 3.4Å; I509-L519 HydrophobicContact CD1-CD1 3.79Å; I509-M567 HydrophobicContact CD1-SD 4.33Å; I509-M567 HydrophobicContact CG1-CE 4.03Å; I509-M567 HydrophobicContact CG1-SD 3.52Å; I509-M567 VanDerWaalsContact CG1-SD 3.52Å
510	L	97.6	Very high	97.2	Very high	36 Å²	36	20.9 Å²	20.9	19%	0.188	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	153.9	-179.2	-60.1	-175.1	0	0	0	111.4	V442 L461 G464 A465 K518	V442-L510 HydrophobicContact CG2-CD1 4.22Å; L461-L510 HydrophobicContact CB-CB 4.1Å; L461-L510 HydrophobicContact CD1-CB 3.4Å; L461-L510 HydrophobicContact CD1-CD1 4.09Å; L461-L510 HydrophobicContact CD1-CG 4.39Å; L461-L510 HydrophobicContact CG-CB 4.38Å; G464-L510 WeakPolarHBondContact O-CA 3.27Å; A465-L510 HydrophobicContact CB-CD2 3.93Å; L510-K518 PolarHBondContact N-O 3.39Å; L510-K518 PolarHBondContact O-N 3.14Å
511	L	97.8	Very high	96.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.9	-172.9	-59.8	176.6	0	0	0	112.5	L461 G463 G464 I469 R516 V517 I644 M648	L461-L511 CarbonylContact C-O 3.49Å; L461-L511 WeakPolarHBondContact CB-O 3.49Å; G463-L511 WeakPolarHBondContact CA-O 3.14Å; G463-L511 PolarHBondContact N-O 2.88Å; G464-L511 PolarHBondContact O-N 3.45Å; I469-L511 HydrophobicContact CD1-CD1 3.35Å; L511-R516 WeakPolarHBondContact CA-O 3.37Å; L511-V517 HydrophobicContact CD2-CB 4.2Å; L511-V517 HydrophobicContact CD2-CG1 4.27Å; L511-V517 HydrophobicContact CD2-CG2 3.75Å; L511-I644 HydrophobicContact CD1-CG2 3.97Å; L511-I644 HydrophobicContact CD2-CG2 4.24Å; L511-M648 HydrophobicContact CB-SD 3.77Å; L511-M648 HydrophobicContact CD1-CG 4.09Å; L511-M648 HydrophobicContact CD1-SD 4.04Å
512	T	96.5	Very high	96.6	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.018	11%	0.11	C	C	.	.			trans	-76.2	160.5	166.9	67.1	0	0	0	0	110.6	L461 D514 G515 R516 M648	L461-T512 HydrophobicContact CD2-CG2 3.44Å; L461-T512 VanDerWaalsContact CD2-CG2 3.44Å; T512-D514 WeakPolarHBondContact CB-OD1 3.46Å; T512-D514 PolarHBondContact O-N 2.86Å; T512-D514 VanDerWaalsContact O-N 3.15Å; T512-D514 VanDerWaalsContact OG1-CG 3.29Å; T512-D514 PolarHBondContact OG1-N 3.32Å; T512-D514 PolarHBondContact OG1-OD1 2.88Å; T512-G515 PolarHBondContact O-N 2.9Å; T512-G515 PolarHBondContact OG1-N 2.85Å; T512-R516 HydrophobicContact CG2-CB 4Å; T512-R516 PolarHBondContact N-O 2.87Å; T512-R516 WeakPolarHBondContact OG1-CB 3.23Å; T512-R516 PolarHBondContact OG1-N 3.11Å; T512-M648 VanDerWaalsContact O-CE 3.3Å; T512-M648 WeakPolarHBondContact O-CE 3.48Å
513	H	94	Very high	96.1	Very high	116 Å²	116	23 Å²	23	54%	0.537	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.7	173.8	70.6	-96.4	0	0	0	114.3	E462	E462-H513 HydrophobicContact CB-CB 4.4Å; E462-H513 VanDerWaalsContact CD-ND1 3.31Å; E462-H513 IonicContact OE1-CE1 3.77Å; E462-H513 IonicContact OE1-CG 2.61Å; E462-H513 IonicContact OE1-ND1 2.76Å; E462-H513 PolarHBondContact OE1-ND1 3.44Å; E462-H513 IonicContact OE2-CG 2.69Å; E462-H513 PolarHBondContact OE2-N 2.83Å; E462-H513 IonicContact OE2-ND1 3.52Å; E462-H513 PolarHBondContact OE2-ND1 2.86Å
514	D	95.8	Very high	95.9	Very high	52 Å²	52	24.7 Å²	24.7	28%	0.278	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	0.8	176.2	69.6	-65.5	0	0	0	113.9	T512 R516 P641 V645	T512-D514 WeakPolarHBondContact CB-OD1 3.46Å; T512-D514 PolarHBondContact O-N 2.86Å; T512-D514 VanDerWaalsContact O-N 3.15Å; T512-D514 VanDerWaalsContact OG1-CG 3.29Å; T512-D514 PolarHBondContact OG1-N 3.32Å; T512-D514 PolarHBondContact OG1-OD1 2.88Å; D514-R516 IonicContact OD1-CZ 2.61Å; D514-R516 IonicContact OD1-NE 3.43Å; D514-R516 PolarHBondContact OD1-NE 2.64Å; D514-R516 IonicContact OD1-NH2 3.24Å; D514-R516 PolarHBondContact OD1-NH2 2.85Å; D514-R516 IonicContact OD2-CZ 2.81Å; D514-R516 IonicContact OD2-NE 3.6Å; D514-R516 PolarHBondContact OD2-NE 3.26Å; D514-R516 IonicContact OD2-NH2 2.75Å; D514-P641 CarbonylContact O-C 3.35Å; D514-P641 WeakPolarHBondContact O-CB 3.27Å; D514-V645 VanDerWaalsContact C-CG2 3.43Å; D514-V645 VanDerWaalsContact O-CG2 3.31Å; D514-V645 WeakPolarHBondContact O-CG2 3.22Å
515	G	96.9	Very high	95.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.117	C	C	.	.			trans	87.6	14.2	171.6	0	0	0	0	0	115.4	T512	T512-G515 PolarHBondContact O-N 2.9Å; T512-G515 PolarHBondContact OG1-N 2.85Å
516	R	98.3	Very high	95.3	Very high	109 Å²	109	24 Å²	24	41%	0.411	11%	0.114	S	C	.	.			trans	-71	146.5	167.3	-71.7	173.7	-73.2	136.5	7.4	109.6	L511 T512 D514 P641	L511-R516 WeakPolarHBondContact CA-O 3.37Å; T512-R516 HydrophobicContact CG2-CB 4Å; T512-R516 PolarHBondContact N-O 2.87Å; T512-R516 WeakPolarHBondContact OG1-CB 3.23Å; T512-R516 PolarHBondContact OG1-N 3.11Å; D514-R516 IonicContact OD1-CZ 2.61Å; D514-R516 IonicContact OD1-NE 3.43Å; D514-R516 PolarHBondContact OD1-NE 2.64Å; D514-R516 IonicContact OD1-NH2 3.24Å; D514-R516 PolarHBondContact OD1-NH2 2.85Å; D514-R516 IonicContact OD2-CZ 2.81Å; D514-R516 IonicContact OD2-NE 3.6Å; D514-R516 PolarHBondContact OD2-NE 3.26Å; D514-R516 IonicContact OD2-NH2 2.75Å; R516-P641 HydrophobicContact CG-CB 4.05Å; R516-P641 HydrophobicContact CG-CG 3.93Å
517	V	98.6	Very high	94.9	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.012	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.2	-171.5	-176.3	0	0	0	0	109.3	N440 V483 V487 I509 L511	N440-V517 PolarHBondContact ND2-O 2.73Å; V483-V517 HydrophobicContact CG1-CG1 4.34Å; V483-V517 HydrophobicContact CG2-CG1 4.43Å; V483-V517 HydrophobicContact CG2-CG2 4.03Å; V487-V517 HydrophobicContact CG2-CG1 4.42Å; I509-V517 HydrophobicContact CG2-CG1 3.4Å; I509-V517 VanDerWaalsContact CG2-CG1 3.4Å; L511-V517 HydrophobicContact CD2-CB 4.2Å; L511-V517 HydrophobicContact CD2-CG1 4.27Å; L511-V517 HydrophobicContact CD2-CG2 3.75Å
518	K	98.5	Very high	94.6	Very high	19 Å²	19	23.8 Å²	23.8	8%	0.083	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.4	-179	-73.9	-174.7	161	-169.2	0	112.6	D439 N440 V441 V442 E459 L461 L510	D439-K518 WeakPolarHBondContact O-CE 3.5Å; N440-K518 WeakPolarHBondContact O-CA 3.21Å; V441-K518 WeakPolarHBondContact O-CD 3.43Å; V441-K518 WeakPolarHBondContact O-CE 3.46Å; V442-K518 HydrophobicContact CG2-CB 4.18Å; E459-K518 VanDerWaalsContact OE1-CD 3.24Å; E459-K518 WeakPolarHBondContact OE1-CD 3.49Å; E459-K518 WeakPolarHBondContact OE1-CE 3.13Å; E459-K518 IonicContact OE1-NZ 3.76Å; E459-K518 PolarHBondContact OE1-NZ 3.09Å; E459-K518 IonicContact OE2-NZ 2.81Å; E459-K518 PolarHBondContact OE2-NZ 3.06Å; L461-K518 HydrophobicContact CD1-CB 3.93Å; L461-K518 HydrophobicContact CD1-CD 4.13Å; L461-K518 HydrophobicContact CD2-CD 4.23Å; L510-K518 PolarHBondContact N-O 3.39Å; L510-K518 PolarHBondContact O-N 3.14Å
519	L	97.9	Very high	94.1	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	135.8	175.6	177.2	60.9	0	0	0	111.2	N440 V442 A490 L491 L494 I504 I509 F522	N440-L519 WeakPolarHBondContact O-CB 3.33Å; N440-L519 PolarHBondContact O-N 2.93Å; V442-L519 WeakPolarHBondContact CG2-O 3.25Å; V442-L519 PolarHBondContact N-O 3.38Å; A490-L519 HydrophobicContact CB-CB 4.39Å; A490-L519 HydrophobicContact CB-CD2 4.27Å; L491-L519 HydrophobicContact CD2-CD2 4.37Å; L494-L519 HydrophobicContact CD1-CD2 3.9Å; I504-L519 HydrophobicContact CD1-CD1 3.46Å; I504-L519 VanDerWaalsContact CD1-CD1 3.46Å; I504-L519 HydrophobicContact CD1-CD2 4Å; I504-L519 HydrophobicContact CD1-CG 4.41Å; I509-L519 HydrophobicContact CD1-CD1 3.79Å; L519-F522 HydrophobicContact CB-CZ 4.42Å; L519-F522 HydrophobicContact CD2-CE1 4.35Å; L519-F522 HydrophobicContact CD2-CZ 4.23Å; L519-F522 HydrophobicContact CG-CE1 4.46Å; L519-F522 HydrophobicContact CG-CZ 3.95Å; L519-F522 VanDerWaalsContact O-CE2 3.31Å; L519-F522 WeakPolarHBondContact O-CE2 3.26Å
520	S	94.6	Very high	93.3	Very high	5 Å²	5	34.2 Å²	34.2	4%	0.035	16%	0.164	C	C	.	.			trans	-132.8	176.5	-175.2	-166.1	0	0	0	0	112	H501 S508	H501-S520 PolarHBondContact CE1-O 2.95Å; H501-S520 VanDerWaalsContact CE1-O 3.23Å; H501-S520 PolarHBondContact NE2-O 2.67Å; H501-S520 VanDerWaalsContact NE2-O 3.15Å; S508-S520 WeakPolarHBondContact O-CB 3.38Å; S508-S520 PolarHBondContact O-N 3.36Å
521	D	90.9	Very high	92.7	Very high	47 Å²	47	39.6 Å²	39.6	25%	0.251	19%	0.188	S	C	.	.			trans	66.1	50	174.7	-70.3	-40	0	0	0	116.5	K413 G523	K413-D521 IonicContact NZ-OD1 3.4Å; K413-D521 PolarHBondContact NZ-OD1 3.27Å; D521-G523 PolarHBondContact O-N 3.1Å
522	F	91.2	Very high	92.1	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-64.9	-5	179.7	-65.1	-89.5	0	0	0	115.7	N428 I432 M433 V441 L494 H501 L519 F524 C525	N428-F522 WeakPolarHBondContact CB-O 3.37Å; I432-F522 HydrophobicContact CB-CB 4.44Å; I432-F522 HydrophobicContact CG2-CB 4.36Å; I432-F522 HydrophobicContact CG2-CD1 3.65Å; I432-F522 HydrophobicContact CG2-CE1 4.4Å; I432-F522 HydrophobicContact CG2-CG 4.27Å; M433-F522 HydrophobicContact CE-CD2 4.04Å; M433-F522 HydrophobicContact CE-CE2 4.28Å; M433-F522 HydrophobicContact CG-CB 3.97Å; M433-F522 HydrophobicContact CG-CD2 3.53Å; M433-F522 HydrophobicContact CG-CE2 4.29Å; M433-F522 HydrophobicContact CG-CG 3.84Å; M433-F522 HydrophobicContact SD-CB 4.43Å; M433-F522 HydrophobicContact SD-CD2 3.7Å; M433-F522 HydrophobicContact SD-CG 4.42Å; V441-F522 HydrophobicContact CB-CZ 4.41Å; V441-F522 HydrophobicContact CG1-CE2 3.96Å; V441-F522 HydrophobicContact CG1-CZ 3.62Å; V441-F522 HydrophobicContact CG2-CZ 4.17Å; L494-F522 HydrophobicContact CD1-CE1 3.99Å; L494-F522 HydrophobicContact CD2-CE1 4.45Å; H501-F522 AromaticContact CD2-CD1 3.78Å; H501-F522 AromaticContact CD2-CE1 3.84Å; H501-F522 AromaticContact NE2-CD1 3.96Å; L519-F522 HydrophobicContact CB-CZ 4.42Å; L519-F522 HydrophobicContact CD2-CE1 4.35Å; L519-F522 HydrophobicContact CD2-CZ 4.23Å; L519-F522 HydrophobicContact CG-CE1 4.46Å; L519-F522 HydrophobicContact CG-CZ 3.95Å; L519-F522 VanDerWaalsContact O-CE2 3.31Å; L519-F522 WeakPolarHBondContact O-CE2 3.26Å; F522-F524 VanDerWaalsContact C-N 3.26Å; F522-F524 PolarHBondContact O-N 2.67Å; F522-F524 VanDerWaalsContact O-N 3.17Å; F522-C525 WeakPolarHBondContact O-CB 3.37Å; F522-C525 PolarHBondContact O-N 3.02Å; F522-C525 PolarHBondContact O-SG 3.18Å
523	G	87.8	Confident	91.6	Very high	2 Å²	2	48.1 Å²	48.1	2%	0.021	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-56.4	-33.5	-178.8	0	0	0	0	0	115.1	L425 N428 E429 D521 C525	L425-G523 WeakPolarHBondContact CB-O 3.4Å; N428-G523 PolarHBondContact ND2-O 3.22Å; E429-G523 WeakPolarHBondContact OE1-CA 3.43Å; E429-G523 PolarHBondContact OE1-N 2.71Å; E429-G523 PolarHBondContact OE2-N 3.13Å; D521-G523 PolarHBondContact O-N 3.1Å; G523-C525 VanDerWaalsContact C-N 3.3Å; G523-C525 PolarHBondContact O-N 3.35Å
524	F	91.6	Very high	91.5	Very high	42 Å²	42	47.9 Å²	47.9	18%	0.184	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-85.2	5.1	175.6	-69.8	-12.3	0	0	0	114.4	T395 L425 H501 R502 D503 F522	T395-F524 HydrophobicContact CG2-CE1 4.44Å; L425-F524 HydrophobicContact CD1-CD1 3.92Å; L425-F524 HydrophobicContact CD1-CE1 4.27Å; H501-F524 CarbonylContact O-C 3.44Å; R502-F524 PolarHBondContact NE-O 2.98Å; R502-F524 PolarHBondContact NH2-O 2.69Å; D503-F524 HydrophobicContact CB-CB 4.2Å; D503-F524 HydrophobicContact CB-CD2 3.9Å; D503-F524 WeakPolarHBondContact OD2-CD2 3.41Å; F522-F524 VanDerWaalsContact C-N 3.26Å; F522-F524 PolarHBondContact O-N 2.67Å; F522-F524 VanDerWaalsContact O-N 3.17Å
525	C	93.4	Very high	91.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.215	C	C	.	.			trans	-58.6	163.1	177.3	-72.2	0	0	0	0	113.5	N428 I432 V499 I500 H501 R502 F522 G523	N428-C525 HydrophobicContact CB-CB 4.36Å; N428-C525 PolarHBondContact ND2-O 3.06Å; I432-C525 HydrophobicContact CG1-CB 4.12Å; V499-C525 HydrophobicContact CG1-CB 4.23Å; I500-C525 CarbonylContact O-C 3.44Å; I500-C525 WeakPolarHBondContact O-CA 3.47Å; H501-C525 PolarHBondContact O-N 2.81Å; R502-C525 PolarHBondContact NH2-O 2.92Å; F522-C525 WeakPolarHBondContact O-CB 3.37Å; F522-C525 PolarHBondContact O-N 3.02Å; F522-C525 PolarHBondContact O-SG 3.18Å; G523-C525 VanDerWaalsContact C-N 3.3Å; G523-C525 PolarHBondContact O-N 3.35Å
526	A	91.6	Very high	91.2	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.017	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	140.7	159.7	0	0	0	0	0	110.5	I500 R502 R535	I500-A526 PolarHBondContact N-O 3.48Å; I500-A526 PolarHBondContact O-N 3.35Å; R502-A526 VanDerWaalsContact CZ-CB 3.42Å; A526-R535 HydrophobicContact CB-CG 4Å
527	Q	88.9	Confident	90.8	Very high	40 Å²	40	48.9 Å²	48.9	19%	0.187	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	141	160.4	-168.2	60.5	42.7	0	0	109.7	T82 Y436 Q497 G498	T82-Q527 HydrophobicContact CG2-CG 4.44Å; Y436-Q527 PolarHBondContact OH-OE1 3.47Å; Q497-Q527 PolarHBondContact O-NE2 3.32Å; G498-Q527 CarbonylContact O-C 3.5Å; G498-Q527 PolarHBondContact O-NE2 2.96Å
528	V	88.6	Confident	90.6	Very high	21 Å²	21	50.9 Å²	50.9	13%	0.127	24%	0.243	C	C	.	.			trans	-112.8	150.7	157.8	-70.1	0	0	0	0	110	G498 I500 V532 R535	G498-V528 VanDerWaalsContact O-CG2 3.23Å; G498-V528 WeakPolarHBondContact O-CG2 3.43Å; G498-V528 PolarHBondContact O-N 3.14Å; I500-V528 HydrophobicContact CD1-CG1 3.75Å; I500-V528 HydrophobicContact CD1-CG2 4.5Å; V528-V532 WeakPolarHBondContact CA-O 3.32Å; V528-V532 VanDerWaalsContact CB-O 3.24Å; V528-V532 WeakPolarHBondContact CB-O 3.29Å; V528-V532 WeakPolarHBondContact CG1-O 3.48Å; V528-R535 HydrophobicContact CG1-CG 3.87Å
529	S	86.6	Confident	90.3	Very high	46 Å²	46	50.5 Å²	50.5	32%	0.322	24%	0.242	S	C	.	.			trans	-128.9	-176.1	-179.2	81.3	0	0	0	0	110.8	E531 V532 Q533	S529-E531 WeakPolarHBondContact CB-OE2 3.1Å; S529-E531 PolarHBondContact O-N 3.3Å; S529-E531 PolarHBondContact OG-N 3.08Å; S529-E531 PolarHBondContact OG-OE2 2.78Å; S529-V532 PolarHBondContact N-O 3.01Å; S529-V532 VanDerWaalsContact N-O 3.1Å; S529-V532 CarbonylContact O-C 3.58Å; S529-V532 PolarHBondContact OG-N 3.36Å; S529-Q533 VanDerWaalsContact O-CA 3.3Å; S529-Q533 WeakPolarHBondContact O-CA 3.47Å; S529-Q533 VanDerWaalsContact O-CG 3.25Å; S529-Q533 WeakPolarHBondContact O-CG 3.42Å; S529-Q533 PolarHBondContact O-N 3.35Å
530	K	82.2	Confident	90.1	Very high	174 Å²	174	51 Å²	51	76%	0.757	25%	0.248	S	C	*	.	S	Bend	trans	-69.2	-26.1	174.7	-68.4	176.5	-179.2	173.9	0	112	Q533	K530-Q533 WeakPolarHBondContact O-CG 3.44Å; K530-Q533 PolarHBondContact O-NE2 3.04Å
531	E	84.5	Confident	90.1	Very high	149 Å²	149	52.3 Å²	52.3	70%	0.696	26%	0.256	S	S	*	.	S	Bend	trans	-85.7	-44.2	179.5	-53.3	66.3	-142.9	0	0	110.5	S529	S529-E531 WeakPolarHBondContact CB-OE2 3.1Å; S529-E531 PolarHBondContact O-N 3.3Å; S529-E531 PolarHBondContact OG-N 3.08Å; S529-E531 PolarHBondContact OG-OE2 2.78Å
532	V	85.5	Confident	90.4	Very high	47 Å²	47	51 Å²	51	29%	0.285	25%	0.249	S	C	.	.	S	Bend	trans	-116.6	70.6	-180	-170.1	0	0	0	0	110	V528 S529 R534	V528-V532 WeakPolarHBondContact CA-O 3.32Å; V528-V532 VanDerWaalsContact CB-O 3.24Å; V528-V532 WeakPolarHBondContact CB-O 3.29Å; V528-V532 WeakPolarHBondContact CG1-O 3.48Å; S529-V532 PolarHBondContact N-O 3.01Å; S529-V532 VanDerWaalsContact N-O 3.1Å; S529-V532 CarbonylContact O-C 3.58Å; S529-V532 PolarHBondContact OG-N 3.36Å; V532-R534 VanDerWaalsContact C-N 3.3Å; V532-R534 PolarHBondContact O-N 2.88Å
533	Q	85.9	Confident	90.8	Very high	134 Å²	134	52.2 Å²	52.2	63%	0.626	25%	0.254	S	S	*	.			trans	-72.5	-15.9	-173.5	-60.4	176	13.4	0	0	114.8	S529 K530	S529-Q533 VanDerWaalsContact O-CA 3.3Å; S529-Q533 WeakPolarHBondContact O-CA 3.47Å; S529-Q533 VanDerWaalsContact O-CG 3.25Å; S529-Q533 WeakPolarHBondContact O-CG 3.42Å; S529-Q533 PolarHBondContact O-N 3.35Å; K530-Q533 WeakPolarHBondContact O-CG 3.44Å; K530-Q533 PolarHBondContact O-NE2 3.04Å
534	R	91.8	Very high	91.3	Very high	111 Å²	111	52.7 Å²	52.7	42%	0.419	26%	0.255	S	S	.	.			trans	-143.5	141.3	-172.8	-68.9	-69.2	-179.4	145.2	-23.9	111.1	V532 P554 Y555 E558	V532-R534 VanDerWaalsContact C-N 3.3Å; V532-R534 PolarHBondContact O-N 2.88Å; R534-P554 HydrophobicContact CB-CB 3.66Å; R534-P554 HydrophobicContact CG-CB 4.04Å; R534-P554 PolarHBondContact NH1-O 2.64Å; R534-P554 VanDerWaalsContact NH1-O 3.09Å; R534-Y555 CarbonylContact C-O 3.38Å; R534-Y555 WeakPolarHBondContact CA-O 3.48Å; R534-Y555 WeakPolarHBondContact CD-O 3.5Å; R534-E558 IonicContact CZ-OE1 2.7Å; R534-E558 VanDerWaalsContact CZ-OE1 3.28Å; R534-E558 IonicContact NH1-OE1 2.64Å; R534-E558 PolarHBondContact NH1-OE1 2.94Å; R534-E558 VanDerWaalsContact NH1-OE1 3.16Å; R534-E558 IonicContact NH1-OE2 2.73Å; R534-E558 IonicContact NH2-OE1 2.7Å; R534-E558 PolarHBondContact NH2-OE1 2.85Å; R534-E558 IonicContact NH2-OE2 3.63Å
535	R	92.8	Very high	91.6	Very high	20 Å²	20	51.3 Å²	51.3	8%	0.075	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-100.7	156.5	177.1	-52.8	-61.9	-68.4	-164.6	-6.6	110.5	D89 I500 A526 V528 P554 Y555	D89-R535 VanDerWaalsContact CG-NH1 3.31Å; D89-R535 IonicContact OD1-CZ 3.92Å; D89-R535 IonicContact OD1-NH1 3.28Å; D89-R535 IonicContact OD1-NH2 3.79Å; D89-R535 PolarHBondContact OD1-NH2 2.94Å; D89-R535 IonicContact OD2-CZ 3.2Å; D89-R535 IonicContact OD2-NH1 2.94Å; D89-R535 PolarHBondContact OD2-NH1 3.1Å; D89-R535 IonicContact OD2-NH2 2.66Å; D89-R535 PolarHBondContact OD2-NH2 3.12Å; I500-R535 HydrophobicContact CD1-CG 4.03Å; A526-R535 HydrophobicContact CB-CG 4Å; V528-R535 HydrophobicContact CG1-CG 3.87Å; R535-P554 WeakPolarHBondContact O-CA 3.1Å; R535-Y555 HydrophobicContact CB-CD2 4.25Å; R535-Y555 HydrophobicContact CB-CE1 4.25Å; R535-Y555 HydrophobicContact CB-CE2 3.64Å; R535-Y555 HydrophobicContact CG-CE2 4.41Å; R535-Y555 PolarHBondContact N-O 2.96Å; R535-Y555 VanDerWaalsContact O-CD1 3.3Å; R535-Y555 WeakPolarHBondContact O-CD1 3.47Å; R535-Y555 PolarHBondContact O-N 3.39Å
536	K	93.1	Very high	91.9	Very high	137 Å²	137	51.4 Å²	51.4	60%	0.596	25%	0.25	S	S	*	.			trans	-130.8	-0.3	179.9	-69.1	174.1	178.1	170.8	0	113.9
537	S	91.8	Very high	92.2	Very high	26 Å²	26	51.4 Å²	51.4	18%	0.182	25%	0.25	C	S	.	.			trans	-78.6	131	-177.9	58.3	0	0	0	0	111.5	R502 V539 Y555	R502-S537 PolarHBondContact NH1-OG 3.35Å; S537-V539 PolarHBondContact O-N 3.34Å; S537-Y555 WeakPolarHBondContact O-CE1 3.35Å; S537-Y555 PolarHBondContact O-OH 2.97Å; S537-Y555 PolarHBondContact OG-OH 2.9Å
538	L	94	Very high	92.7	Very high	44 Å²	44	50 Å²	50	23%	0.23	24%	0.244	C	C	.	.			trans	-77.7	109.5	168.2	-175.2	79.6	0	0	0	108.8	M545 L549	L538-M545 HydrophobicContact CD1-CE 4.3Å; L538-M545 HydrophobicContact CD1-SD 3.62Å; L538-M545 HydrophobicContact CG-CE 4.3Å; L538-M545 HydrophobicContact CG-SD 4.25Å; L538-L549 HydrophobicContact CD1-CD2 3.8Å
539	V	92.2	Very high	93.1	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.067	24%	0.238	C	C	.	.			trans	-146.4	170.3	176	-64.7	0	0	0	0	108.3	L425 R502 S537	L425-V539 HydrophobicContact CD1-CG1 4.37Å; R502-V539 HydrophobicContact CB-CG2 4.15Å; R502-V539 VanDerWaalsContact CZ-CG2 3.43Å; S537-V539 PolarHBondContact O-N 3.34Å
540	G	93	Very high	93.6	Very high	11 Å²	11	47.9 Å²	47.9	11%	0.113	23%	0.228	C	C	.	.	S	Bend	trans	96.9	-179.8	-171.4	0	0	0	0	0	113.1	R502 D503 M545	R502-G540 WeakPolarHBondContact O-CA 3.4Å; D503-G540 WeakPolarHBondContact OD1-CA 3.38Å; G540-M545 WeakPolarHBondContact O-CE 3.32Å
541	T	95.4	Very high	94.3	Very high	33 Å²	33	41.9 Å²	41.9	20%	0.202	21%	0.208	C	C	.	.			trans	-93.8	124.7	-176.6	-52.7	0	0	0	0	111.3	D503 K505 Y543 W544 M545	D503-T541 VanDerWaalsContact OD1-CB 3.26Å; D503-T541 WeakPolarHBondContact OD1-CB 3.3Å; D503-T541 PolarHBondContact OD1-N 3.21Å; D503-T541 PolarHBondContact OD1-OG1 3.13Å; D503-T541 PolarHBondContact OD2-OG1 2.91Å; K505-T541 PolarHBondContact NZ-OG1 2.69Å; T541-Y543 VanDerWaalsContact C-N 3.34Å; T541-Y543 PolarHBondContact O-N 3.25Å; T541-W544 HydrophobicContact CG2-CE3 3.48Å; T541-W544 VanDerWaalsContact CG2-CE3 3.48Å; T541-W544 HydrophobicContact CG2-CH2 4.46Å; T541-W544 HydrophobicContact CG2-CZ3 3.35Å; T541-W544 PolarHBondContact O-N 3.07Å; T541-M545 PolarHBondContact O-N 2.8Å
542	P	97.3	Very high	94.8	Very high	19 Å²	19	40.7 Å²	40.7	12%	0.123	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-32.8	-164.3	-37.2	39.6	0	0	0	119.4	M545 P583 M587	P542-M545 HydrophobicContact CG-CE 4.3Å; P542-P583 HydrophobicContact CB-CB 3.82Å; P542-P583 HydrophobicContact CG-CB 3.95Å; P542-M587 HydrophobicContact CB-CE 4.1Å; P542-M587 HydrophobicContact CB-CG 3.9Å; P542-M587 HydrophobicContact CB-SD 4Å; P542-M587 HydrophobicContact CG-CE 4.25Å; P542-M587 HydrophobicContact CG-SD 4.37Å; P542-M587 WeakPolarHBondContact O-CG 3.4Å
543	Y	98.2	Very high	95.3	Very high	27 Å²	27	42.9 Å²	42.9	11%	0.106	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-18.4	-177.8	-53	-89.7	0	0	0	113.2	T541 P576 Y578 F579 E581 P583 A586 I590	T541-Y543 VanDerWaalsContact C-N 3.34Å; T541-Y543 PolarHBondContact O-N 3.25Å; Y543-P576 HydrophobicContact CG-CG 4.44Å; Y543-Y578 VanDerWaalsContact CE1-O 3.25Å; Y543-Y578 WeakPolarHBondContact CE1-O 3.43Å; Y543-F579 HydrophobicContact CD2-CD2 4.34Å; Y543-F579 HydrophobicContact CE2-CD2 4.35Å; Y543-F579 HydrophobicContact CG-CD2 4.49Å; Y543-E581 WeakPolarHBondContact CE1-O 3.29Å; Y543-E581 PolarHBondContact OH-O 3.22Å; Y543-P583 HydrophobicContact CE2-CG 4.24Å; Y543-P583 WeakPolarHBondContact OH-CD 3.25Å; Y543-P583 WeakPolarHBondContact OH-CG 3.45Å; Y543-A586 HydrophobicContact CD1-CB 3.54Å; Y543-A586 HydrophobicContact CE1-CB 3.43Å; Y543-A586 VanDerWaalsContact CE1-CB 3.43Å; Y543-I590 WeakPolarHBondContact O-CD1 3.49Å
544	W	98.7	Very high	95.9	Very high	13 Å²	13	39.6 Å²	39.6	5%	0.049	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-11.7	-180	-65.3	-103.3	0	0	0	113.3	I504 K505 T541 S563 I566 E570 P576	I504-W544 VanDerWaalsContact O-CD1 3.27Å; K505-W544 HydrophobicContact CB-CD2 3.86Å; K505-W544 VanDerWaalsContact CB-CE2 3.49Å; K505-W544 HydrophobicContact CB-CG 3.95Å; K505-W544 HydrophobicContact CB-CZ2 3.98Å; K505-W544 VanDerWaalsContact CB-NE1 3.34Å; T541-W544 HydrophobicContact CG2-CE3 3.48Å; T541-W544 VanDerWaalsContact CG2-CE3 3.48Å; T541-W544 HydrophobicContact CG2-CH2 4.46Å; T541-W544 HydrophobicContact CG2-CZ3 3.35Å; T541-W544 PolarHBondContact O-N 3.07Å; W544-S563 WeakPolarHBondContact O-CB 3.2Å; W544-S563 PolarHBondContact O-OG 2.84Å; W544-I566 HydrophobicContact CB-CG2 4.43Å; W544-I566 VanDerWaalsContact CD1-CG2 3.48Å; W544-I566 HydrophobicContact CD2-CG2 4.44Å; W544-I566 HydrophobicContact CG-CB 4.36Å; W544-I566 HydrophobicContact CG-CG2 3.87Å; W544-E570 HydrophobicContact CZ2-CG 4.45Å; W544-E570 WeakPolarHBondContact CZ2-OE2 3.46Å; W544-E570 PolarHBondContact NE1-OE1 2.97Å; W544-P576 HydrophobicContact CH2-CG 3.78Å; W544-P576 HydrophobicContact CZ2-CB 4.1Å; W544-P576 HydrophobicContact CZ2-CG 3.74Å; W544-P576 HydrophobicContact CZ3-CG 4.31Å
545	M	98.6	Very high	96.1	Very high	13 Å²	13	34.3 Å²	34.3	6%	0.064	18%	0.177	C	C	.	.			trans	-61.5	136.5	-176.3	-70.7	-173.4	-175.3	0	0	112.5	L538 G540 T541 P542 L549 I550 W562 M587	L538-M545 HydrophobicContact CD1-CE 4.3Å; L538-M545 HydrophobicContact CD1-SD 3.62Å; L538-M545 HydrophobicContact CG-CE 4.3Å; L538-M545 HydrophobicContact CG-SD 4.25Å; G540-M545 WeakPolarHBondContact O-CE 3.32Å; T541-M545 PolarHBondContact O-N 2.8Å; P542-M545 HydrophobicContact CG-CE 4.3Å; M545-L549 HydrophobicContact CB-CD2 3.83Å; M545-L549 HydrophobicContact CG-CD2 3.71Å; M545-L549 HydrophobicContact SD-CD2 3.66Å; M545-I550 HydrophobicContact CB-CD1 3.83Å; M545-I550 HydrophobicContact CB-CG1 3.64Å; M545-I550 HydrophobicContact SD-CG1 4.15Å; M545-W562 PolarHBondContact O-NE1 3.03Å; M545-M587 HydrophobicContact CE-SD 4.17Å; M545-M587 HydrophobicContact SD-CG 4.27Å; M545-M587 HydrophobicContact SD-SD 3.5Å
546	A	98.7	Very high	96.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.008	17%	0.173	C	C	.	.			trans	-70.1	147.2	174.9	0	0	0	0	0	112.6	E548 L549 I550 V559 W562	A546-E548 VanDerWaalsContact C-N 3.29Å; A546-E548 WeakPolarHBondContact CB-OE1 3.21Å; A546-E548 WeakPolarHBondContact CB-OE2 3.4Å; A546-E548 PolarHBondContact O-N 3.35Å; A546-L549 HydrophobicContact CB-CB 4.4Å; A546-L549 WeakPolarHBondContact O-CB 3.16Å; A546-L549 PolarHBondContact O-N 2.85Å; A546-L549 VanDerWaalsContact O-N 3.08Å; A546-I550 WeakPolarHBondContact O-CG1 3.25Å; A546-I550 PolarHBondContact O-N 2.75Å; A546-V559 HydrophobicContact CB-CB 3.92Å; A546-V559 HydrophobicContact CB-CG1 3.92Å; A546-W562 VanDerWaalsContact CA-CD1 3.46Å; A546-W562 HydrophobicContact CB-CB 3.86Å; A546-W562 HydrophobicContact CB-CG 3.84Å
547	P	98.5	Very high	96.6	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.019	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-33.8	-174.2	23.7	-33.8	0	0	0	113.3	S551 W562	P547-S551 VanDerWaalsContact O-CB 3.27Å; P547-S551 WeakPolarHBondContact O-CB 3.36Å; P547-S551 PolarHBondContact O-N 2.91Å; P547-S551 PolarHBondContact O-OG 2.73Å; P547-W562 HydrophobicContact CG-CE3 4.32Å; P547-W562 HydrophobicContact CG-CH2 4.23Å; P547-W562 HydrophobicContact CG-CZ2 4.49Å; P547-W562 HydrophobicContact CG-CZ3 4.14Å
548	E	98.4	Very high	96.9	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.047	15%	0.154	C	C	.	.	H	α-helix	trans	-67.8	-37.2	175.5	67.8	-81.2	-166.9	0	0	112.7	A546 S551 R552 L553 V559 P620 R623	A546-E548 VanDerWaalsContact C-N 3.29Å; A546-E548 WeakPolarHBondContact CB-OE1 3.21Å; A546-E548 WeakPolarHBondContact CB-OE2 3.4Å; A546-E548 PolarHBondContact O-N 3.35Å; E548-S551 CarbonylContact O-C 3.56Å; E548-S551 WeakPolarHBondContact O-CB 3.49Å; E548-S551 PolarHBondContact O-N 3.34Å; E548-R552 PolarHBondContact O-N 2.7Å; E548-R552 VanDerWaalsContact O-N 3.16Å; E548-L553 HydrophobicContact CB-CB 4.27Å; E548-L553 HydrophobicContact CB-CD1 4.27Å; E548-L553 PolarHBondContact O-N 3.49Å; E548-V559 HydrophobicContact CG-CG1 4.38Å; E548-V559 WeakPolarHBondContact OE1-CG1 3.32Å; E548-P620 HydrophobicContact CB-CG 4.03Å; E548-P620 VanDerWaalsContact CD-CG 3.46Å; E548-P620 HydrophobicContact CG-CG 3.69Å; E548-R623 IonicContact OE1-CZ 2.73Å; E548-R623 IonicContact OE1-NH1 3.14Å; E548-R623 PolarHBondContact OE1-NH1 2.89Å; E548-R623 IonicContact OE1-NH2 2.71Å; E548-R623 PolarHBondContact OE1-NH2 2.87Å; E548-R623 IonicContact OE2-CZ 3.77Å; E548-R623 IonicContact OE2-NH1 3.28Å; E548-R623 IonicContact OE2-NH2 3.65Å; E548-R623 PolarHBondContact OE2-NH2 2.71Å
549	L	97.6	Very high	97.2	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-69.9	-41.3	178	176.4	150.3	0	0	0	110.7	L538 M545 A546 S551 R552 Y555 V559	L538-L549 HydrophobicContact CD1-CD2 3.8Å; M545-L549 HydrophobicContact CB-CD2 3.83Å; M545-L549 HydrophobicContact CG-CD2 3.71Å; M545-L549 HydrophobicContact SD-CD2 3.66Å; A546-L549 HydrophobicContact CB-CB 4.4Å; A546-L549 WeakPolarHBondContact O-CB 3.16Å; A546-L549 PolarHBondContact O-N 2.85Å; A546-L549 VanDerWaalsContact O-N 3.08Å; L549-S551 VanDerWaalsContact C-N 3.31Å; L549-S551 PolarHBondContact O-N 3.34Å; L549-R552 PolarHBondContact O-N 3.46Å; L549-Y555 HydrophobicContact CB-CD1 3.9Å; L549-Y555 HydrophobicContact CB-CE1 4.11Å; L549-Y555 HydrophobicContact CB-CG 4.33Å; L549-Y555 HydrophobicContact CD1-CD1 4.19Å; L549-Y555 HydrophobicContact CD1-CD2 4.28Å; L549-Y555 HydrophobicContact CD1-CE1 3.73Å; L549-Y555 HydrophobicContact CD1-CE2 3.85Å; L549-Y555 HydrophobicContact CD1-CG 4.45Å; L549-Y555 HydrophobicContact CG-CD1 4.07Å; L549-Y555 HydrophobicContact CG-CE1 3.73Å; L549-V559 HydrophobicContact CB-CG1 4.18Å; L549-V559 HydrophobicContact CD1-CB 4.4Å; L549-V559 HydrophobicContact CD1-CG1 4.19Å; L549-V559 HydrophobicContact CD1-CG2 4.46Å
550	I	97.9	Very high	97.5	Very high	20 Å²	20	26.2 Å²	26.2	10%	0.103	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-38.7	171.4	-59.6	162.7	0	0	0	110.7	M545 A546 R552 M587 I590 R591	M545-I550 HydrophobicContact CB-CD1 3.83Å; M545-I550 HydrophobicContact CB-CG1 3.64Å; M545-I550 HydrophobicContact SD-CG1 4.15Å; A546-I550 WeakPolarHBondContact O-CG1 3.25Å; A546-I550 PolarHBondContact O-N 2.75Å; I550-R552 PolarHBondContact O-N 3.16Å; I550-M587 HydrophobicContact CD1-CB 4.17Å; I550-M587 HydrophobicContact CD1-CG 4.09Å; I550-M587 HydrophobicContact CG1-CB 4.39Å; I550-M587 HydrophobicContact CG1-CG 4.17Å; I550-M587 HydrophobicContact CG2-CB 3.97Å; I550-I590 HydrophobicContact CD1-CB 3.82Å; I550-I590 HydrophobicContact CD1-CD1 4.45Å; I550-I590 HydrophobicContact CD1-CG2 3.6Å; I550-R591 HydrophobicContact CB-CB 4.42Å; I550-R591 HydrophobicContact CG2-CB 3.93Å; I550-R591 HydrophobicContact CG2-CG 4.23Å
551	S	96.6	Very high	97.8	Very high	48 Å²	48	25.8 Å²	25.8	34%	0.336	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-5	177.4	-58.5	0	0	0	0	114.5	P547 E548 L549 L553 R591	P547-S551 VanDerWaalsContact O-CB 3.27Å; P547-S551 WeakPolarHBondContact O-CB 3.36Å; P547-S551 PolarHBondContact O-N 2.91Å; P547-S551 PolarHBondContact O-OG 2.73Å; E548-S551 CarbonylContact O-C 3.56Å; E548-S551 WeakPolarHBondContact O-CB 3.49Å; E548-S551 PolarHBondContact O-N 3.34Å; L549-S551 VanDerWaalsContact C-N 3.31Å; L549-S551 PolarHBondContact O-N 3.34Å; S551-L553 PolarHBondContact O-N 3.18Å; S551-R591 VanDerWaalsContact OG-CG 3.23Å; S551-R591 WeakPolarHBondContact OG-CG 3.44Å
552	R	95.3	Very high	97.9	Very high	123 Å²	123	24.2 Å²	24.2	46%	0.464	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	23.5	-174.5	-49.6	-57.2	-160.8	120.3	-3.4	114.4	E548 L549 I550	E548-R552 PolarHBondContact O-N 2.7Å; E548-R552 VanDerWaalsContact O-N 3.16Å; L549-R552 PolarHBondContact O-N 3.46Å; I550-R552 PolarHBondContact O-N 3.16Å
553	L	96.5	Very high	98	Very high	94 Å²	94	23.5 Å²	23.5	49%	0.492	12%	0.121	S	C	.	.			trans	-73.8	162.2	174.4	-61.5	177.5	0	0	0	110.8	E548 S551 Y555	E548-L553 HydrophobicContact CB-CB 4.27Å; E548-L553 HydrophobicContact CB-CD1 4.27Å; E548-L553 PolarHBondContact O-N 3.49Å; S551-L553 PolarHBondContact O-N 3.18Å; L553-Y555 PolarHBondContact O-N 2.94Å; L553-Y555 VanDerWaalsContact O-N 3.15Å
554	P	96.9	Very high	98	Very high	64 Å²	64	22.2 Å²	22.2	42%	0.416	12%	0.116	S	C	.	.			trans	-70.1	105.7	174.6	-8.8	24.6	0	0	0	110.7	R534 R535	R534-P554 HydrophobicContact CB-CB 3.66Å; R534-P554 HydrophobicContact CG-CB 4.04Å; R534-P554 PolarHBondContact NH1-O 2.64Å; R534-P554 VanDerWaalsContact NH1-O 3.09Å; R535-P554 WeakPolarHBondContact O-CA 3.1Å
555	Y	97.4	Very high	98	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-107.7	155.3	-177.2	67.7	-101	0	0	0	112.2	R502 R534 R535 S537 L549 L553 V559	R502-Y555 WeakPolarHBondContact CD-OH 3.32Å; R502-Y555 HydrophobicContact CG-CE2 4.38Å; R502-Y555 PolarHBondContact NH1-OH 3.14Å; R534-Y555 CarbonylContact C-O 3.38Å; R534-Y555 WeakPolarHBondContact CA-O 3.48Å; R534-Y555 WeakPolarHBondContact CD-O 3.5Å; R535-Y555 HydrophobicContact CB-CD2 4.25Å; R535-Y555 HydrophobicContact CB-CE1 4.25Å; R535-Y555 HydrophobicContact CB-CE2 3.64Å; R535-Y555 HydrophobicContact CG-CE2 4.41Å; R535-Y555 PolarHBondContact N-O 2.96Å; R535-Y555 VanDerWaalsContact O-CD1 3.3Å; R535-Y555 WeakPolarHBondContact O-CD1 3.47Å; R535-Y555 PolarHBondContact O-N 3.39Å; S537-Y555 WeakPolarHBondContact O-CE1 3.35Å; S537-Y555 PolarHBondContact O-OH 2.97Å; S537-Y555 PolarHBondContact OG-OH 2.9Å; L549-Y555 HydrophobicContact CB-CD1 3.9Å; L549-Y555 HydrophobicContact CB-CE1 4.11Å; L549-Y555 HydrophobicContact CB-CG 4.33Å; L549-Y555 HydrophobicContact CD1-CD1 4.19Å; L549-Y555 HydrophobicContact CD1-CD2 4.28Å; L549-Y555 HydrophobicContact CD1-CE1 3.73Å; L549-Y555 HydrophobicContact CD1-CE2 3.85Å; L549-Y555 HydrophobicContact CD1-CG 4.45Å; L549-Y555 HydrophobicContact CG-CD1 4.07Å; L549-Y555 HydrophobicContact CG-CE1 3.73Å; L553-Y555 PolarHBondContact O-N 2.94Å; L553-Y555 VanDerWaalsContact O-N 3.15Å; Y555-V559 HydrophobicContact CD2-CB 4.5Å; Y555-V559 HydrophobicContact CD2-CG1 3.53Å; Y555-V559 HydrophobicContact CD2-CG2 4.13Å; Y555-V559 HydrophobicContact CE2-CG1 4.37Å; Y555-V559 HydrophobicContact CE2-CG2 4.39Å; Y555-V559 HydrophobicContact CG-CG1 3.72Å
556	G	97.5	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.			trans	-123.1	-149.6	175.7	0	0	0	0	0	111.5	I500 E558	I500-G556 VanDerWaalsContact CD1-C 3.47Å; G556-E558 WeakPolarHBondContact CA-OE2 3.42Å; G556-E558 PolarHBondContact N-OE2 2.97Å; G556-E558 PolarHBondContact O-N 2.84Å; G556-E558 VanDerWaalsContact O-N 3.13Å
557	P	98.2	Very high	98.1	Very high	35 Å²	35	21 Å²	21	23%	0.227	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.4	179.3	-23.4	34.1	0	0	0	115.6	H495 I500 V559 D560	H495-P557 HydrophobicContact CB-CB 4.06Å; H495-P557 PolarHBondContact CE1-O 3.08Å; I500-P557 HydrophobicContact CG1-CB 4.5Å; I500-P557 HydrophobicContact CG1-CG 4.15Å; P557-V559 PolarHBondContact O-N 2.89Å; P557-V559 VanDerWaalsContact O-N 3.08Å; P557-D560 PolarHBondContact O-N 3.13Å
558	E	98.7	Very high	98.1	Very high	33 Å²	33	20.8 Å²	20.8	15%	0.154	11%	0.109	C	C	.	.	H	α-helix	trans	-61.3	-23.5	-175.1	-45.8	97.1	132.7	0	0	112.8	R534 G556 D560 I561 W562 P620 R623	R534-E558 IonicContact CZ-OE1 2.7Å; R534-E558 VanDerWaalsContact CZ-OE1 3.28Å; R534-E558 IonicContact NH1-OE1 2.64Å; R534-E558 PolarHBondContact NH1-OE1 2.94Å; R534-E558 VanDerWaalsContact NH1-OE1 3.16Å; R534-E558 IonicContact NH1-OE2 2.73Å; R534-E558 IonicContact NH2-OE1 2.7Å; R534-E558 PolarHBondContact NH2-OE1 2.85Å; R534-E558 IonicContact NH2-OE2 3.63Å; G556-E558 WeakPolarHBondContact CA-OE2 3.42Å; G556-E558 PolarHBondContact N-OE2 2.97Å; G556-E558 PolarHBondContact O-N 2.84Å; G556-E558 VanDerWaalsContact O-N 3.13Å; E558-D560 VanDerWaalsContact C-N 3.32Å; E558-D560 PolarHBondContact O-N 2.8Å; E558-I561 PolarHBondContact O-N 3.36Å; E558-W562 PolarHBondContact O-N 3.38Å; E558-P620 HydrophobicContact CB-CB 4.02Å; E558-P620 HydrophobicContact CG-CB 4.11Å; E558-R623 VanDerWaalsContact C-NH1 3.3Å; E558-R623 WeakPolarHBondContact O-CD 3.49Å; E558-R623 PolarHBondContact O-NH1 2.75Å
559	V	98.8	Very high	98	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-63.3	-36	179.7	-57.4	0	0	0	0	112.6	I500 R502 A546 E548 L549 Y555 P557 I561 W562 S563	I500-V559 HydrophobicContact CG2-CG2 3.56Å; R502-V559 HydrophobicContact CG-CG2 4.27Å; A546-V559 HydrophobicContact CB-CB 3.92Å; A546-V559 HydrophobicContact CB-CG1 3.92Å; E548-V559 HydrophobicContact CG-CG1 4.38Å; E548-V559 WeakPolarHBondContact OE1-CG1 3.32Å; L549-V559 HydrophobicContact CB-CG1 4.18Å; L549-V559 HydrophobicContact CD1-CB 4.4Å; L549-V559 HydrophobicContact CD1-CG1 4.19Å; L549-V559 HydrophobicContact CD1-CG2 4.46Å; Y555-V559 HydrophobicContact CD2-CB 4.5Å; Y555-V559 HydrophobicContact CD2-CG1 3.53Å; Y555-V559 HydrophobicContact CD2-CG2 4.13Å; Y555-V559 HydrophobicContact CE2-CG1 4.37Å; Y555-V559 HydrophobicContact CE2-CG2 4.39Å; Y555-V559 HydrophobicContact CG-CG1 3.72Å; P557-V559 PolarHBondContact O-N 2.89Å; P557-V559 VanDerWaalsContact O-N 3.08Å; V559-I561 VanDerWaalsContact C-N 3.26Å; V559-I561 PolarHBondContact O-N 2.72Å; V559-W562 PolarHBondContact O-N 3.45Å; V559-S563 PolarHBondContact O-N 3.5Å; V559-S563 PolarHBondContact O-OG 2.98Å; V559-S563 VanDerWaalsContact O-OG 3.09Å
560	D	98.9	Very high	98	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68.4	-30.4	-178.8	-64.1	-26.5	0	0	0	111.3	L491 H495 H501 R502 I504 P557 E558 S563 L564	L491-D560 HydrophobicContact CD1-CB 4.25Å; L491-D560 HydrophobicContact CD2-CB 3.97Å; H495-D560 IonicContact CD2-OD2 3.59Å; H495-D560 IonicContact CE1-OD2 2.76Å; H495-D560 IonicContact NE2-OD2 2.72Å; H495-D560 PolarHBondContact NE2-OD2 2.99Å; H501-D560 PolarHBondContact N-OD1 3.04Å; H501-D560 PolarHBondContact N-OD2 3.26Å; R502-D560 WeakPolarHBondContact CA-OD1 3.39Å; R502-D560 PolarHBondContact N-OD1 3.4Å; I504-D560 HydrophobicContact CG1-CB 4.09Å; P557-D560 PolarHBondContact O-N 3.13Å; E558-D560 VanDerWaalsContact C-N 3.32Å; E558-D560 PolarHBondContact O-N 2.8Å; D560-S563 PolarHBondContact O-N 3.03Å; D560-L564 WeakPolarHBondContact O-CB 3.47Å; D560-L564 PolarHBondContact O-N 3.1Å
561	I	98.9	Very high	98	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-70.9	-39.7	177.1	-52.5	-55.3	0	0	0	111.2	L488 L491 E558 V559 L564 G565 M615 R623 A624 A626 L629	L488-I561 HydrophobicContact CD2-CD1 4.39Å; L491-I561 HydrophobicContact CD1-CD1 4.42Å; E558-I561 PolarHBondContact O-N 3.36Å; V559-I561 VanDerWaalsContact C-N 3.26Å; V559-I561 PolarHBondContact O-N 2.72Å; I561-L564 PolarHBondContact O-N 2.7Å; I561-G565 PolarHBondContact O-N 2.64Å; I561-M615 HydrophobicContact CG2-CB 4.08Å; I561-M615 HydrophobicContact CG2-CG 3.74Å; I561-R623 HydrophobicContact CB-CG 4.47Å; I561-R623 HydrophobicContact CG2-CG 4.18Å; I561-A624 WeakPolarHBondContact CG2-O 3.41Å; I561-A626 HydrophobicContact CD1-CB 3.98Å; I561-L629 HydrophobicContact CD1-CD1 4.29Å; I561-L629 HydrophobicContact CG2-CD1 3.45Å; I561-L629 VanDerWaalsContact CG2-CD1 3.45Å
562	W	98.9	Very high	98	Very high	1 Å²	1	17.8 Å²	17.8	0%	0.004	9%	0.09	C	C	.	.	H	α-helix	trans	-61.6	-47.4	171.7	174.6	-79.7	0	0	0	110.3	M545 A546 P547 E558 V559 L564 G565 I566 I590 P596 L616 R618	M545-W562 PolarHBondContact O-NE1 3.03Å; A546-W562 VanDerWaalsContact CA-CD1 3.46Å; A546-W562 HydrophobicContact CB-CB 3.86Å; A546-W562 HydrophobicContact CB-CG 3.84Å; P547-W562 HydrophobicContact CG-CE3 4.32Å; P547-W562 HydrophobicContact CG-CH2 4.23Å; P547-W562 HydrophobicContact CG-CZ2 4.49Å; P547-W562 HydrophobicContact CG-CZ3 4.14Å; E558-W562 PolarHBondContact O-N 3.38Å; V559-W562 PolarHBondContact O-N 3.45Å; W562-L564 VanDerWaalsContact C-N 3.33Å; W562-L564 PolarHBondContact O-N 3.09Å; W562-G565 CarbonylContact O-C 3.53Å; W562-G565 WeakPolarHBondContact O-CA 3.32Å; W562-G565 PolarHBondContact O-N 3.26Å; W562-I566 PolarHBondContact O-N 3.39Å; W562-I590 HydrophobicContact CZ2-CG2 3.88Å; W562-P596 HydrophobicContact CZ2-CG 4.49Å; W562-L616 HydrophobicContact CD2-CD2 3.93Å; W562-L616 HydrophobicContact CE3-CD2 4.1Å; W562-L616 HydrophobicContact CG-CD2 4.37Å; W562-L616 HydrophobicContact CH2-CD2 4.49Å; W562-L616 HydrophobicContact CZ2-CD2 4.32Å; W562-L616 HydrophobicContact CZ3-CB 4.34Å; W562-L616 HydrophobicContact CZ3-CD2 4.38Å; W562-R618 HydrophobicContact CZ3-CG 4.44Å
563	S	98.9	Very high	97.9	Very high	4 Å²	4	13.1 Å²	13.1	3%	0.028	7%	0.074	C	C	.	.	H	α-helix	trans	-62.1	-37.4	179	-58.9	0	0	0	0	112.6	I504 W544 V559 D560 I566 M567	I504-S563 WeakPolarHBondContact O-CB 3.26Å; W544-S563 WeakPolarHBondContact O-CB 3.2Å; W544-S563 PolarHBondContact O-OG 2.84Å; V559-S563 PolarHBondContact O-N 3.5Å; V559-S563 PolarHBondContact O-OG 2.98Å; V559-S563 VanDerWaalsContact O-OG 3.09Å; D560-S563 PolarHBondContact O-N 3.03Å; S563-I566 WeakPolarHBondContact O-CB 3.25Å; S563-I566 PolarHBondContact O-N 3.43Å; S563-M567 PolarHBondContact O-N 3.2Å
564	L	98.9	Very high	97.8	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.6	-40.5	169.3	179.4	62.1	0	0	0	112.1	V487 L488 L491 I504 D560 I561 W562 I566 M567 V568 M615	V487-L564 HydrophobicContact CB-CD1 4.36Å; V487-L564 HydrophobicContact CG1-CD1 4.01Å; L488-L564 HydrophobicContact CD1-CD2 4.38Å; L488-L564 HydrophobicContact CD2-CD2 3.57Å; L488-L564 HydrophobicContact CG-CD2 3.72Å; L491-L564 HydrophobicContact CD1-CD2 4.39Å; I504-L564 HydrophobicContact CG2-CB 4.2Å; D560-L564 WeakPolarHBondContact O-CB 3.47Å; D560-L564 PolarHBondContact O-N 3.1Å; I561-L564 PolarHBondContact O-N 2.7Å; W562-L564 VanDerWaalsContact C-N 3.33Å; W562-L564 PolarHBondContact O-N 3.09Å; L564-I566 VanDerWaalsContact C-N 3.3Å; L564-I566 PolarHBondContact O-N 2.99Å; L564-M567 HydrophobicContact CD1-CE 3.73Å; L564-M567 CarbonylContact O-C 3.6Å; L564-M567 WeakPolarHBondContact O-CB 3.47Å; L564-M567 PolarHBondContact O-N 3.32Å; L564-M567 VanDerWaalsContact O-N 3.14Å; L564-V568 WeakPolarHBondContact O-CG2 3.4Å; L564-V568 PolarHBondContact O-N 2.9Å; L564-M615 HydrophobicContact CB-SD 4.39Å; L564-M615 HydrophobicContact CD2-SD 3.92Å; L564-M615 HydrophobicContact CG-SD 3.9Å
565	G	98.8	Very high	97.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-58.8	-39.7	171.8	0	0	0	0	0	112.7	I561 W562 V568 I569 L612	I561-G565 PolarHBondContact O-N 2.64Å; W562-G565 CarbonylContact O-C 3.53Å; W562-G565 WeakPolarHBondContact O-CA 3.32Å; W562-G565 PolarHBondContact O-N 3.26Å; G565-V568 PolarHBondContact O-N 3.35Å; G565-I569 PolarHBondContact O-N 2.79Å; G565-L612 VanDerWaalsContact O-CD1 3.25Å; G565-L612 WeakPolarHBondContact O-CD1 3.36Å
566	I	98.8	Very high	97.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.9	-41	172.7	-59	-62	0	0	0	111.2	W544 W562 S563 L564 V568 I569 E570 P576 P577 P596 L616	W544-I566 HydrophobicContact CB-CG2 4.43Å; W544-I566 VanDerWaalsContact CD1-CG2 3.48Å; W544-I566 HydrophobicContact CD2-CG2 4.44Å; W544-I566 HydrophobicContact CG-CB 4.36Å; W544-I566 HydrophobicContact CG-CG2 3.87Å; W562-I566 PolarHBondContact O-N 3.39Å; S563-I566 WeakPolarHBondContact O-CB 3.25Å; S563-I566 PolarHBondContact O-N 3.43Å; L564-I566 VanDerWaalsContact C-N 3.3Å; L564-I566 PolarHBondContact O-N 2.99Å; I566-V568 VanDerWaalsContact C-N 3.27Å; I566-V568 PolarHBondContact O-N 3.25Å; I566-I569 WeakPolarHBondContact O-CA 3.34Å; I566-I569 WeakPolarHBondContact O-CB 3.01Å; I566-I569 PolarHBondContact O-N 3.5Å; I566-E570 PolarHBondContact O-N 3.46Å; I566-P576 HydrophobicContact CG2-CB 3.72Å; I566-P577 HydrophobicContact CD1-CG 3.96Å; I566-P596 HydrophobicContact CD1-CG 3.79Å; I566-L616 HydrophobicContact CD1-CD2 3.85Å; I566-L616 HydrophobicContact CG1-CD2 4.2Å
567	M	98.6	Very high	97.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64	-29.7	175.1	-163.8	-172.8	87.9	0	0	113.1	L466 V483 V487 I504 I509 S563 L564 I569 E570 M571	L466-M567 HydrophobicContact CD2-CE 4.13Å; L466-M567 HydrophobicContact CD2-SD 4.35Å; V483-M567 HydrophobicContact CG1-CE 3.72Å; V487-M567 HydrophobicContact CG2-CE 4.38Å; I504-M567 HydrophobicContact CG2-SD 4.33Å; I509-M567 HydrophobicContact CD1-SD 4.33Å; I509-M567 HydrophobicContact CG1-CE 4.03Å; I509-M567 HydrophobicContact CG1-SD 3.52Å; I509-M567 VanDerWaalsContact CG1-SD 3.52Å; S563-M567 PolarHBondContact O-N 3.2Å; L564-M567 HydrophobicContact CD1-CE 3.73Å; L564-M567 CarbonylContact O-C 3.6Å; L564-M567 WeakPolarHBondContact O-CB 3.47Å; L564-M567 PolarHBondContact O-N 3.32Å; L564-M567 VanDerWaalsContact O-N 3.14Å; M567-I569 VanDerWaalsContact C-N 3.34Å; M567-E570 WeakPolarHBondContact CA-OE1 3.33Å; M567-E570 WeakPolarHBondContact CG-OE1 3.42Å; M567-E570 WeakPolarHBondContact O-CB 3.3Å; M567-E570 PolarHBondContact O-N 3.2Å; M567-M571 HydrophobicContact CE-CE 3.8Å; M567-M571 PolarHBondContact O-N 3.24Å; M567-M571 VanDerWaalsContact O-N 3.07Å
568	V	98.5	Very high	97.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-69.7	-30.2	170.4	169.7	0	0	0	0	112.1	C484 L564 G565 I566 M571 V572 L608 L612 M615	C484-V568 WeakPolarHBondContact SG-CG2 3.29Å; L564-V568 WeakPolarHBondContact O-CG2 3.4Å; L564-V568 PolarHBondContact O-N 2.9Å; G565-V568 PolarHBondContact O-N 3.35Å; I566-V568 VanDerWaalsContact C-N 3.27Å; I566-V568 PolarHBondContact O-N 3.25Å; V568-M571 HydrophobicContact CB-CE 4.46Å; V568-M571 HydrophobicContact CG2-CE 3.8Å; V568-V572 WeakPolarHBondContact O-CG2 3.16Å; V568-V572 PolarHBondContact O-N 3.05Å; V568-L608 HydrophobicContact CG1-CD1 3.82Å; V568-L612 HydrophobicContact CB-CD1 4.11Å; V568-L612 HydrophobicContact CG1-CD1 4Å; V568-M615 HydrophobicContact CB-CE 4.49Å; V568-M615 HydrophobicContact CG2-CE 4.02Å
569	I	97.9	Very high	97.6	Very high	3 Å²	3	14.4 Å²	14.4	2%	0.015	8%	0.075	C	C	.	.	H	α-helix	trans	-65.8	-44.4	168.1	-62.9	180	0	0	0	110.1	G565 I566 M567 M571 V572 D573 P577 P596 L598 L612 L616	G565-I569 PolarHBondContact O-N 2.79Å; I566-I569 WeakPolarHBondContact O-CA 3.34Å; I566-I569 WeakPolarHBondContact O-CB 3.01Å; I566-I569 PolarHBondContact O-N 3.5Å; M567-I569 VanDerWaalsContact C-N 3.34Å; I569-M571 PolarHBondContact O-N 3.15Å; I569-V572 PolarHBondContact O-N 2.73Å; I569-V572 VanDerWaalsContact O-N 3.13Å; I569-D573 HydrophobicContact CG2-CB 4.25Å; I569-D573 WeakPolarHBondContact O-CB 3.45Å; I569-D573 PolarHBondContact O-N 3.17Å; I569-P577 HydrophobicContact CD1-CG 3.62Å; I569-P577 HydrophobicContact CG2-CG 4.19Å; I569-P596 HydrophobicContact CD1-CB 4.21Å; I569-P596 HydrophobicContact CD1-CG 4.19Å; I569-L598 HydrophobicContact CB-CD2 4.18Å; I569-L598 HydrophobicContact CG1-CD2 3.87Å; I569-L598 HydrophobicContact CG2-CD2 4.23Å; I569-L612 HydrophobicContact CG1-CD2 4.16Å; I569-L616 HydrophobicContact CD1-CD1 3.72Å; I569-L616 HydrophobicContact CG1-CD1 4.39Å
570	E	96.9	Very high	97.5	Very high	7 Å²	7	20.7 Å²	20.7	3%	0.033	11%	0.108	C	C	.	.	H	α-helix	trans	-55.1	-48	176.2	-59	-177.9	-99.9	0	0	112.5	V470 S506 W544 I566 M567 V572 G574 P576	V470-E570 HydrophobicContact CG2-CB 4.4Å; S506-E570 VanDerWaalsContact CB-OE2 3.25Å; S506-E570 WeakPolarHBondContact CB-OE2 3.33Å; S506-E570 PolarHBondContact N-OE1 2.91Å; S506-E570 VanDerWaalsContact N-OE1 3.09Å; S506-E570 PolarHBondContact OG-OE2 3Å; W544-E570 HydrophobicContact CZ2-CG 4.45Å; W544-E570 WeakPolarHBondContact CZ2-OE2 3.46Å; W544-E570 PolarHBondContact NE1-OE1 2.97Å; I566-E570 PolarHBondContact O-N 3.46Å; M567-E570 WeakPolarHBondContact CA-OE1 3.33Å; M567-E570 WeakPolarHBondContact CG-OE1 3.42Å; M567-E570 WeakPolarHBondContact O-CB 3.3Å; M567-E570 PolarHBondContact O-N 3.2Å; E570-V572 PolarHBondContact O-N 2.71Å; E570-V572 VanDerWaalsContact O-N 3.15Å; E570-G574 VanDerWaalsContact O-CA 3.22Å; E570-G574 WeakPolarHBondContact O-CA 3.49Å; E570-G574 PolarHBondContact O-N 3.35Å; E570-P576 HydrophobicContact CG-CB 4.25Å
571	M	97.5	Very high	97.4	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.015	12%	0.118	C	C	.	.	H	α-helix	trans	-65.7	-17.4	-178.3	-67.5	-175.7	-79.1	0	0	114.3	L466 V470 M475 I480 V483 M567 V568 I569	L466-M571 HydrophobicContact CD2-CG 4.27Å; L466-M571 HydrophobicContact CD2-SD 4Å; V470-M571 HydrophobicContact CG1-CB 4.27Å; V470-M571 HydrophobicContact CG1-CG 3.75Å; M475-M571 HydrophobicContact CE-SD 3.93Å; M475-M571 HydrophobicContact SD-CB 4.01Å; M475-M571 HydrophobicContact SD-CG 3.71Å; M475-M571 HydrophobicContact SD-SD 3.9Å; I480-M571 HydrophobicContact CD1-CB 4.25Å; I480-M571 HydrophobicContact CG1-CB 3.94Å; I480-M571 HydrophobicContact CG1-SD 4.32Å; I480-M571 HydrophobicContact CG2-CE 4.14Å; V483-M571 HydrophobicContact CB-SD 4.04Å; V483-M571 HydrophobicContact CG1-CE 4.19Å; V483-M571 HydrophobicContact CG1-SD 3.84Å; V483-M571 HydrophobicContact CG2-SD 4.47Å; M567-M571 HydrophobicContact CE-CE 3.8Å; M567-M571 PolarHBondContact O-N 3.24Å; M567-M571 VanDerWaalsContact O-N 3.07Å; V568-M571 HydrophobicContact CB-CE 4.46Å; V568-M571 HydrophobicContact CG2-CE 3.8Å; I569-M571 PolarHBondContact O-N 3.15Å
572	V	96.2	Very high	97.4	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.03	14%	0.139	C	C	.	.	H	α-helix	trans	-102.6	-41.8	-179.5	175	0	0	0	0	112.8	I480 V568 I569 E570 L598 N600 V604 L608	I480-V572 HydrophobicContact CD1-CG2 3.81Å; V568-V572 WeakPolarHBondContact O-CG2 3.16Å; V568-V572 PolarHBondContact O-N 3.05Å; I569-V572 PolarHBondContact O-N 2.73Å; I569-V572 VanDerWaalsContact O-N 3.13Å; E570-V572 PolarHBondContact O-N 2.71Å; E570-V572 VanDerWaalsContact O-N 3.15Å; V572-L598 HydrophobicContact CB-CD2 3.76Å; V572-L598 HydrophobicContact CG1-CD1 4.38Å; V572-L598 HydrophobicContact CG1-CD2 3.76Å; V572-L598 HydrophobicContact CG2-CD2 4.3Å; V572-N600 HydrophobicContact CG1-CB 4.44Å; V572-V604 HydrophobicContact CG1-CG1 3.61Å; V572-V604 HydrophobicContact CG2-CG1 4.04Å; V572-L608 HydrophobicContact CG2-CD2 4.1Å
573	D	94.7	Very high	97.3	Very high	24 Å²	24	28.5 Å²	28.5	13%	0.128	16%	0.155	C	C	.	.	H	α-helix	trans	-106.5	-12	-172.6	-73.2	-28.9	0	0	0	114	I569 L598 K599 N600	I569-D573 HydrophobicContact CG2-CB 4.25Å; I569-D573 WeakPolarHBondContact O-CB 3.45Å; I569-D573 PolarHBondContact O-N 3.17Å; D573-L598 WeakPolarHBondContact OD2-CA 3.49Å; D573-K599 PolarHBondContact OD2-N 2.64Å; D573-N600 VanDerWaalsContact OD1-CB 3.25Å; D573-N600 WeakPolarHBondContact OD1-CB 3.49Å; D573-N600 PolarHBondContact OD1-N 3.48Å; D573-N600 PolarHBondContact OD1-ND2 3.31Å
574	G	94.8	Very high	97.1	Very high	28 Å²	28	34.3 Å²	34.3	29%	0.289	19%	0.185	S	C	.	.	S	Bend	trans	88	-10.4	177.2	0	0	0	0	0	116	E570	E570-G574 VanDerWaalsContact O-CA 3.22Å; E570-G574 WeakPolarHBondContact O-CA 3.49Å; E570-G574 PolarHBondContact O-N 3.35Å
575	E	95.9	Very high	97.1	Very high	56 Å²	56	39 Å²	39	26%	0.262	21%	0.206	S	C	.	.	S	Bend	trans	-152.8	156.7	178.2	57.8	166.7	-144.4	0	0	110.8	F579 K599	E575-F579 HydrophobicContact CB-CB 4.17Å; E575-F579 HydrophobicContact CB-CD1 4Å; E575-F579 HydrophobicContact CB-CG 4.25Å; E575-F579 HydrophobicContact CG-CB 4.46Å; E575-K599 IonicContact OE1-NZ 2.6Å; E575-K599 PolarHBondContact OE1-NZ 3.09Å
576	P	97.4	Very high	97	Very high	4 Å²	4	39 Å²	39	3%	0.026	21%	0.206	C	C	.	.			trans	-72.1	165.2	175.7	32.1	-37.9	0	0	0	112	Y543 W544 I566 E570 Y578 F579	Y543-P576 HydrophobicContact CG-CG 4.44Å; W544-P576 HydrophobicContact CH2-CG 3.78Å; W544-P576 HydrophobicContact CZ2-CB 4.1Å; W544-P576 HydrophobicContact CZ2-CG 3.74Å; W544-P576 HydrophobicContact CZ3-CG 4.31Å; I566-P576 HydrophobicContact CG2-CB 3.72Å; E570-P576 HydrophobicContact CG-CB 4.25Å; P576-Y578 PolarHBondContact O-N 3.15Å; P576-F579 HydrophobicContact CG-CB 4.07Å; P576-F579 HydrophobicContact CG-CD2 3.66Å; P576-F579 HydrophobicContact CG-CE2 4.39Å; P576-F579 HydrophobicContact CG-CG 4.1Å; P576-F579 WeakPolarHBondContact O-CB 2.94Å; P576-F579 PolarHBondContact O-N 2.84Å
577	P	97.6	Very high	97	Very high	11 Å²	11	39.7 Å²	39.7	7%	0.071	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	138	174.3	-25.6	36.8	0	0	0	112.8	I566 I569 F579 P596	I566-P577 HydrophobicContact CD1-CG 3.96Å; I569-P577 HydrophobicContact CD1-CG 3.62Å; I569-P577 HydrophobicContact CG2-CG 4.19Å; P577-F579 PolarHBondContact O-N 2.78Å; P577-P596 HydrophobicContact CB-CB 3.6Å; P577-P596 HydrophobicContact CB-CG 4.18Å; P577-P596 HydrophobicContact CG-CB 3.44Å; P577-P596 VanDerWaalsContact CG-CB 3.44Å; P577-P596 HydrophobicContact CG-CG 3.73Å
578	Y	97.3	Very high	97	Very high	52 Å²	52	45.4 Å²	45.4	20%	0.204	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	22	177.5	-38	-57.6	0	0	0	114.8	Y543 P576 N580 E581 M589 I590	Y543-Y578 VanDerWaalsContact CE1-O 3.25Å; Y543-Y578 WeakPolarHBondContact CE1-O 3.43Å; P576-Y578 PolarHBondContact O-N 3.15Å; Y578-N580 PolarHBondContact O-N 2.82Å; Y578-N580 VanDerWaalsContact O-N 3.14Å; Y578-E581 VanDerWaalsContact O-CB 3.29Å; Y578-E581 WeakPolarHBondContact O-CB 3.45Å; Y578-E581 PolarHBondContact O-N 2.84Å; Y578-M589 HydrophobicContact CD1-CE 3.52Å; Y578-M589 HydrophobicContact CD1-SD 4.42Å; Y578-M589 HydrophobicContact CD2-CB 4.05Å; Y578-M589 HydrophobicContact CE1-CE 3.58Å; Y578-M589 HydrophobicContact CE2-CB 3.89Å; Y578-M589 HydrophobicContact CG-CB 4.46Å; Y578-M589 HydrophobicContact CG-CE 4.16Å; Y578-I590 HydrophobicContact CD2-CG1 4Å; Y578-I590 HydrophobicContact CE2-CG1 3.96Å
579	F	96.1	Very high	96.9	Very high	103 Å²	103	47.4 Å²	47.4	45%	0.452	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.7	-177.7	-167.7	-123.7	0	0	0	114.1	Y543 E575 P576 P577 E581	Y543-F579 HydrophobicContact CD2-CD2 4.34Å; Y543-F579 HydrophobicContact CE2-CD2 4.35Å; Y543-F579 HydrophobicContact CG-CD2 4.49Å; E575-F579 HydrophobicContact CB-CB 4.17Å; E575-F579 HydrophobicContact CB-CD1 4Å; E575-F579 HydrophobicContact CB-CG 4.25Å; E575-F579 HydrophobicContact CG-CB 4.46Å; P576-F579 HydrophobicContact CG-CB 4.07Å; P576-F579 HydrophobicContact CG-CD2 3.66Å; P576-F579 HydrophobicContact CG-CE2 4.39Å; P576-F579 HydrophobicContact CG-CG 4.1Å; P576-F579 WeakPolarHBondContact O-CB 2.94Å; P576-F579 PolarHBondContact O-N 2.84Å; P577-F579 PolarHBondContact O-N 2.78Å; F579-E581 PolarHBondContact O-N 3.36Å
580	N	95.9	Very high	97	Very high	133 Å²	133	47.4 Å²	47.4	71%	0.711	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-7.6	173.9	68.2	-37.3	0	0	0	114.7	Y578	Y578-N580 PolarHBondContact O-N 2.82Å; Y578-N580 VanDerWaalsContact O-N 3.14Å
581	E	97.8	Very high	97	Very high	44 Å²	44	51.5 Å²	51.5	21%	0.206	26%	0.259	C	S	.	.	S	Bend	trans	-96.6	148.4	179.9	-64.7	-74.2	-162.6	0	0	112	Y543 Y578 F579 K585 A586 M589	Y543-E581 WeakPolarHBondContact CE1-O 3.29Å; Y543-E581 PolarHBondContact OH-O 3.22Å; Y578-E581 VanDerWaalsContact O-CB 3.29Å; Y578-E581 WeakPolarHBondContact O-CB 3.45Å; Y578-E581 PolarHBondContact O-N 2.84Å; F579-E581 PolarHBondContact O-N 3.36Å; E581-K585 VanDerWaalsContact OE1-CE 3.24Å; E581-K585 WeakPolarHBondContact OE1-CE 3.43Å; E581-K585 IonicContact OE1-NZ 3.16Å; E581-K585 PolarHBondContact OE1-NZ 3.2Å; E581-K585 VanDerWaalsContact OE2-CD 3.27Å; E581-K585 WeakPolarHBondContact OE2-CD 3.13Å; E581-K585 WeakPolarHBondContact OE2-CE 3.43Å; E581-K585 IonicContact OE2-NZ 2.67Å; E581-K585 PolarHBondContact OE2-NZ 2.79Å; E581-A586 HydrophobicContact CB-CB 4.43Å; E581-M589 HydrophobicContact CG-SD 4.24Å
582	P	97.6	Very high	96.9	Very high	70 Å²	70	55 Å²	55	46%	0.455	28%	0.277	S	S	.	.			trans	-57.3	140.2	173.8	-24.9	34.4	0	0	0	111.9	L584 K585 A586	P582-L584 VanDerWaalsContact C-N 3.28Å; P582-L584 PolarHBondContact O-N 2.86Å; P582-K585 WeakPolarHBondContact O-CA 3.4Å; P582-K585 WeakPolarHBondContact O-CB 3.33Å; P582-K585 PolarHBondContact O-N 3.22Å; P582-A586 PolarHBondContact O-N 2.94Å
583	P	96.4	Very high	97	Very high	51 Å²	51	57.9 Å²	57.9	33%	0.331	29%	0.293	S	S	.	.	H	α-helix	trans	-52.8	-36.7	-171	-31	33.7	0	0	0	116	P542 Y543 M587	P542-P583 HydrophobicContact CB-CB 3.82Å; P542-P583 HydrophobicContact CG-CB 3.95Å; Y543-P583 HydrophobicContact CE2-CG 4.24Å; Y543-P583 WeakPolarHBondContact OH-CD 3.25Å; Y543-P583 WeakPolarHBondContact OH-CG 3.45Å; P583-M587 WeakPolarHBondContact O-CB 3.41Å; P583-M587 WeakPolarHBondContact O-CE 3.31Å; P583-M587 PolarHBondContact O-N 2.8Å
584	L	96.3	Very high	97.1	Very high	126 Å²	126	64 Å²	64	66%	0.66	32%	0.321	S	S	*	.	H	α-helix	trans	-68	-32.7	176.3	-62.4	179.3	0	0	0	112.9	P582 M587 K588	P582-L584 VanDerWaalsContact C-N 3.28Å; P582-L584 PolarHBondContact O-N 2.86Å; L584-M587 HydrophobicContact CD2-CE 3.75Å; L584-K588 PolarHBondContact O-N 3.03Å
585	K	97.8	Very high	97.1	Very high	99 Å²	99	64.6 Å²	64.6	43%	0.43	32%	0.319	S	S	.	.	H	α-helix	trans	-77.3	-42.5	175.6	-179.2	175.4	163.9	-159.6	0	110.5	E581 P582 M587 K588 M589	E581-K585 VanDerWaalsContact OE1-CE 3.24Å; E581-K585 WeakPolarHBondContact OE1-CE 3.43Å; E581-K585 IonicContact OE1-NZ 3.16Å; E581-K585 PolarHBondContact OE1-NZ 3.2Å; E581-K585 VanDerWaalsContact OE2-CD 3.27Å; E581-K585 WeakPolarHBondContact OE2-CD 3.13Å; E581-K585 WeakPolarHBondContact OE2-CE 3.43Å; E581-K585 IonicContact OE2-NZ 2.67Å; E581-K585 PolarHBondContact OE2-NZ 2.79Å; P582-K585 WeakPolarHBondContact O-CA 3.4Å; P582-K585 WeakPolarHBondContact O-CB 3.33Å; P582-K585 PolarHBondContact O-N 3.22Å; K585-M587 PolarHBondContact O-N 3.25Å; K585-K588 WeakPolarHBondContact O-CB 3.39Å; K585-K588 PolarHBondContact O-N 3.29Å; K585-K588 VanDerWaalsContact O-N 3.16Å; K585-M589 HydrophobicContact CD-SD 4.5Å; K585-M589 HydrophobicContact CG-CG 4.49Å; K585-M589 HydrophobicContact CG-SD 3.91Å; K585-M589 WeakPolarHBondContact O-CG 3.27Å; K585-M589 PolarHBondContact O-N 3.33Å
586	A	98.1	Very high	97.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-57.2	-49.1	173.4	0	0	0	0	0	111.8	Y543 E581 P582 K588 M589 I590	Y543-A586 HydrophobicContact CD1-CB 3.54Å; Y543-A586 HydrophobicContact CE1-CB 3.43Å; Y543-A586 VanDerWaalsContact CE1-CB 3.43Å; E581-A586 HydrophobicContact CB-CB 4.43Å; P582-A586 PolarHBondContact O-N 2.94Å; A586-K588 VanDerWaalsContact C-N 3.34Å; A586-K588 PolarHBondContact O-N 3.02Å; A586-M589 PolarHBondContact O-N 3.43Å; A586-M589 VanDerWaalsContact O-N 3.11Å; A586-I590 WeakPolarHBondContact O-CG1 3.41Å; A586-I590 PolarHBondContact O-N 3.27Å
587	M	97.9	Very high	96.9	Very high	14 Å²	14	70.5 Å²	70.5	7%	0.069	35%	0.345	C	S	.	.	H	α-helix	trans	-58.9	-41.7	173.5	-79.6	-175.3	-68	0	0	112.8	P542 M545 I550 P583 L584 K585 M589 I590 R591	P542-M587 HydrophobicContact CB-CE 4.1Å; P542-M587 HydrophobicContact CB-CG 3.9Å; P542-M587 HydrophobicContact CB-SD 4Å; P542-M587 HydrophobicContact CG-CE 4.25Å; P542-M587 HydrophobicContact CG-SD 4.37Å; P542-M587 WeakPolarHBondContact O-CG 3.4Å; M545-M587 HydrophobicContact CE-SD 4.17Å; M545-M587 HydrophobicContact SD-CG 4.27Å; M545-M587 HydrophobicContact SD-SD 3.5Å; I550-M587 HydrophobicContact CD1-CB 4.17Å; I550-M587 HydrophobicContact CD1-CG 4.09Å; I550-M587 HydrophobicContact CG1-CB 4.39Å; I550-M587 HydrophobicContact CG1-CG 4.17Å; I550-M587 HydrophobicContact CG2-CB 3.97Å; P583-M587 WeakPolarHBondContact O-CB 3.41Å; P583-M587 WeakPolarHBondContact O-CE 3.31Å; P583-M587 PolarHBondContact O-N 2.8Å; L584-M587 HydrophobicContact CD2-CE 3.75Å; K585-M587 PolarHBondContact O-N 3.25Å; M587-M589 VanDerWaalsContact C-N 3.32Å; M587-M589 PolarHBondContact O-N 2.6Å; M587-I590 PolarHBondContact O-N 2.98Å; M587-R591 WeakPolarHBondContact O-CB 3.2Å; M587-R591 PolarHBondContact O-N 3.03Å
588	K	97.6	Very high	96.7	Very high	120 Å²	120	70.5 Å²	70.5	52%	0.522	35%	0.345	S	S	.	.	H	α-helix	trans	-60.1	-44	174.4	-173.7	-176	175	-171.4	0	111.1	L584 K585 A586 R591 D592	L584-K588 PolarHBondContact O-N 3.03Å; K585-K588 WeakPolarHBondContact O-CB 3.39Å; K585-K588 PolarHBondContact O-N 3.29Å; K585-K588 VanDerWaalsContact O-N 3.16Å; A586-K588 VanDerWaalsContact C-N 3.34Å; A586-K588 PolarHBondContact O-N 3.02Å; K588-R591 PolarHBondContact O-N 3.21Å; K588-D592 WeakPolarHBondContact CE-OD2 3.39Å; K588-D592 WeakPolarHBondContact CG-OD2 3.2Å; K588-D592 VanDerWaalsContact O-CB 3.29Å; K588-D592 WeakPolarHBondContact O-CB 3.41Å; K588-D592 VanDerWaalsContact O-CG 3.28Å; K588-D592 PolarHBondContact O-N 3.36Å
589	M	98.2	Very high	96.4	Very high	42 Å²	42	74 Å²	74	21%	0.207	36%	0.361	C	S	.	.	H	α-helix	trans	-65.4	-43.7	179.5	-70.7	170.3	72.6	0	0	112.1	Y578 E581 K585 A586 M587 R591 D592 N593	Y578-M589 HydrophobicContact CD1-CE 3.52Å; Y578-M589 HydrophobicContact CD1-SD 4.42Å; Y578-M589 HydrophobicContact CD2-CB 4.05Å; Y578-M589 HydrophobicContact CE1-CE 3.58Å; Y578-M589 HydrophobicContact CE2-CB 3.89Å; Y578-M589 HydrophobicContact CG-CB 4.46Å; Y578-M589 HydrophobicContact CG-CE 4.16Å; E581-M589 HydrophobicContact CG-SD 4.24Å; K585-M589 HydrophobicContact CD-SD 4.5Å; K585-M589 HydrophobicContact CG-CG 4.49Å; K585-M589 HydrophobicContact CG-SD 3.91Å; K585-M589 WeakPolarHBondContact O-CG 3.27Å; K585-M589 PolarHBondContact O-N 3.33Å; A586-M589 PolarHBondContact O-N 3.43Å; A586-M589 VanDerWaalsContact O-N 3.11Å; M587-M589 VanDerWaalsContact C-N 3.32Å; M587-M589 PolarHBondContact O-N 2.6Å; M589-R591 VanDerWaalsContact C-N 3.31Å; M589-R591 PolarHBondContact O-N 2.9Å; M589-D592 PolarHBondContact O-N 2.95Å; M589-N593 WeakPolarHBondContact O-CB 3.24Å; M589-N593 PolarHBondContact O-N 3.36Å; M589-N593 PolarHBondContact O-ND2 3.4Å
590	I	98.3	Very high	95.9	Very high	4 Å²	4	70.9 Å²	70.9	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-59.8	-42.8	173.4	-65.6	162.8	0	0	0	110.9	Y543 I550 W562 Y578 A586 M587 R618	Y543-I590 WeakPolarHBondContact O-CD1 3.49Å; I550-I590 HydrophobicContact CD1-CB 3.82Å; I550-I590 HydrophobicContact CD1-CD1 4.45Å; I550-I590 HydrophobicContact CD1-CG2 3.6Å; W562-I590 HydrophobicContact CZ2-CG2 3.88Å; Y578-I590 HydrophobicContact CD2-CG1 4Å; Y578-I590 HydrophobicContact CE2-CG1 3.96Å; A586-I590 WeakPolarHBondContact O-CG1 3.41Å; A586-I590 PolarHBondContact O-N 3.27Å; M587-I590 PolarHBondContact O-N 2.98Å; I590-R618 PolarHBondContact O-NH1 3.33Å
591	R	97.4	Very high	95.6	Very high	92 Å²	92	68.1 Å²	68.1	35%	0.347	33%	0.333	S	S	.	.	H	α-helix	trans	-67.7	-44.1	179.7	-164.7	-165	62.9	-165.1	-5.8	112.6	I550 S551 M587 K588 M589 R618	I550-R591 HydrophobicContact CB-CB 4.42Å; I550-R591 HydrophobicContact CG2-CB 3.93Å; I550-R591 HydrophobicContact CG2-CG 4.23Å; S551-R591 VanDerWaalsContact OG-CG 3.23Å; S551-R591 WeakPolarHBondContact OG-CG 3.44Å; M587-R591 WeakPolarHBondContact O-CB 3.2Å; M587-R591 PolarHBondContact O-N 3.03Å; K588-R591 PolarHBondContact O-N 3.21Å; M589-R591 VanDerWaalsContact C-N 3.31Å; M589-R591 PolarHBondContact O-N 2.9Å; R591-R618 VanDerWaalsContact O-CZ 3.31Å; R591-R618 PolarHBondContact O-NH1 3.49Å; R591-R618 PolarHBondContact O-NH2 2.88Å
592	D	96.4	Very high	95.3	Very high	76 Å²	76	73.2 Å²	73.2	41%	0.406	36%	0.357	S	S	.	.	H	α-helix	trans	-95.2	-22.8	-167.3	-62.6	-9.4	0	0	0	113.8	K588 M589	K588-D592 WeakPolarHBondContact CE-OD2 3.39Å; K588-D592 WeakPolarHBondContact CG-OD2 3.2Å; K588-D592 VanDerWaalsContact O-CB 3.29Å; K588-D592 WeakPolarHBondContact O-CB 3.41Å; K588-D592 VanDerWaalsContact O-CG 3.28Å; K588-D592 PolarHBondContact O-N 3.36Å; M589-D592 PolarHBondContact O-N 2.95Å
593	N	96.9	Very high	94.9	Very high	67 Å²	67	74.7 Å²	74.7	36%	0.358	36%	0.356	S	S	.	.	S	Bend	trans	-94.9	171	-175.7	-59.3	-20	0	0	0	113.8	M589 R618	M589-N593 WeakPolarHBondContact O-CB 3.24Å; M589-N593 PolarHBondContact O-N 3.36Å; M589-N593 PolarHBondContact O-ND2 3.4Å; N593-R618 PolarHBondContact O-NH1 3.37Å
594	Q	96.6	Very high	94.8	Very high	153 Å²	153	73.2 Å²	73.2	72%	0.715	35%	0.346	S	S	*	.	S	Bend	trans	-61.9	159.7	163.3	-68.2	-61.4	-20	0	0	111.9
595	P	96.7	Very high	94.8	Very high	39 Å²	39	68.4 Å²	68.4	25%	0.253	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-47.8	139.8	177	-30.4	35.6	0	0	0	113.7	L616 R618	P595-L616 HydrophobicContact CB-CB 4.34Å; P595-L616 WeakPolarHBondContact CB-O 3.45Å; P595-L616 WeakPolarHBondContact CG-O 3.47Å; P595-R618 HydrophobicContact CG-CG 3.96Å
596	P	95.8	Very high	94.8	Very high	13 Å²	13	69.1 Å²	69.1	8%	0.084	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-64.6	146.6	174.8	27.6	-31.7	0	0	0	110.3	W562 I566 I569 P577 L616	W562-P596 HydrophobicContact CZ2-CG 4.49Å; I566-P596 HydrophobicContact CD1-CG 3.79Å; I569-P596 HydrophobicContact CD1-CB 4.21Å; I569-P596 HydrophobicContact CD1-CG 4.19Å; P577-P596 HydrophobicContact CB-CB 3.6Å; P577-P596 HydrophobicContact CB-CG 4.18Å; P577-P596 HydrophobicContact CG-CB 3.44Å; P577-P596 VanDerWaalsContact CG-CB 3.44Å; P577-P596 HydrophobicContact CG-CG 3.73Å; P596-L616 HydrophobicContact CG-CD1 4.22Å
597	K	93	Very high	94.8	Very high	172 Å²	172	71.7 Å²	71.7	75%	0.748	35%	0.352	S	S	*	.			trans	-116.6	150.5	178.9	-62.1	-178.3	-178.5	179.1	0	109.5	K599	K597-K599 PolarHBondContact O-N 2.95Å
598	L	93.3	Very high	94.8	Very high	11 Å²	11	71 Å²	71	6%	0.058	35%	0.348	C	S	.	.			trans	-55.9	132.4	171.1	-69.3	168.8	0	0	0	110.9	I569 V572 D573 L601 V604 L612	I569-L598 HydrophobicContact CB-CD2 4.18Å; I569-L598 HydrophobicContact CG1-CD2 3.87Å; I569-L598 HydrophobicContact CG2-CD2 4.23Å; V572-L598 HydrophobicContact CB-CD2 3.76Å; V572-L598 HydrophobicContact CG1-CD1 4.38Å; V572-L598 HydrophobicContact CG1-CD2 3.76Å; V572-L598 HydrophobicContact CG2-CD2 4.3Å; D573-L598 WeakPolarHBondContact OD2-CA 3.49Å; L598-L601 HydrophobicContact CB-CB 4.26Å; L598-L601 HydrophobicContact CB-CD1 4.42Å; L598-L601 HydrophobicContact CD1-CD1 4.35Å; L598-V604 HydrophobicContact CD1-CB 4.45Å; L598-V604 HydrophobicContact CD1-CG1 4.01Å; L598-V604 HydrophobicContact CD1-CG2 3.7Å; L598-L612 HydrophobicContact CD1-CD2 3.78Å; L598-L612 HydrophobicContact CD2-CD2 4.16Å; L598-L612 HydrophobicContact CG-CD2 3.69Å
599	K	90.9	Very high	94.9	Very high	125 Å²	125	69.1 Å²	69.1	54%	0.543	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-44.5	170.4	-55.5	175.1	-173	172.2	0	109.6	D573 E575 K597 L601	D573-K599 PolarHBondContact OD2-N 2.64Å; E575-K599 IonicContact OE1-NZ 2.6Å; E575-K599 PolarHBondContact OE1-NZ 3.09Å; K597-K599 PolarHBondContact O-N 2.95Å; K599-L601 VanDerWaalsContact C-N 3.28Å; K599-L601 PolarHBondContact O-N 2.94Å
600	N	85.6	Confident	94.9	Very high	37 Å²	37	68.2 Å²	68.2	20%	0.198	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	39.7	178.5	-66.7	-90.4	0	0	0	112.7	V572 D573 H602 K603	V572-N600 HydrophobicContact CG1-CB 4.44Å; D573-N600 VanDerWaalsContact OD1-CB 3.25Å; D573-N600 WeakPolarHBondContact OD1-CB 3.49Å; D573-N600 PolarHBondContact OD1-N 3.48Å; D573-N600 PolarHBondContact OD1-ND2 3.31Å; N600-H602 PolarHBondContact O-N 2.92Å; N600-K603 HydrophobicContact CB-CB 4.28Å; N600-K603 HydrophobicContact CB-CD 4.01Å; N600-K603 HydrophobicContact CB-CG 4.14Å; N600-K603 WeakPolarHBondContact O-CB 3.47Å; N600-K603 PolarHBondContact O-N 2.84Å; N600-K603 WeakPolarHBondContact OD1-CD 3.36Å; N600-K603 VanDerWaalsContact OD1-CE 3.24Å; N600-K603 WeakPolarHBondContact OD1-CE 3.46Å; N600-K603 PolarHBondContact OD1-NZ 2.66Å
601	L	90	Very high	94.9	Very high	75 Å²	75	68 Å²	68	39%	0.393	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-55.3	-28.5	-177	-175.9	65.5	0	0	0	113.9	L598 K599 K603 V604 K609	L598-L601 HydrophobicContact CB-CB 4.26Å; L598-L601 HydrophobicContact CB-CD1 4.42Å; L598-L601 HydrophobicContact CD1-CD1 4.35Å; K599-L601 VanDerWaalsContact C-N 3.28Å; K599-L601 PolarHBondContact O-N 2.94Å; L601-K603 PolarHBondContact O-N 2.91Å; L601-V604 HydrophobicContact CD1-CG2 4.13Å; L601-V604 WeakPolarHBondContact O-CG2 3.12Å; L601-K609 HydrophobicContact CD1-CD 4.28Å; L601-K609 HydrophobicContact CD1-CG 4.04Å
602	H	90.1	Very high	94.9	Very high	152 Å²	152	64.1 Å²	64.1	70%	0.704	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-74.9	-6.1	175.5	65.5	-91.7	0	0	0	114.3	N600	N600-H602 PolarHBondContact O-N 2.92Å
603	K	89	Confident	95	Very high	101 Å²	101	64.4 Å²	64.4	44%	0.439	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-107.8	13.3	-180	-51.1	-173.7	-175.3	158.8	0	113.3	R474 N600 L601	R474-K603 PolarHBondContact NH2-O 2.88Å; N600-K603 HydrophobicContact CB-CB 4.28Å; N600-K603 HydrophobicContact CB-CD 4.01Å; N600-K603 HydrophobicContact CB-CG 4.14Å; N600-K603 WeakPolarHBondContact O-CB 3.47Å; N600-K603 PolarHBondContact O-N 2.84Å; N600-K603 WeakPolarHBondContact OD1-CD 3.36Å; N600-K603 VanDerWaalsContact OD1-CE 3.24Å; N600-K603 WeakPolarHBondContact OD1-CE 3.46Å; N600-K603 PolarHBondContact OD1-NZ 2.66Å; L601-K603 PolarHBondContact O-N 2.91Å
604	V	94.9	Very high	95.1	Very high	20 Å²	20	66.1 Å²	66.1	12%	0.121	33%	0.329	C	S	.	.	S	Bend	trans	-126.1	150.5	176.7	-61.5	0	0	0	0	110.9	E477 V572 L598 L601 L608	E477-V604 WeakPolarHBondContact OE1-CA 3.27Å; V572-V604 HydrophobicContact CG1-CG1 3.61Å; V572-V604 HydrophobicContact CG2-CG1 4.04Å; L598-V604 HydrophobicContact CD1-CB 4.45Å; L598-V604 HydrophobicContact CD1-CG1 4.01Å; L598-V604 HydrophobicContact CD1-CG2 3.7Å; L601-V604 HydrophobicContact CD1-CG2 4.13Å; L601-V604 WeakPolarHBondContact O-CG2 3.12Å; V604-L608 HydrophobicContact CB-CB 4.34Å; V604-L608 HydrophobicContact CB-CD2 3.96Å; V604-L608 HydrophobicContact CB-CG 4.23Å; V604-L608 HydrophobicContact CG1-CD2 3.67Å; V604-L608 HydrophobicContact CG1-CG 4.31Å
605	S	97.5	Very high	95.2	Very high	24 Å²	24	58.9 Å²	58.9	17%	0.168	30%	0.295	C	S	.	.			trans	-76.4	158.2	178.1	72.1	0	0	0	0	112	E477 L607 L608 K609 K637	E477-S605 VanDerWaalsContact CD-OG 3.3Å; E477-S605 WeakPolarHBondContact OE1-CB 3.35Å; E477-S605 PolarHBondContact OE1-N 3.27Å; E477-S605 PolarHBondContact OE1-OG 3.33Å; E477-S605 VanDerWaalsContact OE1-OG 3.11Å; E477-S605 WeakPolarHBondContact OE2-CB 3.46Å; E477-S605 PolarHBondContact OE2-OG 3.16Å; S605-L607 PolarHBondContact O-N 3.37Å; S605-L607 VanDerWaalsContact O-N 3.13Å; S605-L608 PolarHBondContact O-N 3.22Å; S605-L608 VanDerWaalsContact O-N 3.15Å; S605-L608 PolarHBondContact OG-N 2.85Å; S605-K609 PolarHBondContact O-N 3.44Å; S605-K637 PolarHBondContact OG-NZ 3Å
606	P	97.6	Very high	95.3	Very high	115 Å²	115	57.5 Å²	57.5	75%	0.747	29%	0.286	S	S	*	.	H	α-helix	trans	-55.3	-28.7	172.3	-27.4	36.1	0	0	0	113.7	G610	P606-G610 PolarHBondContact O-N 2.93Å
607	L	97.6	Very high	95.5	Very high	54 Å²	54	58.6 Å²	58.6	28%	0.283	29%	0.292	S	S	.	.	H	α-helix	trans	-70	-45.3	176.8	-66.8	176.1	0	0	0	112.3	S605 K609 G610 F611 H632 Q633 F634	S605-L607 PolarHBondContact O-N 3.37Å; S605-L607 VanDerWaalsContact O-N 3.13Å; L607-K609 VanDerWaalsContact C-N 3.34Å; L607-G610 PolarHBondContact O-N 3.2Å; L607-F611 WeakPolarHBondContact O-CB 3.45Å; L607-F611 PolarHBondContact O-N 2.64Å; L607-H632 PolarHBondContact O-CE1 3.01Å; L607-Q633 HydrophobicContact CD2-CB 4.3Å; L607-Q633 HydrophobicContact CD2-CG 4.28Å; L607-F634 HydrophobicContact CB-CB 4.43Å; L607-F634 HydrophobicContact CB-CD2 4.38Å
608	L	98.4	Very high	95.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.5	-38.7	174.6	177	49.7	0	0	0	110.8	E477 I480 V568 V572 V604 S605 F611 L612 F634	E477-L608 HydrophobicContact CG-CD2 3.88Å; I480-L608 HydrophobicContact CD1-CD2 4.31Å; I480-L608 HydrophobicContact CG2-CD1 4.29Å; V568-L608 HydrophobicContact CG1-CD1 3.82Å; V572-L608 HydrophobicContact CG2-CD2 4.1Å; V604-L608 HydrophobicContact CB-CB 4.34Å; V604-L608 HydrophobicContact CB-CD2 3.96Å; V604-L608 HydrophobicContact CB-CG 4.23Å; V604-L608 HydrophobicContact CG1-CD2 3.67Å; V604-L608 HydrophobicContact CG1-CG 4.31Å; S605-L608 PolarHBondContact O-N 3.22Å; S605-L608 VanDerWaalsContact O-N 3.15Å; S605-L608 PolarHBondContact OG-N 2.85Å; L608-F611 HydrophobicContact CD1-CD1 4.38Å; L608-F611 PolarHBondContact O-N 2.86Å; L608-L612 WeakPolarHBondContact O-CB 3.33Å; L608-L612 PolarHBondContact O-N 3.39Å; L608-F634 HydrophobicContact CB-CD2 3.84Å; L608-F634 HydrophobicContact CB-CE2 3.65Å; L608-F634 HydrophobicContact CB-CZ 4.34Å; L608-F634 HydrophobicContact CD1-CD1 4.45Å; L608-F634 HydrophobicContact CD1-CD2 4.38Å; L608-F634 HydrophobicContact CD1-CE1 3.97Å; L608-F634 HydrophobicContact CD1-CE2 3.91Å; L608-F634 HydrophobicContact CD1-CZ 3.7Å; L608-F634 HydrophobicContact CD2-CE2 4.31Å; L608-F634 HydrophobicContact CD2-CZ 4.4Å; L608-F634 HydrophobicContact CG-CE2 4.15Å; L608-F634 HydrophobicContact CG-CZ 4.36Å
609	K	98	Very high	95.9	Very high	80 Å²	80	59.1 Å²	59.1	35%	0.348	29%	0.293	S	S	.	.	H	α-helix	trans	-59.6	-52.4	173.3	-168.1	-157	174.4	-58.8	0	111.6	L601 S605 L607 F611 L612 D613	L601-K609 HydrophobicContact CD1-CD 4.28Å; L601-K609 HydrophobicContact CD1-CG 4.04Å; S605-K609 PolarHBondContact O-N 3.44Å; L607-K609 VanDerWaalsContact C-N 3.34Å; K609-F611 VanDerWaalsContact C-N 3.28Å; K609-F611 PolarHBondContact O-N 2.99Å; K609-L612 PolarHBondContact O-N 2.82Å; K609-L612 VanDerWaalsContact O-N 3.1Å; K609-D613 IonicContact NZ-OD1 2.71Å; K609-D613 PolarHBondContact NZ-OD1 2.95Å; K609-D613 IonicContact NZ-OD2 2.67Å; K609-D613 PolarHBondContact NZ-OD2 3.26Å; K609-D613 PolarHBondContact O-N 3.06Å
610	G	98.2	Very high	96.2	Very high	22 Å²	22	54 Å²	54	23%	0.227	27%	0.272	C	S	.	.	H	α-helix	trans	-62.2	-33.8	-179.8	0	0	0	0	0	113.5	P606 L607 R614	P606-G610 PolarHBondContact O-N 2.93Å; L607-G610 PolarHBondContact O-N 3.2Å; G610-R614 WeakPolarHBondContact O-CG 3.37Å; G610-R614 PolarHBondContact O-N 2.76Å
611	F	98.7	Very high	96.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.9	-46.6	171.9	-174.4	-122.8	0	0	0	111.7	C484 L488 L607 L608 K609 R614 M615 L629 H632 F634 L635	C484-F611 HydrophobicContact CB-CE1 3.88Å; C484-F611 HydrophobicContact CB-CZ 4.04Å; L488-F611 HydrophobicContact CD1-CE2 4.15Å; L488-F611 HydrophobicContact CD1-CZ 3.75Å; L607-F611 WeakPolarHBondContact O-CB 3.45Å; L607-F611 PolarHBondContact O-N 2.64Å; L608-F611 HydrophobicContact CD1-CD1 4.38Å; L608-F611 PolarHBondContact O-N 2.86Å; K609-F611 VanDerWaalsContact C-N 3.28Å; K609-F611 PolarHBondContact O-N 2.99Å; F611-R614 PolarHBondContact O-N 2.99Å; F611-M615 HydrophobicContact CD1-CE 3.49Å; F611-M615 VanDerWaalsContact CD1-CE 3.49Å; F611-M615 HydrophobicContact CE1-CE 3.48Å; F611-M615 VanDerWaalsContact CE1-CE 3.48Å; F611-M615 HydrophobicContact CE1-SD 4.34Å; F611-M615 HydrophobicContact CG-CE 4.06Å; F611-M615 HydrophobicContact CZ-CE 4.06Å; F611-M615 HydrophobicContact CZ-SD 4.41Å; F611-L629 HydrophobicContact CD2-CD2 3.9Å; F611-L629 HydrophobicContact CE2-CB 4.09Å; F611-L629 HydrophobicContact CE2-CD2 3.76Å; F611-L629 HydrophobicContact CE2-CG 4.49Å; F611-H632 HydrophobicContact CD2-CB 3.84Å; F611-H632 AromaticContact CD2-CG 3.67Å; F611-H632 AromaticContact CD2-ND1 3.37Å; F611-H632 WeakPolarHBondContact CD2-ND1 3.32Å; F611-H632 HydrophobicContact CE2-CB 4.14Å; F611-H632 AromaticContact CG-ND1 3.84Å; F611-H632 PolarHBondContact N-CE1 3.35Å; F611-F634 HydrophobicContact CB-CB 3.83Å; F611-F634 HydrophobicContact CB-CD1 4.17Å; F611-F634 HydrophobicContact CB-CG 4.08Å; F611-F634 HydrophobicContact CD1-CB 4.49Å; F611-F634 AromaticContact CD1-CD1 3.34Å; F611-F634 HydrophobicContact CD1-CD1 3.34Å; F611-F634 AromaticContact CD1-CE1 3.87Å; F611-F634 HydrophobicContact CD1-CE1 3.87Å; F611-F634 HydrophobicContact CD1-CG 4.11Å; F611-F634 HydrophobicContact CD2-CB 4.32Å; F611-F634 HydrophobicContact CD2-CD1 4.34Å; F611-F634 AromaticContact CE1-CD1 3.66Å; F611-F634 HydrophobicContact CE1-CD1 3.66Å; F611-F634 AromaticContact CE1-CE1 4Å; F611-F634 HydrophobicContact CE1-CE1 4Å; F611-F634 HydrophobicContact CG-CB 4Å; F611-F634 AromaticContact CG-CD1 3.72Å; F611-F634 HydrophobicContact CG-CD1 3.72Å; F611-F634 HydrophobicContact CG-CG 4.1Å; F611-F634 HydrophobicContact CZ-CD1 4.25Å; F611-L635 HydrophobicContact CE1-CD2 4.33Å; F611-L635 HydrophobicContact CE2-CD1 4.42Å; F611-L635 HydrophobicContact CE2-CD2 4.22Å; F611-L635 HydrophobicContact CE2-CG 4.17Å; F611-L635 HydrophobicContact CZ-CD2 3.77Å; F611-L635 HydrophobicContact CZ-CG 4.23Å
612	L	98.6	Very high	97.2	Very high	10 Å²	10	58.7 Å²	58.7	5%	0.052	30%	0.304	C	S	.	.	H	α-helix	trans	-67.1	-39.1	177.9	-174.9	60.7	0	0	0	112.5	G565 V568 I569 L598 L608 K609 R614 M615 L616	G565-L612 VanDerWaalsContact O-CD1 3.25Å; G565-L612 WeakPolarHBondContact O-CD1 3.36Å; V568-L612 HydrophobicContact CB-CD1 4.11Å; V568-L612 HydrophobicContact CG1-CD1 4Å; I569-L612 HydrophobicContact CG1-CD2 4.16Å; L598-L612 HydrophobicContact CD1-CD2 3.78Å; L598-L612 HydrophobicContact CD2-CD2 4.16Å; L598-L612 HydrophobicContact CG-CD2 3.69Å; L608-L612 WeakPolarHBondContact O-CB 3.33Å; L608-L612 PolarHBondContact O-N 3.39Å; K609-L612 PolarHBondContact O-N 2.82Å; K609-L612 VanDerWaalsContact O-N 3.1Å; L612-R614 PolarHBondContact O-N 3.35Å; L612-M615 HydrophobicContact CD1-CE 4.3Å; L612-M615 PolarHBondContact O-N 3.43Å; L612-L616 HydrophobicContact CD1-CD1 3.59Å; L612-L616 HydrophobicContact CD1-CG 3.87Å; L612-L616 HydrophobicContact CD2-CD1 4.36Å; L612-L616 HydrophobicContact CG-CD1 3.91Å; L612-L616 HydrophobicContact CG-CG 4.41Å; L612-L616 PolarHBondContact O-N 2.88Å
613	D	98.4	Very high	97.7	Very high	83 Å²	83	52 Å²	52	44%	0.444	27%	0.273	S	S	.	.	H	α-helix	trans	-58.9	-31.8	175.8	-64.1	-36.1	0	0	0	111.9	K609 V617	K609-D613 IonicContact NZ-OD1 2.71Å; K609-D613 PolarHBondContact NZ-OD1 2.95Å; K609-D613 IonicContact NZ-OD2 2.67Å; K609-D613 PolarHBondContact NZ-OD2 3.26Å; K609-D613 PolarHBondContact O-N 3.06Å; D613-V617 VanDerWaalsContact O-CG2 3.31Å; D613-V617 WeakPolarHBondContact O-CG2 3.46Å
614	R	98.7	Very high	98.1	Very high	103 Å²	103	47.3 Å²	47.3	39%	0.389	25%	0.253	S	S	.	.	H	α-helix	trans	-76.8	-17.9	175.8	-72	-76.4	-69.4	177	2.8	113.9	G610 F611 L612 A624 E628 L629	G610-R614 WeakPolarHBondContact O-CG 3.37Å; G610-R614 PolarHBondContact O-N 2.76Å; F611-R614 PolarHBondContact O-N 2.99Å; L612-R614 PolarHBondContact O-N 3.35Å; R614-A624 HydrophobicContact CB-CB 4.1Å; R614-A624 PolarHBondContact O-N 2.75Å; R614-A624 VanDerWaalsContact O-N 3.1Å; R614-E628 IonicContact NH2-OE1 3.11Å; R614-E628 PolarHBondContact NH2-OE1 3.07Å; R614-L629 HydrophobicContact CB-CD2 4.03Å
615	M	98.8	Very high	98.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-96.8	-42.3	179.6	-69.4	-173.3	-75.1	0	0	112.8	I561 L564 V568 F611 L612 V617 R623 L629	I561-M615 HydrophobicContact CG2-CB 4.08Å; I561-M615 HydrophobicContact CG2-CG 3.74Å; L564-M615 HydrophobicContact CB-SD 4.39Å; L564-M615 HydrophobicContact CD2-SD 3.92Å; L564-M615 HydrophobicContact CG-SD 3.9Å; V568-M615 HydrophobicContact CB-CE 4.49Å; V568-M615 HydrophobicContact CG2-CE 4.02Å; F611-M615 HydrophobicContact CD1-CE 3.49Å; F611-M615 VanDerWaalsContact CD1-CE 3.49Å; F611-M615 HydrophobicContact CE1-CE 3.48Å; F611-M615 VanDerWaalsContact CE1-CE 3.48Å; F611-M615 HydrophobicContact CE1-SD 4.34Å; F611-M615 HydrophobicContact CG-CE 4.06Å; F611-M615 HydrophobicContact CZ-CE 4.06Å; F611-M615 HydrophobicContact CZ-SD 4.41Å; L612-M615 HydrophobicContact CD1-CE 4.3Å; L612-M615 PolarHBondContact O-N 3.43Å; M615-V617 PolarHBondContact O-N 3.37Å; M615-R623 VanDerWaalsContact O-CD 3.27Å; M615-R623 WeakPolarHBondContact O-CD 3.44Å; M615-R623 VanDerWaalsContact O-CG 3.29Å; M615-R623 WeakPolarHBondContact O-CG 3.15Å; M615-L629 HydrophobicContact CG-CD1 3.63Å; M615-L629 HydrophobicContact CG-CD2 3.92Å; M615-L629 HydrophobicContact CG-CG 4.46Å; M615-L629 HydrophobicContact SD-CD1 4.1Å
616	L	98.7	Very high	98.4	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.052	26%	0.261	C	S	.	.	S	Bend	trans	-87.1	40.7	-177.2	-64.5	179.8	0	0	0	113.3	W562 I566 I569 P595 P596 L612	W562-L616 HydrophobicContact CD2-CD2 3.93Å; W562-L616 HydrophobicContact CE3-CD2 4.1Å; W562-L616 HydrophobicContact CG-CD2 4.37Å; W562-L616 HydrophobicContact CH2-CD2 4.49Å; W562-L616 HydrophobicContact CZ2-CD2 4.32Å; W562-L616 HydrophobicContact CZ3-CB 4.34Å; W562-L616 HydrophobicContact CZ3-CD2 4.38Å; I566-L616 HydrophobicContact CD1-CD2 3.85Å; I566-L616 HydrophobicContact CG1-CD2 4.2Å; I569-L616 HydrophobicContact CD1-CD1 3.72Å; I569-L616 HydrophobicContact CG1-CD1 4.39Å; P595-L616 HydrophobicContact CB-CB 4.34Å; P595-L616 WeakPolarHBondContact CB-O 3.45Å; P595-L616 WeakPolarHBondContact CG-O 3.47Å; P596-L616 HydrophobicContact CG-CD1 4.22Å; L612-L616 HydrophobicContact CD1-CD1 3.59Å; L612-L616 HydrophobicContact CD1-CG 3.87Å; L612-L616 HydrophobicContact CD2-CD1 4.36Å; L612-L616 HydrophobicContact CG-CD1 3.91Å; L612-L616 HydrophobicContact CG-CG 4.41Å; L612-L616 PolarHBondContact O-N 2.88Å
617	V	98.7	Very high	98.4	Very high	36 Å²	36	45.4 Å²	45.4	22%	0.218	24%	0.241	C	C	.	.			trans	-83.3	126.5	174.7	-172.7	0	0	0	0	109.5	D613 M615 Q622 R623	D613-V617 VanDerWaalsContact O-CG2 3.31Å; D613-V617 WeakPolarHBondContact O-CG2 3.46Å; M615-V617 PolarHBondContact O-N 3.37Å; V617-Q622 HydrophobicContact CG1-CB 3.86Å; V617-R623 HydrophobicContact CB-CB 4.04Å; V617-R623 HydrophobicContact CB-CG 4.19Å; V617-R623 PolarHBondContact O-NE 3.41Å; V617-R623 PolarHBondContact O-NH2 2.72Å
618	R	97.6	Very high	98.5	Very high	84 Å²	84	46.8 Å²	46.8	32%	0.317	25%	0.246	S	C	.	.	S	Bend	trans	-64.3	-44.7	-180	-75.5	-175.3	59.5	82.9	8.6	112.6	W562 I590 R591 N593 P595 P620 R623	W562-R618 HydrophobicContact CZ3-CG 4.44Å; I590-R618 PolarHBondContact O-NH1 3.33Å; R591-R618 VanDerWaalsContact O-CZ 3.31Å; R591-R618 PolarHBondContact O-NH1 3.49Å; R591-R618 PolarHBondContact O-NH2 2.88Å; N593-R618 PolarHBondContact O-NH1 3.37Å; P595-R618 HydrophobicContact CG-CG 3.96Å; R618-P620 VanDerWaalsContact O-CD 3.32Å; R618-P620 WeakPolarHBondContact O-CD 3.5Å; R618-R623 PolarHBondContact O-NH2 3.32Å
619	E	98.1	Very high	98.5	Very high	111 Å²	111	46.9 Å²	46.9	52%	0.519	25%	0.246	S	C	.	.	S	Bend	trans	-76.6	113.4	179.2	178.3	46.9	-121.8	0	0	110.1	A621 Q622 R623	E619-A621 VanDerWaalsContact C-N 3.27Å; E619-A621 HydrophobicContact CG-CB 4.49Å; E619-A621 PolarHBondContact O-N 2.84Å; E619-A621 PolarHBondContact OE1-N 2.71Å; E619-Q622 HydrophobicContact CB-CB 4.26Å; E619-Q622 HydrophobicContact CB-CG 4.28Å; E619-Q622 HydrophobicContact CG-CB 4.24Å; E619-Q622 HydrophobicContact CG-CG 3.85Å; E619-Q622 PolarHBondContact O-N 3.26Å; E619-R623 PolarHBondContact O-N 3.26Å
620	P	98.1	Very high	98.5	Very high	16 Å²	16	45.6 Å²	45.6	10%	0.104	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-60.9	-35.8	-174.7	-25.4	36.7	0	0	0	112.9	E548 E558 R618 Q622 R623	E548-P620 HydrophobicContact CB-CG 4.03Å; E548-P620 VanDerWaalsContact CD-CG 3.46Å; E548-P620 HydrophobicContact CG-CG 3.69Å; E558-P620 HydrophobicContact CB-CB 4.02Å; E558-P620 HydrophobicContact CG-CB 4.11Å; R618-P620 VanDerWaalsContact O-CD 3.32Å; R618-P620 WeakPolarHBondContact O-CD 3.5Å; P620-Q622 PolarHBondContact O-N 2.8Å; P620-Q622 VanDerWaalsContact O-N 3.14Å; P620-R623 WeakPolarHBondContact O-CB 3.23Å; P620-R623 PolarHBondContact O-N 3.43Å; P620-R623 VanDerWaalsContact O-N 3.12Å
621	A	97.9	Very high	98.5	Very high	76 Å²	76	53 Å²	53	63%	0.628	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-70.3	-5.9	178.4	0	0	0	0	0	114.3	E619	E619-A621 VanDerWaalsContact C-N 3.27Å; E619-A621 HydrophobicContact CG-CB 4.49Å; E619-A621 PolarHBondContact O-N 2.84Å; E619-A621 PolarHBondContact OE1-N 2.71Å
622	Q	98.4	Very high	98.5	Very high	135 Å²	135	55.4 Å²	55.4	63%	0.631	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-115	-1.9	174.4	-61.6	-62.2	-58.4	0	0	112.4	V617 E619 P620	V617-Q622 HydrophobicContact CG1-CB 3.86Å; E619-Q622 HydrophobicContact CB-CB 4.26Å; E619-Q622 HydrophobicContact CB-CG 4.28Å; E619-Q622 HydrophobicContact CG-CB 4.24Å; E619-Q622 HydrophobicContact CG-CG 3.85Å; E619-Q622 PolarHBondContact O-N 3.26Å; P620-Q622 PolarHBondContact O-N 2.8Å; P620-Q622 VanDerWaalsContact O-N 3.14Å
623	R	98.8	Very high	98.5	Very high	12 Å²	12	61.1 Å²	61.1	5%	0.045	31%	0.306	C	S	.	.	S	Bend	trans	-78.9	137.6	174.8	-161.4	179.4	-60	147.8	5.6	108.9	E548 E558 I561 M615 V617 R618 E619 P620	E548-R623 IonicContact OE1-CZ 2.73Å; E548-R623 IonicContact OE1-NH1 3.14Å; E548-R623 PolarHBondContact OE1-NH1 2.89Å; E548-R623 IonicContact OE1-NH2 2.71Å; E548-R623 PolarHBondContact OE1-NH2 2.87Å; E548-R623 IonicContact OE2-CZ 3.77Å; E548-R623 IonicContact OE2-NH1 3.28Å; E548-R623 IonicContact OE2-NH2 3.65Å; E548-R623 PolarHBondContact OE2-NH2 2.71Å; E558-R623 VanDerWaalsContact C-NH1 3.3Å; E558-R623 WeakPolarHBondContact O-CD 3.49Å; E558-R623 PolarHBondContact O-NH1 2.75Å; I561-R623 HydrophobicContact CB-CG 4.47Å; I561-R623 HydrophobicContact CG2-CG 4.18Å; M615-R623 VanDerWaalsContact O-CD 3.27Å; M615-R623 WeakPolarHBondContact O-CD 3.44Å; M615-R623 VanDerWaalsContact O-CG 3.29Å; M615-R623 WeakPolarHBondContact O-CG 3.15Å; V617-R623 HydrophobicContact CB-CB 4.04Å; V617-R623 HydrophobicContact CB-CG 4.19Å; V617-R623 PolarHBondContact O-NE 3.41Å; V617-R623 PolarHBondContact O-NH2 2.72Å; R618-R623 PolarHBondContact O-NH2 3.32Å; E619-R623 PolarHBondContact O-N 3.26Å; P620-R623 WeakPolarHBondContact O-CB 3.23Å; P620-R623 PolarHBondContact O-N 3.43Å; P620-R623 VanDerWaalsContact O-N 3.12Å
624	A	98.8	Very high	98.5	Very high	3 Å²	3	57.1 Å²	57.1	3%	0.025	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-66.1	144.4	-180	0	0	0	0	0	111.4	I561 R614 E628 L629	I561-A624 WeakPolarHBondContact CG2-O 3.41Å; R614-A624 HydrophobicContact CB-CB 4.1Å; R614-A624 PolarHBondContact O-N 2.75Å; R614-A624 VanDerWaalsContact O-N 3.1Å; A624-E628 HydrophobicContact CB-CB 4.4Å; A624-L629 HydrophobicContact CB-CD1 4.15Å; A624-L629 HydrophobicContact CB-CD2 3.88Å; A624-L629 HydrophobicContact CB-CG 3.73Å
625	T	98.9	Very high	98.5	Very high	70 Å²	70	52.9 Å²	52.9	43%	0.429	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-75.7	161.9	170.9	59.2	0	0	0	0	111.6	S627 E628 L629	T625-S627 PolarHBondContact O-N 2.83Å; T625-E628 WeakPolarHBondContact CB-OE2 3.43Å; T625-E628 PolarHBondContact N-OE2 3.49Å; T625-E628 PolarHBondContact O-N 3.43Å; T625-E628 VanDerWaalsContact O-N 3.17Å; T625-E628 WeakPolarHBondContact OG1-CG 3.2Å; T625-E628 PolarHBondContact OG1-N 3.32Å; T625-E628 PolarHBondContact OG1-OE2 2.64Å; T625-L629 WeakPolarHBondContact O-CG 3.46Å; T625-L629 PolarHBondContact O-N 2.76Å
626	A	98.8	Very high	98.5	Very high	2 Å²	2	57.6 Å²	57.6	2%	0.017	30%	0.303	C	S	.	.	H	α-helix	trans	-54.3	-43	173.7	0	0	0	0	0	112	L488 L491 I561 E628 L629 L630	L488-A626 HydrophobicContact CD2-CB 4.04Å; L491-A626 HydrophobicContact CB-CB 4.15Å; I561-A626 HydrophobicContact CD1-CB 3.98Å; A626-E628 VanDerWaalsContact C-N 3.33Å; A626-E628 PolarHBondContact O-N 2.98Å; A626-L629 PolarHBondContact O-N 3.18Å; A626-L630 WeakPolarHBondContact O-CG 3.48Å; A626-L630 PolarHBondContact O-N 3.3Å
627	S	98.6	Very high	98.5	Very high	47 Å²	47	60.6 Å²	60.6	33%	0.329	32%	0.315	S	S	.	.	H	α-helix	trans	-73.2	-18.5	-178.2	-39.3	0	0	0	0	114.4	S492 T625 K631	S492-S627 PolarHBondContact OG-OG 2.94Å; T625-S627 PolarHBondContact O-N 2.83Å; S627-K631 VanDerWaalsContact O-CE 3.26Å; S627-K631 WeakPolarHBondContact O-CE 3.43Å
628	E	98.7	Very high	98.5	Very high	82 Å²	82	60.3 Å²	60.3	38%	0.383	32%	0.317	S	S	.	.	H	α-helix	trans	-81.4	-42.6	166	-75.2	167.6	93.5	0	0	111.4	R614 A624 T625 A626 L630 K631	R614-E628 IonicContact NH2-OE1 3.11Å; R614-E628 PolarHBondContact NH2-OE1 3.07Å; A624-E628 HydrophobicContact CB-CB 4.4Å; T625-E628 WeakPolarHBondContact CB-OE2 3.43Å; T625-E628 PolarHBondContact N-OE2 3.49Å; T625-E628 PolarHBondContact O-N 3.43Å; T625-E628 VanDerWaalsContact O-N 3.17Å; T625-E628 WeakPolarHBondContact OG1-CG 3.2Å; T625-E628 PolarHBondContact OG1-N 3.32Å; T625-E628 PolarHBondContact OG1-OE2 2.64Å; A626-E628 VanDerWaalsContact C-N 3.33Å; A626-E628 PolarHBondContact O-N 2.98Å; E628-L630 VanDerWaalsContact C-N 3.28Å; E628-L630 PolarHBondContact O-N 3.46Å; E628-K631 WeakPolarHBondContact O-CA 3.21Å; E628-K631 WeakPolarHBondContact O-CB 3.36Å; E628-K631 PolarHBondContact O-N 3.13Å
629	L	98.8	Very high	98.5	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-33.2	-179.5	-71.4	165	0	0	0	112	L488 I561 F611 R614 M615 A624 T625 A626 K631 H632 L635	L488-L629 HydrophobicContact CD1-CB 3.67Å; L488-L629 HydrophobicContact CD2-CB 3.86Å; L488-L629 HydrophobicContact CD2-CD1 4.03Å; L488-L629 HydrophobicContact CG-CB 4.45Å; I561-L629 HydrophobicContact CD1-CD1 4.29Å; I561-L629 HydrophobicContact CG2-CD1 3.45Å; I561-L629 VanDerWaalsContact CG2-CD1 3.45Å; F611-L629 HydrophobicContact CD2-CD2 3.9Å; F611-L629 HydrophobicContact CE2-CB 4.09Å; F611-L629 HydrophobicContact CE2-CD2 3.76Å; F611-L629 HydrophobicContact CE2-CG 4.49Å; R614-L629 HydrophobicContact CB-CD2 4.03Å; M615-L629 HydrophobicContact CG-CD1 3.63Å; M615-L629 HydrophobicContact CG-CD2 3.92Å; M615-L629 HydrophobicContact CG-CG 4.46Å; M615-L629 HydrophobicContact SD-CD1 4.1Å; A624-L629 HydrophobicContact CB-CD1 4.15Å; A624-L629 HydrophobicContact CB-CD2 3.88Å; A624-L629 HydrophobicContact CB-CG 3.73Å; T625-L629 WeakPolarHBondContact O-CG 3.46Å; T625-L629 PolarHBondContact O-N 2.76Å; A626-L629 PolarHBondContact O-N 3.18Å; L629-K631 PolarHBondContact O-N 3.44Å; L629-K631 VanDerWaalsContact O-N 3.09Å; L629-H632 VanDerWaalsContact O-CB 3.3Å; L629-H632 WeakPolarHBondContact O-CB 3.44Å; L629-H632 PolarHBondContact O-N 3.44Å; L629-L635 WeakPolarHBondContact O-CD1 3.24Å
630	L	98.8	Very high	98.5	Very high	54 Å²	54	55.6 Å²	55.6	28%	0.283	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-19.4	168.9	-77.6	175.8	0	0	0	114.1	L485 L488 K489 A626 E628 L635	L485-L630 HydrophobicContact CD1-CD2 3.76Å; L488-L630 HydrophobicContact CB-CD2 3.61Å; L488-L630 HydrophobicContact CB-CG 3.95Å; K489-L630 HydrophobicContact CG-CD2 4.09Å; A626-L630 WeakPolarHBondContact O-CG 3.48Å; A626-L630 PolarHBondContact O-N 3.3Å; E628-L630 VanDerWaalsContact C-N 3.28Å; E628-L630 PolarHBondContact O-N 3.46Å; L630-L635 HydrophobicContact CD2-CD1 4.5Å
631	K	98.5	Very high	98.4	Very high	177 Å²	177	57.4 Å²	57.4	77%	0.77	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-1	178.4	-55.6	170.3	-173.8	170.9	0	112.8	S627 E628 L629	S627-K631 VanDerWaalsContact O-CE 3.26Å; S627-K631 WeakPolarHBondContact O-CE 3.43Å; E628-K631 WeakPolarHBondContact O-CA 3.21Å; E628-K631 WeakPolarHBondContact O-CB 3.36Å; E628-K631 PolarHBondContact O-N 3.13Å; L629-K631 PolarHBondContact O-N 3.44Å; L629-K631 VanDerWaalsContact O-N 3.09Å
632	H	98.8	Very high	98.4	Very high	50 Å²	50	57.4 Å²	57.4	23%	0.231	32%	0.317	C	S	.	.	S	Bend	trans	-77.2	133.4	-175.1	-171.8	-94.3	0	0	0	111.9	L607 F611 L629 F634 L635	L607-H632 PolarHBondContact O-CE1 3.01Å; F611-H632 HydrophobicContact CD2-CB 3.84Å; F611-H632 AromaticContact CD2-CG 3.67Å; F611-H632 AromaticContact CD2-ND1 3.37Å; F611-H632 WeakPolarHBondContact CD2-ND1 3.32Å; F611-H632 HydrophobicContact CE2-CB 4.14Å; F611-H632 AromaticContact CG-ND1 3.84Å; F611-H632 PolarHBondContact N-CE1 3.35Å; L629-H632 VanDerWaalsContact O-CB 3.3Å; L629-H632 WeakPolarHBondContact O-CB 3.44Å; L629-H632 PolarHBondContact O-N 3.44Å; H632-F634 WeakPolarHBondContact ND1-CB 3.39Å; H632-F634 PolarHBondContact ND1-N 3.25Å; H632-F634 PolarHBondContact O-N 3.08Å; H632-L635 PolarHBondContact O-N 3.46Å
633	Q	98.4	Very high	98.4	Very high	130 Å²	130	51.6 Å²	51.6	61%	0.607	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-54.9	-28	-172.3	-169.3	179.7	21.9	0	0	114.3	L607 L635 S636	L607-Q633 HydrophobicContact CD2-CB 4.3Å; L607-Q633 HydrophobicContact CD2-CG 4.28Å; Q633-L635 PolarHBondContact O-N 3.22Å; Q633-S636 WeakPolarHBondContact O-CB 3.42Å; Q633-S636 PolarHBondContact O-N 3.43Å; Q633-S636 PolarHBondContact O-OG 3.44Å; Q633-S636 VanDerWaalsContact O-OG 3.05Å
634	F	98.8	Very high	98.3	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-53.1	-37.2	173.4	175.8	-107.6	0	0	0	113.3	E477 I480 A481 L607 L608 F611 H632 S636 K637	E477-F634 HydrophobicContact CB-CE2 4.11Å; E477-F634 HydrophobicContact CG-CE2 4.43Å; E477-F634 WeakPolarHBondContact O-CZ 3.37Å; I480-F634 HydrophobicContact CB-CZ 4.25Å; I480-F634 HydrophobicContact CG2-CE1 4.09Å; I480-F634 HydrophobicContact CG2-CZ 3.84Å; A481-F634 HydrophobicContact CB-CD1 4.35Å; A481-F634 HydrophobicContact CB-CE1 3.73Å; A481-F634 HydrophobicContact CB-CE2 4.49Å; A481-F634 HydrophobicContact CB-CZ 3.79Å; L607-F634 HydrophobicContact CB-CB 4.43Å; L607-F634 HydrophobicContact CB-CD2 4.38Å; L608-F634 HydrophobicContact CB-CD2 3.84Å; L608-F634 HydrophobicContact CB-CE2 3.65Å; L608-F634 HydrophobicContact CB-CZ 4.34Å; L608-F634 HydrophobicContact CD1-CD1 4.45Å; L608-F634 HydrophobicContact CD1-CD2 4.38Å; L608-F634 HydrophobicContact CD1-CE1 3.97Å; L608-F634 HydrophobicContact CD1-CE2 3.91Å; L608-F634 HydrophobicContact CD1-CZ 3.7Å; L608-F634 HydrophobicContact CD2-CE2 4.31Å; L608-F634 HydrophobicContact CD2-CZ 4.4Å; L608-F634 HydrophobicContact CG-CE2 4.15Å; L608-F634 HydrophobicContact CG-CZ 4.36Å; F611-F634 HydrophobicContact CB-CB 3.83Å; F611-F634 HydrophobicContact CB-CD1 4.17Å; F611-F634 HydrophobicContact CB-CG 4.08Å; F611-F634 HydrophobicContact CD1-CB 4.49Å; F611-F634 AromaticContact CD1-CD1 3.34Å; F611-F634 HydrophobicContact CD1-CD1 3.34Å; F611-F634 AromaticContact CD1-CE1 3.87Å; F611-F634 HydrophobicContact CD1-CE1 3.87Å; F611-F634 HydrophobicContact CD1-CG 4.11Å; F611-F634 HydrophobicContact CD2-CB 4.32Å; F611-F634 HydrophobicContact CD2-CD1 4.34Å; F611-F634 AromaticContact CE1-CD1 3.66Å; F611-F634 HydrophobicContact CE1-CD1 3.66Å; F611-F634 AromaticContact CE1-CE1 4Å; F611-F634 HydrophobicContact CE1-CE1 4Å; F611-F634 HydrophobicContact CG-CB 4Å; F611-F634 AromaticContact CG-CD1 3.72Å; F611-F634 HydrophobicContact CG-CD1 3.72Å; F611-F634 HydrophobicContact CG-CG 4.1Å; F611-F634 HydrophobicContact CZ-CD1 4.25Å; H632-F634 WeakPolarHBondContact ND1-CB 3.39Å; H632-F634 PolarHBondContact ND1-N 3.25Å; H632-F634 PolarHBondContact O-N 3.08Å; F634-S636 PolarHBondContact O-N 3.3Å; F634-K637 HydrophobicContact CD2-CD 4.36Å; F634-K637 HydrophobicContact CE2-CD 4.27Å; F634-K637 WeakPolarHBondContact O-CB 3.31Å; F634-K637 PolarHBondContact O-N 3.27Å; F634-K637 VanDerWaalsContact O-N 3.12Å
635	L	98.6	Very high	98.2	Very high	14 Å²	14	51.9 Å²	51.9	7%	0.073	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-72.1	-10.6	-178.8	-59.8	-176.8	0	0	0	113.6	C484 L485 L488 F611 L629 L630 H632 Q633 K637 A638	C484-L635 HydrophobicContact CB-CD2 3.83Å; L485-L635 HydrophobicContact CB-CD2 4.31Å; L485-L635 HydrophobicContact CD1-CD1 4.21Å; L488-L635 HydrophobicContact CD1-CD1 3.85Å; F611-L635 HydrophobicContact CE1-CD2 4.33Å; F611-L635 HydrophobicContact CE2-CD1 4.42Å; F611-L635 HydrophobicContact CE2-CD2 4.22Å; F611-L635 HydrophobicContact CE2-CG 4.17Å; F611-L635 HydrophobicContact CZ-CD2 3.77Å; F611-L635 HydrophobicContact CZ-CG 4.23Å; L629-L635 WeakPolarHBondContact O-CD1 3.24Å; L630-L635 HydrophobicContact CD2-CD1 4.5Å; H632-L635 PolarHBondContact O-N 3.46Å; Q633-L635 PolarHBondContact O-N 3.22Å; L635-K637 PolarHBondContact O-N 3.33Å; L635-K637 VanDerWaalsContact O-N 3.16Å; L635-A638 VanDerWaalsContact O-CB 3.28Å; L635-A638 WeakPolarHBondContact O-CB 3.34Å; L635-A638 PolarHBondContact O-N 3.48Å
636	S	97.9	Very high	98	Very high	99 Å²	99	51.3 Å²	51.3	69%	0.692	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-68.6	-5.5	168.9	87.2	0	0	0	0	113	Q633 F634	Q633-S636 WeakPolarHBondContact O-CB 3.42Å; Q633-S636 PolarHBondContact O-N 3.43Å; Q633-S636 PolarHBondContact O-OG 3.44Å; Q633-S636 VanDerWaalsContact O-OG 3.05Å; F634-S636 PolarHBondContact O-N 3.3Å
637	K	98.4	Very high	97.7	Very high	72 Å²	72	51.5 Å²	51.5	31%	0.313	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-87.7	-5.8	169.7	-60.3	-168.8	179.8	-169.3	0	113.7	E477 E478 A481 S605 F634 L635 G639	E477-K637 HydrophobicContact CB-CD 4.21Å; E477-K637 IonicContact OE2-NZ 2.65Å; E477-K637 PolarHBondContact OE2-NZ 3.12Å; E478-K637 VanDerWaalsContact CA-O 3.29Å; E478-K637 WeakPolarHBondContact CA-O 3.46Å; E478-K637 WeakPolarHBondContact CG-O 3.39Å; A481-K637 HydrophobicContact CB-CB 3.96Å; S605-K637 PolarHBondContact OG-NZ 3Å; F634-K637 HydrophobicContact CD2-CD 4.36Å; F634-K637 HydrophobicContact CE2-CD 4.27Å; F634-K637 WeakPolarHBondContact O-CB 3.31Å; F634-K637 PolarHBondContact O-N 3.27Å; F634-K637 VanDerWaalsContact O-N 3.12Å; L635-K637 PolarHBondContact O-N 3.33Å; L635-K637 VanDerWaalsContact O-N 3.16Å; K637-G639 PolarHBondContact O-N 2.81Å
638	A	98.6	Very high	97.3	Very high	30 Å²	30	50 Å²	50	25%	0.248	28%	0.28	C	S	.	.			trans	-62.9	121.2	-176.9	0	0	0	0	0	110.9	A481 L485 L635	A481-A638 HydrophobicContact CB-CB 4.06Å; L485-A638 HydrophobicContact CB-CB 4.26Å; L485-A638 HydrophobicContact CD2-CB 3.63Å; L635-A638 VanDerWaalsContact O-CB 3.28Å; L635-A638 WeakPolarHBondContact O-CB 3.34Å; L635-A638 PolarHBondContact O-N 3.48Å
639	G	97.9	Very high	96.5	Very high	19 Å²	19	54.5 Å²	54.5	20%	0.196	29%	0.294	C	S	.	.			trans	-84.4	174.3	176.9	0	0	0	0	0	113.2	T482 K637	T482-G639 PolarHBondContact OG1-N 3.39Å; T482-G639 PolarHBondContact OG1-O 2.81Å; K637-G639 PolarHBondContact O-N 2.81Å
640	P	98.1	Very high	95.3	Very high	77 Å²	77	59.2 Å²	59.2	50%	0.5	32%	0.316	S	S	.	.			trans	-64.4	159	169.4	30.1	-35.8	0	0	0	111.2	S642 C643	P640-S642 WeakPolarHBondContact CG-OG 3.44Å; P640-S642 PolarHBondContact O-N 2.87Å; P640-C643 WeakPolarHBondContact O-CB 3.17Å; P640-C643 PolarHBondContact O-N 3.49Å; P640-C643 PolarHBondContact O-SG 3.17Å
641	P	97.2	Very high	93.7	Very high	54 Å²	54	57.7 Å²	57.7	35%	0.351	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-49.4	-32.5	177.4	-30.5	37	0	0	0	114.6	D514 R516 C643 I644	D514-P641 CarbonylContact O-C 3.35Å; D514-P641 WeakPolarHBondContact O-CB 3.27Å; R516-P641 HydrophobicContact CG-CB 4.05Å; R516-P641 HydrophobicContact CG-CG 3.93Å; P641-C643 PolarHBondContact O-N 2.87Å; P641-C643 VanDerWaalsContact O-N 3.11Å; P641-I644 WeakPolarHBondContact O-CB 3.43Å; P641-I644 PolarHBondContact O-N 3.48Å
642	S	97.3	Very high	92	Very high	76 Å²	76	58 Å²	58	53%	0.531	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-59.3	-19.2	175.7	51.8	0	0	0	0	114.8	P640 I644 V645 P646	P640-S642 WeakPolarHBondContact CG-OG 3.44Å; P640-S642 PolarHBondContact O-N 2.87Å; S642-I644 PolarHBondContact O-N 3.22Å; S642-V645 PolarHBondContact O-N 2.84Å; S642-P646 VanDerWaalsContact O-CD 3.3Å; S642-P646 WeakPolarHBondContact O-CD 3.38Å
643	C	97.4	Very high	89.5	Confident	13 Å²	13	63.6 Å²	63.6	9%	0.088	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-68.5	-22.4	173.3	80.1	0	0	0	0	112.8	E478 Q479 T482 P640 P641	E478-C643 HydrophobicContact CG-CB 4.3Å; E478-C643 WeakPolarHBondContact OE1-CB 3.37Å; Q479-C643 HydrophobicContact CG-CB 4.45Å; Q479-C643 WeakPolarHBondContact CG-O 3.37Å; Q479-C643 PolarHBondContact NE2-O 3Å; T482-C643 PolarHBondContact OG1-SG 2.89Å; T482-C643 VanDerWaalsContact OG1-SG 3.39Å; P640-C643 WeakPolarHBondContact O-CB 3.17Å; P640-C643 PolarHBondContact O-N 3.49Å; P640-C643 PolarHBondContact O-SG 3.17Å; P641-C643 PolarHBondContact O-N 2.87Å; P641-C643 VanDerWaalsContact O-N 3.11Å
644	I	97.3	Very high	86.7	Confident	1 Å²	1	68 Å²	68	1%	0.005	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-31.2	178.1	-54.4	-60.4	0	0	0	111.6	Q479 T482 V483 L511 P641 S642 P646 L647	Q479-I644 HydrophobicContact CB-CD1 3.88Å; Q479-I644 HydrophobicContact CG-CD1 4.12Å; T482-I644 HydrophobicContact CG2-CD1 4.31Å; T482-I644 HydrophobicContact CG2-CG1 4.17Å; V483-I644 HydrophobicContact CG2-CD1 4.2Å; L511-I644 HydrophobicContact CD1-CG2 3.97Å; L511-I644 HydrophobicContact CD2-CG2 4.24Å; P641-I644 WeakPolarHBondContact O-CB 3.43Å; P641-I644 PolarHBondContact O-N 3.48Å; S642-I644 PolarHBondContact O-N 3.22Å; I644-P646 VanDerWaalsContact C-CD 3.45Å; I644-L647 HydrophobicContact CD1-CD1 4.49Å; I644-L647 HydrophobicContact CG2-CD1 4.47Å; I644-L647 VanDerWaalsContact O-CB 3.31Å; I644-L647 WeakPolarHBondContact O-CB 3.43Å; I644-L647 PolarHBondContact O-N 3.28Å
645	V	96.1	Very high	86.1	Confident	20 Å²	20	71.4 Å²	71.4	12%	0.121	36%	0.361	C	S	.	.	H	α-helix	trans	-53.2	-39	-174.8	177.9	0	0	0	0	115	D514 S642 L647 M648 R649	D514-V645 VanDerWaalsContact C-CG2 3.43Å; D514-V645 VanDerWaalsContact O-CG2 3.31Å; D514-V645 WeakPolarHBondContact O-CG2 3.22Å; S642-V645 PolarHBondContact O-N 2.84Å; V645-L647 VanDerWaalsContact C-N 3.29Å; V645-L647 PolarHBondContact O-N 3.44Å; V645-M648 HydrophobicContact CB-CE 4.26Å; V645-M648 HydrophobicContact CG2-CE 3.93Å; V645-M648 PolarHBondContact O-N 2.99Å; V645-R649 HydrophobicContact CG1-CG 4.5Å; V645-R649 WeakPolarHBondContact O-CG 3.32Å; V645-R649 PolarHBondContact O-N 3.46Å
646	P	94.4	Very high	85.4	Confident	58 Å²	58	74.4 Å²	74.4	38%	0.377	38%	0.376	S	S	.	.	H	α-helix	trans	-58.3	-35.8	174.5	-27.3	36.2	0	0	0	114.2	S642 I644 R649 Q650	S642-P646 VanDerWaalsContact O-CD 3.3Å; S642-P646 WeakPolarHBondContact O-CD 3.38Å; I644-P646 VanDerWaalsContact C-CD 3.45Å; P646-R649 PolarHBondContact O-N 3.27Å; P646-Q650 VanDerWaalsContact O-CG 3.29Å; P646-Q650 WeakPolarHBondContact O-CG 3.35Å; P646-Q650 PolarHBondContact O-N 2.98Å
647	L	92.8	Very high	84.7	Confident	6 Å²	6	73.1 Å²	73.1	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-64.8	-47.8	-177.6	-58.1	170.5	0	0	0	110.8	I469 T473 M475 Q479 I644 V645 R649 Q650 N651	I469-L647 HydrophobicContact CD1-CB 3.82Å; I469-L647 HydrophobicContact CD1-CD1 4.44Å; I469-L647 HydrophobicContact CG1-CB 4.28Å; I469-L647 HydrophobicContact CG2-CB 4.04Å; I469-L647 HydrophobicContact CG2-CD1 4.06Å; I469-L647 HydrophobicContact CG2-CG 4.44Å; T473-L647 HydrophobicContact CG2-CD2 3.79Å; M475-L647 HydrophobicContact CE-CD1 4.17Å; M475-L647 HydrophobicContact CG-CD1 4.01Å; Q479-L647 HydrophobicContact CB-CD1 4.32Å; Q479-L647 HydrophobicContact CG-CD1 4.19Å; I644-L647 HydrophobicContact CD1-CD1 4.49Å; I644-L647 HydrophobicContact CG2-CD1 4.47Å; I644-L647 VanDerWaalsContact O-CB 3.31Å; I644-L647 WeakPolarHBondContact O-CB 3.43Å; I644-L647 PolarHBondContact O-N 3.28Å; V645-L647 VanDerWaalsContact C-N 3.29Å; V645-L647 PolarHBondContact O-N 3.44Å; L647-R649 VanDerWaalsContact C-N 3.32Å; L647-R649 PolarHBondContact O-N 3.43Å; L647-Q650 PolarHBondContact O-N 2.63Å; L647-N651 PolarHBondContact O-N 3.05Å
648	M	90.5	Very high	83.9	Confident	15 Å²	15	73.1 Å²	73.1	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-61.5	-39.5	177.7	-61.3	-176.7	-71	0	0	111.9	G463 I469 L511 T512 V645 R652	G463-M648 WeakPolarHBondContact CA-SD 3.46Å; I469-M648 HydrophobicContact CD1-CG 4.08Å; L511-M648 HydrophobicContact CB-SD 3.77Å; L511-M648 HydrophobicContact CD1-CG 4.09Å; L511-M648 HydrophobicContact CD1-SD 4.04Å; T512-M648 VanDerWaalsContact O-CE 3.3Å; T512-M648 WeakPolarHBondContact O-CE 3.48Å; V645-M648 HydrophobicContact CB-CE 4.26Å; V645-M648 HydrophobicContact CG2-CE 3.93Å; V645-M648 PolarHBondContact O-N 2.99Å; M648-R652 WeakPolarHBondContact O-CG 3.34Å; M648-R652 PolarHBondContact O-N 3.29Å; M648-R652 VanDerWaalsContact O-N 3.16Å
649	R	82.9	Confident	83	Confident	177 Å²	177	75.8 Å²	75.8	67%	0.668	37%	0.368	S	S	*	.	H	α-helix	trans	-68.6	-39.7	178.4	-68.9	-179.1	-176	-170.6	2.7	112.7	V645 P646 L647 N651 M653	V645-R649 HydrophobicContact CG1-CG 4.5Å; V645-R649 WeakPolarHBondContact O-CG 3.32Å; V645-R649 PolarHBondContact O-N 3.46Å; P646-R649 PolarHBondContact O-N 3.27Å; L647-R649 VanDerWaalsContact C-N 3.32Å; L647-R649 PolarHBondContact O-N 3.43Å; R649-N651 VanDerWaalsContact C-N 3.31Å; R649-N651 PolarHBondContact O-N 3.02Å; R649-M653 WeakPolarHBondContact O-CG 3.35Å
650	Q	73.4	Confident	82	Confident	101 Å²	101	79.6 Å²	79.6	47%	0.472	38%	0.38	S	S	.	.	H	α-helix	trans	-67.5	-30.4	-179.2	-74.3	174.5	19.9	0	0	112.9	P646 L647	P646-Q650 VanDerWaalsContact O-CG 3.29Å; P646-Q650 WeakPolarHBondContact O-CG 3.35Å; P646-Q650 PolarHBondContact O-N 2.98Å; L647-Q650 PolarHBondContact O-N 2.63Å
651	N	64.1	Low	80.8	Confident	22 Å²	22	79.8 Å²	79.8	12%	0.118	37%	0.371	C	S	.	.	H	α-helix	trans	-88.2	-30.5	179.6	-62.4	-12.1	0	0	0	113.1	D468 I469 T473 L647 R649 M653 R654	D468-N651 PolarHBondContact O-ND2 2.73Å; I469-N651 WeakPolarHBondContact CA-ND2 3.44Å; T473-N651 PolarHBondContact OG1-OD1 3.34Å; L647-N651 PolarHBondContact O-N 3.05Å; R649-N651 VanDerWaalsContact C-N 3.31Å; R649-N651 PolarHBondContact O-N 3.02Å; N651-M653 PolarHBondContact O-N 2.69Å; N651-R654 PolarHBondContact O-N 3.47Å
652	R	62.3	Low	79.6	Confident	183 Å²	183	81.8 Å²	81.8	69%	0.691	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-9.2	169.5	-78.8	-175.6	172.7	-157.6	3.1	114.4	E462 M648	E462-R652 PolarHBondContact O-NH2 2.81Å; M648-R652 WeakPolarHBondContact O-CG 3.34Å; M648-R652 PolarHBondContact O-N 3.29Å; M648-R652 VanDerWaalsContact O-N 3.16Å
653	M	48	Very low	78.1	Confident	169 Å²	169	82.3 Å²	82.3	83%	0.833	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	12.3	-178.4	-70.3	-89	-71.3	0	0	112.7	R649 N651	R649-M653 WeakPolarHBondContact O-CG 3.35Å; N651-M653 PolarHBondContact O-N 2.69Å
654	R	38	Very low	76.3	Confident	222 Å²	222	88.5 Å²	88.5	84%	0.838	38%	0.384	S	S	*	.			trans	-131.1	0	-177	-76.6	179.4	167.2	163.4	-1.9	111.4	N651	N651-R654 PolarHBondContact O-N 3.47Å

Retrieved 654 of 654 residues in 756.6 ms (Link to these results)

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