A0A093HJL2_STRCA Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A093HJL2, Species STRCA (Struthio camelus australis), Gene n/a, Length 667 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	43	Very low	54.6	Low	231 Å²	231	202.5 Å²	202.5	100%	1.138	90%	0.895	S	S	*	*				0	136.1	0	-62.8	177	-177.2	0	0	108.7
2	F	41.6	Very low	55.3	Low	205 Å²	205	198.6 Å²	198.6	90%	0.899	89%	0.886	S	S	*	*			trans	-136.3	97.8	178.6	-68.6	-71.1	0	0	0	112.5	K4	F2-K4 PolarHBondContact O-N 3.34Å
3	R	44.9	Very low	56.7	Low	255 Å²	255	191.2 Å²	191.2	96%	0.962	87%	0.873	S	S	*	*			trans	-78.1	107.4	169.6	-81.9	-177.6	167.4	-178.7	-3.9	109.7	K5	R3-K5 PolarHBondContact O-N 2.77Å
4	K	50.9	Low	56.9	Low	203 Å²	203	183.2 Å²	183.2	88%	0.883	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-62.8	116.6	170.5	-68.5	-176.8	179.2	178.9	0	109.5	F2 K6	F2-K4 PolarHBondContact O-N 3.34Å; K4-K6 PolarHBondContact O-N 2.67Å
5	K	54.7	Low	57.6	Low	205 Å²	205	179.6 Å²	179.6	89%	0.891	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-63.4	126.2	172.9	-72.2	-177.8	177.2	178.6	0	109.2	R3 K7	R3-K5 PolarHBondContact O-N 2.77Å; K5-K7 PolarHBondContact O-N 3.36Å
6	K	56.1	Low	58.5	Low	204 Å²	204	179.1 Å²	179.1	89%	0.887	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-65.1	127.7	170.7	-67.6	-174.4	179.4	-178	0	108.7	K4	K4-K6 PolarHBondContact O-N 2.67Å
7	K	61.3	Low	58.9	Low	204 Å²	204	178.1 Å²	178.1	89%	0.887	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-65.1	136.7	167.5	-67.5	-174.5	176.4	-175.3	0	108.3	K5	K5-K7 PolarHBondContact O-N 3.36Å
8	K	65.1	Low	59.1	Low	194 Å²	194	178.4 Å²	178.4	84%	0.843	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-61.9	148.4	170.2	-80.1	-168.7	171.6	-168.6	0	109.4
9	R	59.7	Low	59.5	Low	233 Å²	233	175.3 Å²	175.3	88%	0.879	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-64.2	145.1	163.5	-92.2	-179.3	165.3	166.8	-5.6	108.8
10	P	58.9	Low	59.5	Low	108 Å²	108	172.5 Å²	172.5	70%	0.701	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-66.7	136.8	164.7	30	-33.1	0	0	0	109.1
11	E	64.6	Low	59.5	Low	186 Å²	186	173.8 Å²	173.8	87%	0.869	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-86.8	124	169.1	-73.9	163.9	-170.7	0	0	107.6
12	I	62.2	Low	60.6	Low	155 Å²	155	166.4 Å²	166.4	80%	0.795	79%	0.786	S	S	*	*			trans	-107.2	123.9	-179.1	-58.1	173.9	0	0	0	106.8
13	S	73.9	Confident	62.1	Low	102 Å²	102	162.6 Å²	162.6	71%	0.713	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-69.7	163.4	177.9	49.8	0	0	0	0	112.1
14	A	60.1	Low	63.8	Low	80 Å²	80	153.3 Å²	153.3	66%	0.661	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-61.1	142.5	166.4	0	0	0	0	0	110.1	Q16	A14-Q16 PolarHBondContact O-N 3.41Å
15	P	66.4	Low	64.7	Low	129 Å²	129	146 Å²	146	84%	0.838	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-64	135.6	-179.9	26.9	-34.5	0	0	0	110.9
16	Q	72.6	Confident	65.8	Low	171 Å²	171	141.2 Å²	141.2	80%	0.799	70%	0.697	S	S	*	*			trans	-109.9	162.3	172.5	-65.8	178.8	-13.1	0	0	109.1	A14	A14-Q16 PolarHBondContact O-N 3.41Å
17	N	66	Low	66.9	Low	163 Å²	163	134.2 Å²	134.2	87%	0.872	67%	0.669	S	S	*	*			trans	59.7	58.5	-178.8	-53.2	-18	0	0	0	114	E19	N17-E19 PolarHBondContact O-N 2.88Å
18	F	60.8	Low	67.1	Low	183 Å²	183	129.6 Å²	129.6	80%	0.803	66%	0.66	S	S	*	*			trans	-71.1	118.3	171.3	-179.5	-94.2	0	0	0	111.2	H20	F18-H20 HydrophobicContact CE1-CB 4.01Å
19	E	67.6	Low	67.5	Low	120 Å²	120	129.8 Å²	129.8	56%	0.561	66%	0.661	S	S	*	*			trans	-103.7	120.4	175	-173.1	-176.1	-163.5	0	0	110.4	N17 R21	N17-E19 PolarHBondContact O-N 2.88Å; E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 HydrophobicContact CB-CG 4.35Å; E19-R21 HydrophobicContact CG-CG 3.91Å; E19-R21 PolarHBondContact O-N 2.86Å; E19-R21 IonicContact OE2-CZ 3.14Å; E19-R21 IonicContact OE2-NE 2.71Å; E19-R21 PolarHBondContact OE2-NE 2.86Å; E19-R21 IonicContact OE2-NH2 2.7Å; E19-R21 PolarHBondContact OE2-NH2 2.83Å
20	H	59.9	Low	68.1	Low	119 Å²	119	124.6 Å²	124.6	55%	0.551	65%	0.646	S	S	*	*			trans	-81.9	77	-178.7	-174	-117.9	0	0	0	111.5	F18 V22 H23	F18-H20 HydrophobicContact CE1-CB 4.01Å; H20-V22 PolarHBondContact O-N 2.88Å; H20-H23 AromaticContact CE1-CG 3.97Å; H20-H23 AromaticContact CE1-ND1 3.68Å
21	R	59.4	Low	68.8	Low	199 Å²	199	121.8 Å²	121.8	75%	0.751	64%	0.637	S	S	*	*			trans	-71	-21.6	-170.2	-69.3	-175.2	172.9	-156.4	-11.2	116.4	E19	E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 HydrophobicContact CB-CG 4.35Å; E19-R21 HydrophobicContact CG-CG 3.91Å; E19-R21 PolarHBondContact O-N 2.86Å; E19-R21 IonicContact OE2-CZ 3.14Å; E19-R21 IonicContact OE2-NE 2.71Å; E19-R21 PolarHBondContact OE2-NE 2.86Å; E19-R21 IonicContact OE2-NH2 2.7Å; E19-R21 PolarHBondContact OE2-NH2 2.83Å
22	V	66.8	Low	69.4	Low	77 Å²	77	118.6 Å²	118.6	47%	0.467	62%	0.62	S	S	.	*			trans	-142.3	122.4	-177.3	-176.4	0	0	0	0	109.1	H20 G35 P37	H20-V22 PolarHBondContact O-N 2.88Å; V22-G35 WeakPolarHBondContact CG1-O 3.29Å; V22-P37 HydrophobicContact CG1-CG 4.35Å
23	H	73	Confident	70.2	Confident	124 Å²	124	116.3 Å²	116.3	57%	0.574	61%	0.605	S	S	*	*			trans	-113.3	111.5	169.3	-175.8	61.4	0	0	0	109.1	H20 G35	H20-H23 AromaticContact CE1-CG 3.97Å; H20-H23 AromaticContact CE1-ND1 3.68Å; H23-G35 WeakPolarHBondContact O-CA 3.44Å
24	T	80.1	Confident	70.4	Confident	60 Å²	60	114.7 Å²	114.7	37%	0.368	59%	0.59	S	S	.	*			trans	-96.2	127.8	174.2	-50.7	0	0	0	0	110.1	F33 V34 G35 L36	T24-F33 HydrophobicContact CG2-CB 4.47Å; T24-F33 HydrophobicContact CG2-CD1 4.47Å; T24-V34 WeakPolarHBondContact CA-O 3.37Å; T24-G35 WeakPolarHBondContact CA-O 3.39Å; T24-G35 PolarHBondContact OG1-O 3.22Å; T24-L36 HydrophobicContact CG2-CD2 3.63Å; T24-L36 HydrophobicContact CG2-CG 3.83Å
25	S	70.4	Confident	71.1	Confident	50 Å²	50	112.9 Å²	112.9	35%	0.35	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.3	172.1	172.5	63.7	0	0	0	0	110.6	F33 V34	S25-F33 CarbonylContact O-C 3.33Å; S25-F33 VanDerWaalsContact O-CA 3.32Å; S25-F33 WeakPolarHBondContact O-CA 3.45Å; S25-V34 PolarHBondContact N-O 3.42Å; S25-V34 PolarHBondContact O-N 2.98Å; S25-V34 WeakPolarHBondContact OG-CG2 3.32Å
26	F	76.3	Confident	71.6	Confident	105 Å²	105	108.2 Å²	108.2	46%	0.461	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.4	177.7	-179.8	-102	0	0	0	109.2	P28 K32 F33	F26-P28 HydrophobicContact CE1-CB 4.3Å; F26-P28 WeakPolarHBondContact O-CD 3.44Å; F26-K32 WeakPolarHBondContact CD2-O 3.26Å; F26-F33 HydrophobicContact CB-CD1 3.96Å; F26-F33 HydrophobicContact CB-CE1 3.89Å; F26-F33 AromaticContact CD2-CD1 3.95Å; F26-F33 HydrophobicContact CD2-CD1 3.95Å; F26-F33 HydrophobicContact CD2-CD2 4.04Å; F26-F33 AromaticContact CD2-CE1 3.82Å; F26-F33 HydrophobicContact CD2-CE1 3.82Å; F26-F33 AromaticContact CD2-CE2 3.91Å; F26-F33 HydrophobicContact CD2-CE2 3.91Å; F26-F33 HydrophobicContact CD2-CG 4.06Å; F26-F33 AromaticContact CD2-CZ 3.79Å; F26-F33 HydrophobicContact CD2-CZ 3.79Å; F26-F33 HydrophobicContact CE2-CE2 4.27Å; F26-F33 HydrophobicContact CE2-CZ 4.43Å; F26-F33 HydrophobicContact CG-CD1 4.45Å; F26-F33 HydrophobicContact CG-CE1 4.25Å
27	D	79	Confident	71.7	Confident	56 Å²	56	102 Å²	102	30%	0.299	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	111.6	172.4	-169	-40.3	0	0	0	109.3	K29 E30 G31 K32 V34	D27-K29 VanDerWaalsContact C-N 3.26Å; D27-K29 PolarHBondContact O-N 2.88Å; D27-K29 WeakPolarHBondContact OD1-CA 3.41Å; D27-K29 VanDerWaalsContact OD1-CB 3.29Å; D27-K29 WeakPolarHBondContact OD1-CB 3.36Å; D27-K29 PolarHBondContact OD1-N 3.15Å; D27-E30 PolarHBondContact OD1-N 3.28Å; D27-G31 WeakPolarHBondContact O-CA 3.43Å; D27-G31 PolarHBondContact O-N 2.97Å; D27-K32 PolarHBondContact N-O 3.23Å; D27-K32 PolarHBondContact O-N 3.41Å; D27-V34 HydrophobicContact CB-CG2 4.42Å
28	P	66	Low	71.8	Confident	108 Å²	108	99.2 Å²	99.2	70%	0.701	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-10.3	-178.8	33.1	-36.8	0	0	0	113.9	F26	F26-P28 HydrophobicContact CE1-CB 4.3Å; F26-P28 WeakPolarHBondContact O-CD 3.44Å
29	K	72.8	Confident	72.1	Confident	198 Å²	198	97.9 Å²	97.9	86%	0.861	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-42.1	175.1	-60.8	-179.7	178.6	178.4	0	111.5	D27	D27-K29 VanDerWaalsContact C-N 3.26Å; D27-K29 PolarHBondContact O-N 2.88Å; D27-K29 WeakPolarHBondContact OD1-CA 3.41Å; D27-K29 VanDerWaalsContact OD1-CB 3.29Å; D27-K29 WeakPolarHBondContact OD1-CB 3.36Å; D27-K29 PolarHBondContact OD1-N 3.15Å
30	E	73.9	Confident	72	Confident	124 Å²	124	99.9 Å²	99.9	58%	0.579	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-16.9	175.7	-72.5	-148.1	-170.4	0	0	113.9	D27 K32	D27-E30 PolarHBondContact OD1-N 3.28Å; E30-K32 VanDerWaalsContact C-N 3.31Å; E30-K32 HydrophobicContact CB-CD 4.23Å; E30-K32 HydrophobicContact CB-CG 4.35Å; E30-K32 WeakPolarHBondContact OE2-CE 3.44Å; E30-K32 IonicContact OE2-NZ 2.67Å; E30-K32 PolarHBondContact OE2-NZ 3.32Å
31	G	73.6	Confident	72.4	Confident	49 Å²	49	99.3 Å²	99.3	51%	0.505	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	24.2	-177.5	0	0	0	0	0	113.7	D27	D27-G31 WeakPolarHBondContact O-CA 3.43Å; D27-G31 PolarHBondContact O-N 2.97Å
32	K	77.1	Confident	72.4	Confident	118 Å²	118	95.3 Å²	95.3	51%	0.513	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	156.4	-172.9	-63.6	172	-163.8	160.3	0	111.5	F26 D27 E30	F26-K32 WeakPolarHBondContact CD2-O 3.26Å; D27-K32 PolarHBondContact N-O 3.23Å; D27-K32 PolarHBondContact O-N 3.41Å; E30-K32 VanDerWaalsContact C-N 3.31Å; E30-K32 HydrophobicContact CB-CD 4.23Å; E30-K32 HydrophobicContact CB-CG 4.35Å; E30-K32 WeakPolarHBondContact OE2-CE 3.44Å; E30-K32 IonicContact OE2-NZ 2.67Å; E30-K32 PolarHBondContact OE2-NZ 3.32Å
33	F	78.5	Confident	72.4	Confident	107 Å²	107	96.4 Å²	96.4	47%	0.469	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.7	166.6	-67.8	-85.8	0	0	0	110.2	T24 S25 F26 L36 L44	T24-F33 HydrophobicContact CG2-CB 4.47Å; T24-F33 HydrophobicContact CG2-CD1 4.47Å; S25-F33 CarbonylContact O-C 3.33Å; S25-F33 VanDerWaalsContact O-CA 3.32Å; S25-F33 WeakPolarHBondContact O-CA 3.45Å; F26-F33 HydrophobicContact CB-CD1 3.96Å; F26-F33 HydrophobicContact CB-CE1 3.89Å; F26-F33 AromaticContact CD2-CD1 3.95Å; F26-F33 HydrophobicContact CD2-CD1 3.95Å; F26-F33 HydrophobicContact CD2-CD2 4.04Å; F26-F33 AromaticContact CD2-CE1 3.82Å; F26-F33 HydrophobicContact CD2-CE1 3.82Å; F26-F33 AromaticContact CD2-CE2 3.91Å; F26-F33 HydrophobicContact CD2-CE2 3.91Å; F26-F33 HydrophobicContact CD2-CG 4.06Å; F26-F33 AromaticContact CD2-CZ 3.79Å; F26-F33 HydrophobicContact CD2-CZ 3.79Å; F26-F33 HydrophobicContact CE2-CE2 4.27Å; F26-F33 HydrophobicContact CE2-CZ 4.43Å; F26-F33 HydrophobicContact CG-CD1 4.45Å; F26-F33 HydrophobicContact CG-CE1 4.25Å; F33-L36 HydrophobicContact CB-CD1 3.57Å; F33-L36 HydrophobicContact CB-CG 3.87Å; F33-L36 HydrophobicContact CG-CD1 4.45Å; F33-L44 HydrophobicContact CD2-CD1 3.91Å
34	V	77.3	Confident	71.9	Confident	68 Å²	68	94.5 Å²	94.5	41%	0.412	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	146.4	176.3	-81.4	0	0	0	0	109.8	T24 S25 D27	T24-V34 WeakPolarHBondContact CA-O 3.37Å; S25-V34 PolarHBondContact N-O 3.42Å; S25-V34 PolarHBondContact O-N 2.98Å; S25-V34 WeakPolarHBondContact OG-CG2 3.32Å; D27-V34 HydrophobicContact CB-CG2 4.42Å
35	G	76	Confident	71	Confident	43 Å²	43	97.5 Å²	97.5	44%	0.443	51%	0.512	S	S	.	.	S	Bend	trans	69.3	29.5	-175.3	0	0	0	0	0	114.3	V22 H23 T24	V22-G35 WeakPolarHBondContact CG1-O 3.29Å; H23-G35 WeakPolarHBondContact O-CA 3.44Å; T24-G35 WeakPolarHBondContact CA-O 3.39Å; T24-G35 PolarHBondContact OG1-O 3.22Å
36	L	76.3	Confident	70.3	Confident	31 Å²	31	100.3 Å²	100.3	16%	0.162	53%	0.527	C	S	.	.			trans	-73.9	147	165.8	-82.8	172.2	0	0	0	111.1	T24 F33 W40 L44	T24-L36 HydrophobicContact CG2-CD2 3.63Å; T24-L36 HydrophobicContact CG2-CG 3.83Å; F33-L36 HydrophobicContact CB-CD1 3.57Å; F33-L36 HydrophobicContact CB-CG 3.87Å; F33-L36 HydrophobicContact CG-CD1 4.45Å; L36-W40 HydrophobicContact CD2-CB 4.07Å; L36-W40 HydrophobicContact CD2-CE3 4.4Å; L36-L44 HydrophobicContact CD1-CD1 3.51Å
37	P	74.4	Confident	69.3	Low	40 Å²	40	100.2 Å²	100.2	26%	0.26	53%	0.531	S	S	.	.			trans	-60	138	162.1	-19.3	31.8	0	0	0	110.4	V22 Q39 W40	V22-P37 HydrophobicContact CG1-CG 4.35Å; P37-Q39 PolarHBondContact O-N 3.42Å; P37-W40 HydrophobicContact CG-CG 4.48Å; P37-W40 WeakPolarHBondContact O-CB 3.42Å; P37-W40 PolarHBondContact O-N 3.32Å
38	P	68.9	Low	68.1	Low	104 Å²	104	109.4 Å²	109.4	68%	0.675	56%	0.562	S	S	*	*	H	α-helix	trans	-55.2	-29.2	-175.7	-29.5	35.6	0	0	0	114.8	W40 Q41	P38-W40 PolarHBondContact O-N 3.4Å; P38-Q41 PolarHBondContact O-N 3.01Å
39	Q	66.5	Low	67.5	Low	156 Å²	156	114 Å²	114	73%	0.729	57%	0.565	S	S	*	*	H	α-helix	trans	-62.2	-28	176.2	-64.6	165.6	-5	0	0	113.3	P37	P37-Q39 PolarHBondContact O-N 3.42Å
40	W	65.6	Low	66.5	Low	162 Å²	162	110 Å²	110	61%	0.614	56%	0.559	S	S	*	*	H	α-helix	trans	-88.7	-24.8	-176.3	-70.9	50.1	0	0	0	112.3	L36 P37 P38 I43 L44	L36-W40 HydrophobicContact CD2-CB 4.07Å; L36-W40 HydrophobicContact CD2-CE3 4.4Å; P37-W40 HydrophobicContact CG-CG 4.48Å; P37-W40 WeakPolarHBondContact O-CB 3.42Å; P37-W40 PolarHBondContact O-N 3.32Å; P38-W40 PolarHBondContact O-N 3.4Å; W40-I43 WeakPolarHBondContact O-CB 3.39Å; W40-I43 PolarHBondContact O-N 3.09Å; W40-I43 VanDerWaalsContact O-N 3.14Å; W40-L44 PolarHBondContact O-N 3.2Å
41	Q	68.9	Low	65.5	Low	107 Å²	107	113.6 Å²	113.6	50%	0.5	57%	0.573	S	S	.	*	H	α-helix	trans	-64.4	-44.7	-177.4	-164.5	162.8	-9	0	0	111.5	P38 I43 L44 D45	P38-Q41 PolarHBondContact O-N 3.01Å; Q41-I43 PolarHBondContact O-N 3.14Å; Q41-I43 VanDerWaalsContact O-N 3.09Å; Q41-L44 PolarHBondContact O-N 3.47Å; Q41-D45 PolarHBondContact O-N 3.15Å
42	N	60	Low	64.4	Low	114 Å²	114	116.4 Å²	116.4	61%	0.61	58%	0.582	S	S	*	*	H	α-helix	trans	-57.2	-24.9	173.6	-70.7	-29.7	0	0	0	114.3	T46	N42-T46 WeakPolarHBondContact O-CG2 3.43Å; N42-T46 PolarHBondContact O-OG1 3.16Å
43	I	65.3	Low	63.1	Low	100 Å²	100	118 Å²	118	51%	0.513	60%	0.602	S	S	.	*	H	α-helix	trans	-79.8	-29.3	179.4	-56.7	176.7	0	0	0	110.9	W40 Q41 T46 L47	W40-I43 WeakPolarHBondContact O-CB 3.39Å; W40-I43 PolarHBondContact O-N 3.09Å; W40-I43 VanDerWaalsContact O-N 3.14Å; Q41-I43 PolarHBondContact O-N 3.14Å; Q41-I43 VanDerWaalsContact O-N 3.09Å; I43-T46 PolarHBondContact O-OG1 3.29Å; I43-L47 HydrophobicContact CG2-CD1 4.44Å; I43-L47 WeakPolarHBondContact O-CD1 3.2Å; I43-L47 WeakPolarHBondContact O-CG 3.48Å
44	L	63.9	Low	61.9	Low	85 Å²	85	118.5 Å²	118.5	45%	0.445	61%	0.613	S	S	.	*	H	α-helix	trans	-80	-44.8	177.9	-64.7	178.3	0	0	0	111.7	F33 L36 W40 Q41 T46 L47	F33-L44 HydrophobicContact CD2-CD1 3.91Å; L36-L44 HydrophobicContact CD1-CD1 3.51Å; W40-L44 PolarHBondContact O-N 3.2Å; Q41-L44 PolarHBondContact O-N 3.47Å; L44-T46 PolarHBondContact O-N 2.77Å; L44-L47 PolarHBondContact O-N 3.33Å; L44-L47 VanDerWaalsContact O-N 3.15Å
45	D	59.8	Low	60.4	Low	123 Å²	123	119.2 Å²	119.2	66%	0.658	62%	0.615	S	S	*	*	H	α-helix	trans	-65.7	-23.3	-177.4	-68.1	-35.8	0	0	0	113.4	Q41	Q41-D45 PolarHBondContact O-N 3.15Å
46	T	56.8	Low	59.1	Low	108 Å²	108	121.8 Å²	121.8	66%	0.663	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-13.7	177.9	46.5	0	0	0	0	114	N42 I43 L44 R48	N42-T46 WeakPolarHBondContact O-CG2 3.43Å; N42-T46 PolarHBondContact O-OG1 3.16Å; I43-T46 PolarHBondContact O-OG1 3.29Å; L44-T46 PolarHBondContact O-N 2.77Å; T46-R48 PolarHBondContact O-N 2.73Å
47	L	53.9	Low	57.9	Low	104 Å²	104	124.7 Å²	124.7	55%	0.545	65%	0.647	S	S	.	*			trans	-99	76.6	-175	-71.9	175.8	0	0	0	112.8	I43 L44 R49	I43-L47 HydrophobicContact CG2-CD1 4.44Å; I43-L47 WeakPolarHBondContact O-CD1 3.2Å; I43-L47 WeakPolarHBondContact O-CG 3.48Å; L44-L47 PolarHBondContact O-N 3.33Å; L44-L47 VanDerWaalsContact O-N 3.15Å; L47-R49 PolarHBondContact O-N 2.8Å
48	R	54.5	Low	56.8	Low	249 Å²	249	132.7 Å²	132.7	94%	0.94	67%	0.672	S	S	*	*			trans	-69.2	61.7	164.2	-72.5	-169.3	176.5	-168.4	0.3	112.2	T46	T46-R48 PolarHBondContact O-N 2.73Å
49	R	54.6	Low	56	Low	205 Å²	205	134 Å²	134	77%	0.774	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-72.8	137.8	174	-173.6	177.7	-73.7	-163.2	-2.4	109.7	L47	L47-R49 PolarHBondContact O-N 2.8Å
50	P	50.3	Low	54.9	Low	114 Å²	114	132.1 Å²	132.1	74%	0.74	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-55.6	146.3	172.2	-26	35.2	0	0	0	112.2
51	K	52.4	Low	53.9	Low	198 Å²	198	136.2 Å²	136.2	86%	0.861	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-61.8	143.1	175.5	-68.2	-175.3	178.4	-177.8	0	110.2
52	P	51.4	Low	52.5	Low	108 Å²	108	138.4 Å²	138.4	70%	0.701	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-62.6	150.3	173.8	28.2	-34.9	0	0	0	110.9	V54	P52-V54 PolarHBondContact O-N 2.88Å; P52-V54 VanDerWaalsContact O-N 3.15Å
53	V	50.6	Low	51.7	Low	153 Å²	153	141.8 Å²	141.8	93%	0.927	71%	0.713	S	S	*	*	S	Bend	trans	-73.3	-2.5	-175.3	-175.4	0	0	0	0	112.8
54	V	52	Low	50.6	Low	117 Å²	117	145.1 Å²	145.1	71%	0.709	73%	0.731	S	S	*	*	S	Bend	trans	-117.1	130.3	-177	-174.7	0	0	0	0	110.4	P52	P52-V54 PolarHBondContact O-N 2.88Å; P52-V54 VanDerWaalsContact O-N 3.15Å
55	D	45.7	Very low	49.6	Very low	82 Å²	82	149.3 Å²	149.3	44%	0.439	75%	0.748	S	S	.	*			trans	-73.4	119.1	-178.9	176.5	0.9	0	0	0	111.9	S57 R58	D55-S57 PolarHBondContact O-N 2.71Å; D55-S57 VanDerWaalsContact OD1-CB 3.26Å; D55-S57 WeakPolarHBondContact OD1-CB 3.34Å; D55-S57 PolarHBondContact OD1-N 3.42Å; D55-S57 PolarHBondContact OD1-OG 2.98Å; D55-S57 PolarHBondContact OD2-OG 3.37Å; D55-R58 PolarHBondContact O-N 2.99Å
56	P	48.8	Very low	48.9	Very low	98 Å²	98	149.1 Å²	149.1	64%	0.636	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-71.1	-8.2	-179	31	-36.3	0	0	0	114.2	R58 I59	P56-R58 PolarHBondContact O-N 2.7Å; P56-I59 HydrophobicContact CB-CD1 4.48Å; P56-I59 WeakPolarHBondContact O-CD1 3.37Å; P56-I59 WeakPolarHBondContact O-CG1 3.49Å
57	S	51.3	Low	48.4	Very low	92 Å²	92	153 Å²	153	64%	0.643	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-68.5	-14.3	174.6	74.3	0	0	0	0	113.5	D55	D55-S57 PolarHBondContact O-N 2.71Å; D55-S57 VanDerWaalsContact OD1-CB 3.26Å; D55-S57 WeakPolarHBondContact OD1-CB 3.34Å; D55-S57 PolarHBondContact OD1-N 3.42Å; D55-S57 PolarHBondContact OD1-OG 2.98Å; D55-S57 PolarHBondContact OD2-OG 3.37Å
58	R	51.6	Low	47.6	Very low	208 Å²	208	157.1 Å²	157.1	79%	0.785	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-96.1	18.7	-175.5	-60.3	-171.2	176.6	-146.1	-2.5	114.8	D55 P56 T60	D55-R58 PolarHBondContact O-N 2.99Å; P56-R58 PolarHBondContact O-N 2.7Å; R58-T60 PolarHBondContact O-N 3.3Å
59	I	51.8	Low	47.2	Very low	130 Å²	130	151.6 Å²	151.6	67%	0.667	77%	0.774	S	S	*	*			trans	-73.6	116.6	179.1	-64.1	168.8	0	0	0	110.2	P56	P56-I59 HydrophobicContact CB-CD1 4.48Å; P56-I59 WeakPolarHBondContact O-CD1 3.37Å; P56-I59 WeakPolarHBondContact O-CG1 3.49Å
60	T	44.4	Very low	46.3	Very low	118 Å²	118	147.9 Å²	147.9	72%	0.724	77%	0.774	S	S	*	*			trans	-56.2	137	174.9	-46	0	0	0	0	111.3	R58 L62	R58-T60 PolarHBondContact O-N 3.3Å; T60-L62 PolarHBondContact O-N 3.36Å
61	R	44.4	Very low	45.9	Very low	247 Å²	247	148.6 Å²	148.6	93%	0.932	78%	0.776	S	S	*	*			trans	-60.5	106.5	174.3	-78.9	-174.5	173	-175.5	-1.7	110.7	Q63	R61-Q63 PolarHBondContact O-N 3.05Å
62	L	39.4	Very low	45	Very low	154 Å²	154	150.2 Å²	150.2	81%	0.806	78%	0.777	S	S	*	*			trans	-74	117.9	172.3	-67.6	173.8	0	0	0	110.2	T60	T60-L62 PolarHBondContact O-N 3.36Å
63	Q	42	Very low	44.3	Very low	184 Å²	184	148.4 Å²	148.4	86%	0.86	78%	0.777	S	S	*	*			trans	-85	113	171	-169.1	172	10.2	0	0	109.1	R61 Q65	R61-Q63 PolarHBondContact O-N 3.05Å; Q63-Q65 PolarHBondContact O-N 2.59Å; Q63-Q65 VanDerWaalsContact O-N 3.16Å
64	L	43.7	Very low	43.8	Very low	170 Å²	170	146.1 Å²	146.1	89%	0.89	77%	0.768	S	S	*	*			trans	-64.7	112.9	-179	-67.8	170.2	0	0	0	110.6
65	Q	41.7	Very low	43.3	Very low	174 Å²	174	147.3 Å²	147.3	81%	0.813	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-81.9	159.5	170	-73.6	-160.1	1.9	0	0	111.7	Q63	Q63-Q65 PolarHBondContact O-N 2.59Å; Q63-Q65 VanDerWaalsContact O-N 3.16Å
66	P	46.4	Very low	42.9	Very low	118 Å²	118	148.9 Å²	148.9	77%	0.766	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-57.8	141.7	-179.5	-25.1	35.2	0	0	0	113.4	K68	P66-K68 PolarHBondContact O-N 2.89Å
67	M	44.3	Very low	42.6	Very low	189 Å²	189	152 Å²	152	93%	0.931	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-62.4	124.1	179	-63.8	179.4	105.8	0	0	111.1
68	K	39.1	Very low	42.6	Very low	191 Å²	191	152.2 Å²	152.2	83%	0.83	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-77.9	126.5	169.3	-70.3	-178.1	178.8	176.6	0	109.9	P66 V70	P66-K68 PolarHBondContact O-N 2.89Å; K68-V70 PolarHBondContact O-N 3.44Å
69	T	44.5	Very low	42.3	Very low	134 Å²	134	149 Å²	149	82%	0.822	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-63.1	118.7	177.6	-44.3	0	0	0	0	110.9	V71	T69-V71 PolarHBondContact O-N 3.4Å; T69-V71 VanDerWaalsContact O-N 3.09Å
70	V	36.7	Very low	42	Very low	127 Å²	127	144.7 Å²	144.7	77%	0.77	77%	0.773	S	S	*	*			trans	-77	97.8	177.5	-179.7	0	0	0	0	109.7	K68 R72	K68-V70 PolarHBondContact O-N 3.44Å; V70-R72 PolarHBondContact O-N 3.26Å; V70-R72 VanDerWaalsContact O-N 3.07Å
71	V	41.9	Very low	42.6	Very low	128 Å²	128	143.6 Å²	143.6	78%	0.776	76%	0.756	S	S	*	*			trans	-68	103.4	166.4	-178.5	0	0	0	0	108.1	T69 G73	T69-V71 PolarHBondContact O-N 3.4Å; T69-V71 VanDerWaalsContact O-N 3.09Å; V71-G73 PolarHBondContact O-N 3.22Å
72	R	34	Very low	43.1	Very low	233 Å²	233	133 Å²	133	88%	0.879	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-63.1	119.9	164.3	-75.6	-176.4	176.1	171.6	0.3	107.5	V70 S74	V70-R72 PolarHBondContact O-N 3.26Å; V70-R72 VanDerWaalsContact O-N 3.07Å; R72-S74 PolarHBondContact O-N 3.43Å
73	G	35.7	Very low	43.7	Very low	69 Å²	69	128.9 Å²	128.9	71%	0.711	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-54.6	135.5	177	0	0	0	0	0	111.1	V71	V71-G73 PolarHBondContact O-N 3.22Å
74	S	39.4	Very low	44.5	Very low	106 Å²	106	121.9 Å²	121.9	74%	0.741	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-60.3	155.6	171.1	44.7	0	0	0	0	110.6	R72 V76	R72-S74 PolarHBondContact O-N 3.43Å; S74-V76 VanDerWaalsContact C-N 3.32Å; S74-V76 PolarHBondContact O-N 3.31Å
75	T	41.8	Very low	45	Very low	141 Å²	141	114.4 Å²	114.4	87%	0.865	64%	0.64	S	S	*	*			trans	-69.5	87.7	177.3	47.6	0	0	0	0	110.4	E77	T75-E77 PolarHBondContact O-N 2.94Å
76	V	37.8	Very low	45.5	Very low	115 Å²	115	109.6 Å²	109.6	70%	0.697	62%	0.619	S	S	*	*			trans	-61.9	131.1	173.1	-179.6	0	0	0	0	109.3	S74	S74-V76 VanDerWaalsContact C-N 3.32Å; S74-V76 PolarHBondContact O-N 3.31Å
77	E	41.8	Very low	45.7	Very low	163 Å²	163	108.5 Å²	108.5	76%	0.762	61%	0.607	S	S	*	*			trans	-65.4	150.2	-179	-61.3	-178	132.2	0	0	111.7	T75 E79 G80	T75-E77 PolarHBondContact O-N 2.94Å; E77-E79 PolarHBondContact O-N 3.34Å; E77-G80 PolarHBondContact O-N 3.49Å
78	V	51.3	Low	46.1	Very low	97 Å²	97	102.9 Å²	102.9	59%	0.588	58%	0.581	S	S	*	*	H	α-helix	trans	-57.6	-24	-168.6	179.9	0	0	0	0	113.1	Y81 I82	V78-Y81 PolarHBondContact O-N 2.79Å; V78-I82 PolarHBondContact O-N 2.98Å
79	E	45.3	Very low	46.7	Very low	142 Å²	142	94.2 Å²	94.2	66%	0.664	54%	0.543	S	S	*	.	H	α-helix	trans	-71.9	-36.5	179.4	-52.2	-138	112.3	0	0	112.7	E77 Y81 I82 S83 K597	E77-E79 PolarHBondContact O-N 3.34Å; E79-Y81 VanDerWaalsContact C-N 3.28Å; E79-Y81 PolarHBondContact O-N 3.49Å; E79-I82 PolarHBondContact O-N 2.94Å; E79-I82 VanDerWaalsContact O-N 3.1Å; E79-S83 PolarHBondContact O-N 3.3Å; E79-K597 IonicContact OE1-NZ 2.6Å; E79-K597 PolarHBondContact OE1-NZ 3.06Å
80	G	46.2	Very low	46.5	Very low	39 Å²	39	94.1 Å²	94.1	40%	0.402	53%	0.533	S	S	.	.	H	α-helix	trans	-63.5	-35.1	174.5	0	0	0	0	0	112.4	E77 I82 S83 G84	E77-G80 PolarHBondContact O-N 3.49Å; G80-I82 VanDerWaalsContact C-N 3.29Å; G80-I82 PolarHBondContact O-N 3.39Å; G80-S83 WeakPolarHBondContact O-CB 3.43Å; G80-S83 PolarHBondContact O-N 3.43Å; G80-S83 VanDerWaalsContact O-N 3.13Å; G80-G84 PolarHBondContact O-N 3.13Å; G80-G84 VanDerWaalsContact O-N 3.16Å
81	Y	56.6	Low	46.9	Very low	94 Å²	94	94.2 Å²	94.2	37%	0.369	52%	0.524	S	S	.	.	H	α-helix	trans	-64.3	-32.7	174.1	179.7	-123.6	0	0	0	112.7	V78 E79 S83 G84 I85 R561	V78-Y81 PolarHBondContact O-N 2.79Å; E79-Y81 VanDerWaalsContact C-N 3.28Å; E79-Y81 PolarHBondContact O-N 3.49Å; Y81-S83 VanDerWaalsContact C-N 3.28Å; Y81-S83 PolarHBondContact O-N 3.05Å; Y81-G84 PolarHBondContact O-N 2.82Å; Y81-I85 HydrophobicContact CD1-CD1 3.78Å; Y81-I85 HydrophobicContact CE1-CD1 3.33Å; Y81-I85 HydrophobicContact CE1-CG1 4.15Å; Y81-I85 HydrophobicContact CE2-CD1 4.24Å; Y81-I85 HydrophobicContact CE2-CG1 4.17Å; Y81-I85 HydrophobicContact CG-CD1 4.4Å; Y81-I85 WeakPolarHBondContact O-CG1 3.31Å; Y81-I85 PolarHBondContact O-N 3.47Å; Y81-R561 WeakPolarHBondContact OH-CG 3.4Å; Y81-R561 PolarHBondContact OH-NE 3.45Å
82	I	55.9	Low	46.8	Very low	24 Å²	24	91.7 Å²	91.7	12%	0.123	51%	0.505	C	S	.	.	H	α-helix	trans	-69.3	-28.2	175.6	-60.2	174.8	0	0	0	111.1	V78 E79 G80 I85 L86 V593 K597	V78-I82 PolarHBondContact O-N 2.98Å; E79-I82 PolarHBondContact O-N 2.94Å; E79-I82 VanDerWaalsContact O-N 3.1Å; G80-I82 VanDerWaalsContact C-N 3.29Å; G80-I82 PolarHBondContact O-N 3.39Å; I82-I85 CarbonylContact O-C 3.48Å; I82-I85 WeakPolarHBondContact O-CB 3.42Å; I82-I85 PolarHBondContact O-N 3.09Å; I82-L86 WeakPolarHBondContact O-CG 3.29Å; I82-L86 PolarHBondContact O-N 3.36Å; I82-V593 HydrophobicContact CG2-CG1 4.04Å; I82-K597 HydrophobicContact CD1-CD 3.81Å; I82-K597 HydrophobicContact CD1-CG 4.21Å
83	S	52	Low	46.8	Very low	68 Å²	68	82.9 Å²	82.9	48%	0.476	48%	0.479	S	S	.	.	H	α-helix	trans	-71	-38.5	171	-164.4	0	0	0	0	112.7	E79 G80 Y81 L86 N87	E79-S83 PolarHBondContact O-N 3.3Å; G80-S83 WeakPolarHBondContact O-CB 3.43Å; G80-S83 PolarHBondContact O-N 3.43Å; G80-S83 VanDerWaalsContact O-N 3.13Å; Y81-S83 VanDerWaalsContact C-N 3.28Å; Y81-S83 PolarHBondContact O-N 3.05Å; S83-L86 WeakPolarHBondContact O-CB 3.48Å; S83-L86 PolarHBondContact O-N 3.15Å; S83-L86 VanDerWaalsContact O-N 3.13Å; S83-N87 PolarHBondContact O-N 3.22Å
84	G	58.1	Low	46.6	Very low	37 Å²	37	83.5 Å²	83.5	38%	0.381	48%	0.478	S	S	.	.	H	α-helix	trans	-60.2	-45.5	168.3	0	0	0	0	0	112.1	G80 Y81 L86 N87 D88	G80-G84 PolarHBondContact O-N 3.13Å; G80-G84 VanDerWaalsContact O-N 3.16Å; Y81-G84 PolarHBondContact O-N 2.82Å; G84-L86 VanDerWaalsContact C-N 3.28Å; G84-L86 PolarHBondContact O-N 3.1Å; G84-N87 PolarHBondContact O-N 3.17Å; G84-D88 PolarHBondContact O-N 3.07Å
85	I	54.5	Low	46.6	Very low	14 Å²	14	80.9 Å²	80.9	7%	0.072	46%	0.455	C	S	.	.	H	α-helix	trans	-58.9	-35.7	171.3	-77.7	170.1	0	0	0	111.8	Y81 I82 D88 I89 V593	Y81-I85 HydrophobicContact CD1-CD1 3.78Å; Y81-I85 HydrophobicContact CE1-CD1 3.33Å; Y81-I85 HydrophobicContact CE1-CG1 4.15Å; Y81-I85 HydrophobicContact CE2-CD1 4.24Å; Y81-I85 HydrophobicContact CE2-CG1 4.17Å; Y81-I85 HydrophobicContact CG-CD1 4.4Å; Y81-I85 WeakPolarHBondContact O-CG1 3.31Å; Y81-I85 PolarHBondContact O-N 3.47Å; I82-I85 CarbonylContact O-C 3.48Å; I82-I85 WeakPolarHBondContact O-CB 3.42Å; I82-I85 PolarHBondContact O-N 3.09Å; I85-D88 PolarHBondContact O-N 3.4Å; I85-I89 HydrophobicContact CG2-CD1 3.35Å; I85-I89 HydrophobicContact CG2-CG1 4.02Å; I85-I89 WeakPolarHBondContact O-CA 3.15Å; I85-I89 WeakPolarHBondContact O-CB 3.17Å; I85-I89 WeakPolarHBondContact O-CG1 2.96Å; I85-I89 PolarHBondContact O-N 3.09Å; I85-V593 HydrophobicContact CG2-CG1 4.19Å
86	L	51.8	Low	46.2	Very low	73 Å²	73	77.3 Å²	77.3	38%	0.382	44%	0.436	S	S	.	.	H	α-helix	trans	-65.7	-36.5	176.2	-85.1	158	0	0	0	112.3	I82 S83 G84 Q90 V593	I82-L86 WeakPolarHBondContact O-CG 3.29Å; I82-L86 PolarHBondContact O-N 3.36Å; S83-L86 WeakPolarHBondContact O-CB 3.48Å; S83-L86 PolarHBondContact O-N 3.15Å; S83-L86 VanDerWaalsContact O-N 3.13Å; G84-L86 VanDerWaalsContact C-N 3.28Å; G84-L86 PolarHBondContact O-N 3.1Å; L86-Q90 WeakPolarHBondContact O-CB 3.47Å; L86-Q90 WeakPolarHBondContact O-CG 3.31Å; L86-Q90 PolarHBondContact O-N 3.38Å; L86-V593 HydrophobicContact CD2-CB 4.3Å; L86-V593 HydrophobicContact CD2-CG1 4.26Å; L86-V593 HydrophobicContact CD2-CG2 3.77Å; L86-V593 HydrophobicContact CG-CG1 4.24Å; L86-V593 HydrophobicContact CG-CG2 4.45Å
87	N	50.8	Low	45.8	Very low	94 Å²	94	75.4 Å²	75.4	50%	0.503	43%	0.428	S	S	.	.	H	α-helix	trans	-72.4	-39.2	174.2	-84.3	-44.7	0	0	0	113.1	S83 G84 K91	S83-N87 PolarHBondContact O-N 3.22Å; G84-N87 PolarHBondContact O-N 3.17Å; N87-K91 WeakPolarHBondContact O-CG 3.35Å
88	D	53.3	Low	45.7	Very low	71 Å²	71	70.4 Å²	70.4	38%	0.38	41%	0.406	S	S	.	.	H	α-helix	trans	-64.8	-43.3	171.3	-82.7	-1.5	0	0	0	110.6	G84 I85 K91 L92 R561	G84-D88 PolarHBondContact O-N 3.07Å; I85-D88 PolarHBondContact O-N 3.4Å; D88-K91 WeakPolarHBondContact O-CB 3.38Å; D88-K91 PolarHBondContact O-N 3.16Å; D88-L92 WeakPolarHBondContact O-CG 3.27Å; D88-L92 PolarHBondContact O-N 2.68Å; D88-L92 VanDerWaalsContact O-N 3.15Å; D88-R561 IonicContact OD2-NH2 3.89Å
89	I	50.3	Low	44.9	Very low	9 Å²	9	68.6 Å²	68.6	5%	0.046	40%	0.396	C	S	.	.	H	α-helix	trans	-73.8	-33.1	-178.7	-69.8	175.6	0	0	0	111.9	I85 K91 L92 S93 V593 M596	I85-I89 HydrophobicContact CG2-CD1 3.35Å; I85-I89 HydrophobicContact CG2-CG1 4.02Å; I85-I89 WeakPolarHBondContact O-CA 3.15Å; I85-I89 WeakPolarHBondContact O-CB 3.17Å; I85-I89 WeakPolarHBondContact O-CG1 2.96Å; I85-I89 PolarHBondContact O-N 3.09Å; I89-K91 PolarHBondContact O-N 2.93Å; I89-K91 VanDerWaalsContact O-N 3.15Å; I89-L92 HydrophobicContact CG1-CD1 4.45Å; I89-L92 CarbonylContact O-C 3.46Å; I89-L92 WeakPolarHBondContact O-CA 3.41Å; I89-L92 PolarHBondContact O-N 2.86Å; I89-S93 WeakPolarHBondContact O-CA 3.2Å; I89-S93 WeakPolarHBondContact O-CB 3.49Å; I89-S93 PolarHBondContact O-N 2.74Å; I89-S93 PolarHBondContact O-OG 2.98Å; I89-S93 VanDerWaalsContact O-OG 3.09Å; I89-V593 HydrophobicContact CB-CG2 4.19Å; I89-V593 HydrophobicContact CD1-CG2 3.8Å; I89-V593 HydrophobicContact CG2-CG2 3.79Å; I89-M596 HydrophobicContact CD1-CE 3.23Å; I89-M596 HydrophobicContact CG1-CE 4.38Å
90	Q	40.4	Very low	44.5	Very low	132 Å²	132	65.2 Å²	65.2	62%	0.617	38%	0.382	S	S	*	.	H	α-helix	trans	-62.1	-24	172.9	-80.8	179.2	-16.5	0	0	112.5	L86	L86-Q90 WeakPolarHBondContact O-CB 3.47Å; L86-Q90 WeakPolarHBondContact O-CG 3.31Å; L86-Q90 PolarHBondContact O-N 3.38Å
91	K	45.2	Very low	44.3	Very low	129 Å²	129	68.9 Å²	68.9	56%	0.561	38%	0.383	S	S	*	.	H	α-helix	trans	-80	-27	169.2	-58.9	164.7	-171.2	170.5	0	112.9	N87 D88 I89	N87-K91 WeakPolarHBondContact O-CG 3.35Å; D88-K91 WeakPolarHBondContact O-CB 3.38Å; D88-K91 PolarHBondContact O-N 3.16Å; I89-K91 PolarHBondContact O-N 2.93Å; I89-K91 VanDerWaalsContact O-N 3.15Å
92	L	39.8	Very low	43.1	Very low	75 Å²	75	68.7 Å²	68.7	39%	0.393	41%	0.41	S	S	.	.	H	α-helix	trans	-92.9	-15.3	176.7	-60.6	163.6	0	0	0	114.2	D88 I89 I95	D88-L92 WeakPolarHBondContact O-CG 3.27Å; D88-L92 PolarHBondContact O-N 2.68Å; D88-L92 VanDerWaalsContact O-N 3.15Å; I89-L92 HydrophobicContact CG1-CD1 4.45Å; I89-L92 CarbonylContact O-C 3.46Å; I89-L92 WeakPolarHBondContact O-CA 3.41Å; I89-L92 PolarHBondContact O-N 2.86Å; L92-I95 WeakPolarHBondContact O-CB 3.48Å; L92-I95 WeakPolarHBondContact O-CG1 3.5Å; L92-I95 PolarHBondContact O-N 3.17Å
93	S	33.9	Very low	41.9	Very low	48 Å²	48	78.2 Å²	78.2	34%	0.336	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-102	-2.5	-171.8	75.1	0	0	0	0	113.5	I89 I95 S96	I89-S93 WeakPolarHBondContact O-CA 3.2Å; I89-S93 WeakPolarHBondContact O-CB 3.49Å; I89-S93 PolarHBondContact O-N 2.74Å; I89-S93 PolarHBondContact O-OG 2.98Å; I89-S93 VanDerWaalsContact O-OG 3.09Å; S93-I95 PolarHBondContact O-N 2.9Å; S93-S96 PolarHBondContact O-OG 2.64Å
94	A	33	Very low	40.8	Very low	83 Å²	83	79.7 Å²	79.7	69%	0.686	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-62.7	-9.7	150.4	0	0	0	0	0	111.9
95	I	39.2	Very low	40	Very low	51 Å²	51	81 Å²	81	26%	0.262	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-117.4	4.2	-170	-31.1	179.4	0	0	0	111.7	L92 S93 S97 S403 Q430	L92-I95 WeakPolarHBondContact O-CB 3.48Å; L92-I95 WeakPolarHBondContact O-CG1 3.5Å; L92-I95 PolarHBondContact O-N 3.17Å; S93-I95 PolarHBondContact O-N 2.9Å; I95-S97 PolarHBondContact O-N 3.46Å; I95-S403 VanDerWaalsContact CG2-CB 3.43Å; I95-Q430 HydrophobicContact CD1-CB 4.5Å; I95-Q430 HydrophobicContact CD1-CG 3.41Å; I95-Q430 VanDerWaalsContact CD1-CG 3.41Å
96	S	33.1	Very low	39.4	Very low	66 Å²	66	86 Å²	86	46%	0.462	49%	0.488	S	S	.	.			trans	-83.3	27.8	170.6	66.3	0	0	0	0	113	S93 N98	S93-S96 PolarHBondContact O-OG 2.64Å; S96-N98 PolarHBondContact O-N 3.24Å
97	S	29.2	Very low	38.7	Very low	75 Å²	75	85.8 Å²	85.8	52%	0.524	49%	0.493	S	S	.	.			trans	-95.7	68.3	172	-67.2	0	0	0	0	109.9	I95 T99	I95-S97 PolarHBondContact O-N 3.46Å; S97-T99 PolarHBondContact O-N 3.42Å
98	N	39.5	Very low	38.4	Very low	57 Å²	57	92.2 Å²	92.2	31%	0.305	51%	0.51	S	S	.	.			trans	-70.7	75.2	157.3	-94	21.5	0	0	0	107.9	S96 K514 D516	S96-N98 PolarHBondContact O-N 3.24Å; N98-K514 WeakPolarHBondContact ND2-CE 3.37Å; N98-K514 PolarHBondContact ND2-NZ 3.17Å; N98-D516 PolarHBondContact ND2-OD2 3.01Å
99	T	35.3	Very low	38.2	Very low	60 Å²	60	94.9 Å²	94.9	37%	0.368	52%	0.515	S	S	.	.			trans	-132.1	83.2	179.9	-44.9	0	0	0	0	107.7	S97 R101	S97-T99 PolarHBondContact O-N 3.42Å; T99-R101 HydrophobicContact CG2-CB 4.46Å; T99-R101 WeakPolarHBondContact CG2-O 3.37Å; T99-R101 PolarHBondContact O-N 2.96Å
100	L	35.6	Very low	37.5	Very low	70 Å²	70	102.2 Å²	102.2	37%	0.366	54%	0.542	S	S	.	.			trans	-64.4	21.6	174.2	-63.6	168.4	0	0	0	113.4	E401	L100-E401 WeakPolarHBondContact CD2-O 3.1Å
101	R	42.7	Very low	37.5	Very low	116 Å²	116	99.4 Å²	99.4	44%	0.438	54%	0.541	S	S	.	.	S	Bend	trans	-146.5	131.9	-168.3	-59.9	-178.3	-174.2	-101.7	-0.2	111.7	T99 R103 D477 Y660	T99-R101 HydrophobicContact CG2-CB 4.46Å; T99-R101 WeakPolarHBondContact CG2-O 3.37Å; T99-R101 PolarHBondContact O-N 2.96Å; R101-R103 PolarHBondContact O-N 2.7Å; R101-D477 IonicContact CZ-OD1 3.83Å; R101-D477 IonicContact NE-OD1 2.62Å; R101-D477 IonicContact NH2-OD1 2.72Å; R101-D477 PolarHBondContact NH2-OD1 3.17Å; R101-D477 IonicContact NH2-OD2 3.36Å; R101-D477 PolarHBondContact NH2-OD2 3.37Å; R101-Y660 PolarHBondContact NH2-OH 3.48Å
102	G	31.3	Very low	37.3	Very low	91 Å²	91	98.1 Å²	98.1	94%	0.938	54%	0.537	S	S	*	.	S	Bend	trans	-71	21.2	170.2	0	0	0	0	0	115.3
103	R	31.9	Very low	37.3	Very low	223 Å²	223	98 Å²	98	84%	0.842	54%	0.542	S	S	*	.	S	Bend	trans	-149.1	130.5	178.3	-67.2	-171	-179.6	-178.9	1.5	111.2	R101	R101-R103 PolarHBondContact O-N 2.7Å
104	S	28.8	Very low	37.3	Very low	100 Å²	100	104 Å²	104	70%	0.699	57%	0.57	S	S	*	*			trans	-108.3	160.7	161.8	-41.8	0	0	0	0	108.7
105	P	40.1	Very low	37.9	Very low	65 Å²	65	101.3 Å²	101.3	42%	0.422	55%	0.551	S	S	.	*			cis	-138.8	157.9	0.8	37.4	-18.9	0	0	0	116.1	R110	P105-R110 VanDerWaalsContact CG-CZ 3.47Å
106	T	41.6	Very low	37.9	Very low	119 Å²	119	107.3 Å²	107.3	73%	0.73	58%	0.582	S	S	*	*			trans	-138.8	143.7	137.8	107	0	0	0	0	108.1
107	S	38.3	Very low	37.8	Very low	67 Å²	67	110.7 Å²	110.7	47%	0.469	59%	0.594	S	S	.	*			cis	69.4	61.5	-10.5	-117.1	0	0	0	0	115.6	R109 R110	S107-R109 PolarHBondContact O-N 3.04Å; S107-R110 PolarHBondContact O-N 3.48Å; S107-R110 VanDerWaalsContact OG-CA 3.31Å; S107-R110 WeakPolarHBondContact OG-CA 3.47Å; S107-R110 WeakPolarHBondContact OG-CB 3.32Å; S107-R110 PolarHBondContact OG-N 2.9Å
108	R	44.6	Very low	38	Very low	230 Å²	230	110.2 Å²	110.2	87%	0.868	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	27.6	160.3	-170.3	-122.2	172.7	160.1	-2.4	113.5
109	R	47.8	Very low	37.7	Very low	126 Å²	126	117.4 Å²	117.4	48%	0.475	63%	0.633	S	S	.	*	T	Hydrogen-bonded Turn	trans	177.9	-9.8	-135.9	-80	-160.2	-164.1	136.6	7.8	112.1	S107 A111 Q112 E584	S107-R109 PolarHBondContact O-N 3.04Å; R109-A111 PolarHBondContact O-N 3.41Å; R109-Q112 PolarHBondContact O-N 2.85Å; R109-E584 IonicContact CZ-OE1 2.72Å; R109-E584 IonicContact CZ-OE2 3.82Å; R109-E584 VanDerWaalsContact NH1-CD 3.27Å; R109-E584 IonicContact NH1-OE1 3.44Å; R109-E584 PolarHBondContact NH1-OE1 2.86Å; R109-E584 VanDerWaalsContact NH1-OE1 3.07Å; R109-E584 IonicContact NH1-OE2 3.36Å; R109-E584 PolarHBondContact NH1-OE2 3.36Å; R109-E584 IonicContact NH2-OE1 3.07Å; R109-E584 PolarHBondContact NH2-OE1 3.03Å; R109-E584 IonicContact NH2-OE2 2.93Å
110	R	36.5	Very low	37.8	Very low	163 Å²	163	119.4 Å²	119.4	62%	0.615	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-54.5	-54.5	165	171.4	169.2	-80.1	-168.9	-4.3	105.3	P105 S107 S113	P105-R110 VanDerWaalsContact CG-CZ 3.47Å; S107-R110 PolarHBondContact O-N 3.48Å; S107-R110 VanDerWaalsContact OG-CA 3.31Å; S107-R110 WeakPolarHBondContact OG-CA 3.47Å; S107-R110 WeakPolarHBondContact OG-CB 3.32Å; S107-R110 PolarHBondContact OG-N 2.9Å; R110-S113 WeakPolarHBondContact O-CA 3.31Å; R110-S113 WeakPolarHBondContact O-CB 3.34Å; R110-S113 PolarHBondContact O-N 3.47Å; R110-S113 PolarHBondContact O-OG 2.77Å
111	A	39.8	Very low	37.5	Very low	73 Å²	73	126.8 Å²	126.8	60%	0.603	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-90.5	87.4	157.9	0	0	0	0	0	108.6	R109 S113	R109-A111 PolarHBondContact O-N 3.41Å; A111-S113 WeakPolarHBondContact CA-OG 3.31Å; A111-S113 PolarHBondContact N-OG 2.9Å; A111-S113 VanDerWaalsContact N-OG 3.1Å
112	Q	41.1	Very low	37.2	Very low	102 Å²	102	126.7 Å²	126.7	48%	0.477	68%	0.679	S	S	.	*	G	3₁₀ helix		-62.5	-1.6	57.4	-74.3	176.7	-33.4	0	0	121.8	R109 L114 G115	R109-Q112 PolarHBondContact O-N 2.85Å; Q112-L114 PolarHBondContact O-N 3.23Å; Q112-G115 PolarHBondContact O-N 2.67Å
113	S	39.3	Very low	37.5	Very low	72 Å²	72	128 Å²	128	50%	0.503	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-5.1	-56.6	171.8	-59.2	0	0	0	0	116.3	R110 A111	R110-S113 WeakPolarHBondContact O-CA 3.31Å; R110-S113 WeakPolarHBondContact O-CB 3.34Å; R110-S113 PolarHBondContact O-N 3.47Å; R110-S113 PolarHBondContact O-OG 2.77Å; A111-S113 WeakPolarHBondContact CA-OG 3.31Å; A111-S113 PolarHBondContact N-OG 2.9Å; A111-S113 VanDerWaalsContact N-OG 3.1Å
114	L	35.3	Very low	37.6	Very low	175 Å²	175	124.9 Å²	124.9	92%	0.916	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.1	2.7	-166.1	-56.6	173	0	0	0	110.8	Q112	Q112-L114 PolarHBondContact O-N 3.23Å
115	G	44.8	Very low	37.7	Very low	27 Å²	27	128 Å²	128	28%	0.278	68%	0.677	S	S	.	*	S	Bend	trans	166.4	145	171.5	0	0	0	0	0	119.8	Q112 L117	Q112-G115 PolarHBondContact O-N 2.67Å; G115-L117 PolarHBondContact O-N 2.84Å
116	L	40.1	Very low	37.1	Very low	176 Å²	176	134.3 Å²	134.3	92%	0.921	69%	0.693	S	S	*	*				82.4	-6.5	108.4	-62.6	161.6	0	0	0	122.4	G118	L116-G118 PolarHBondContact O-N 2.83Å
117	L	30.4	Very low	36.6	Very low	137 Å²	137	134.9 Å²	134.9	72%	0.717	69%	0.691	S	S	*	*			trans	-77.4	114.5	-169.8	-77.6	170.7	0	0	0	117.8	G115	G115-L117 PolarHBondContact O-N 2.84Å
118	G	33	Very low	36	Very low	66 Å²	66	139.8 Å²	139.8	68%	0.68	71%	0.707	S	S	*	*			trans	-142.1	170	145.3	0	0	0	0	0	108	L116	L116-G118 PolarHBondContact O-N 2.83Å
119	E	32.7	Very low	35.2	Very low	208 Å²	208	134.1 Å²	134.1	97%	0.972	70%	0.703	S	S	*	*			cis	-131.3	-164	3.7	-78.1	-154.2	110.8	0	0	112.2
120	D	37.4	Very low	35	Very low	102 Å²	102	133.3 Å²	133.3	55%	0.545	71%	0.713	S	S	.	*			trans	-103	128.6	-170	-125.9	-28.6	0	0	0	112.1	R612	D120-R612 IonicContact OD2-NH2 2.65Å; D120-R612 PolarHBondContact OD2-NH2 3.11Å
121	R	30.6	Very low	34.6	Very low	224 Å²	224	134.3 Å²	134.3	85%	0.845	73%	0.725	S	S	*	*			trans	71.3	174.9	156.9	-51.9	176	174.3	-148.3	-4.7	118.8
122	P	35.9	Very low	34.1	Very low	114 Å²	114	134.5 Å²	134.5	74%	0.74	73%	0.727	S	S	*	*			cis	-123.4	-174.9	-13.2	41.5	-27.3	0	0	0	113.7
123	P	37.6	Very low	33.4	Very low	119 Å²	119	136.4 Å²	136.4	77%	0.773	74%	0.74	S	S	*	*			trans	-98.1	125.3	156.9	34.2	-27.5	0	0	0	113.1
124	D	34.5	Very low	32.9	Very low	157 Å²	157	145 Å²	145	84%	0.84	76%	0.762	S	S	*	*			trans	35.9	121.3	153.5	-54.1	-21.8	0	0	0	123.2
125	M	29.6	Very low	32.5	Very low	166 Å²	166	140.9 Å²	140.9	82%	0.818	75%	0.753	S	S	*	*				-162.5	119.9	125.5	-108.4	-164.7	74.7	0	0	113.7
126	Y	29.3	Very low	31.8	Very low	197 Å²	197	146.9 Å²	146.9	77%	0.773	78%	0.779	S	S	*	*			trans	66.1	128.5	150.5	-86.8	-112.9	0	0	0	123.5
127	L	30.2	Very low	31.3	Very low	132 Å²	132	146.9 Å²	146.9	69%	0.691	77%	0.771	S	S	*	*			trans	87.2	122.7	146	-69.7	163.9	0	0	0	123.2
128	Q	26.3	Very low	31.4	Very low	170 Å²	170	151.1 Å²	151.1	79%	0.794	78%	0.78	S	S	*	*			trans	68.6	99.1	139.5	-75.5	167.4	-46.9	0	0	121.3
129	S	26.9	Very low	31.2	Very low	111 Å²	111	150.7 Å²	150.7	78%	0.776	78%	0.776	S	S	*	*			trans	-57.6	160.1	135.8	-26.4	0	0	0	0	110.8
130	P	43.5	Very low	31.1	Very low	108 Å²	108	147.9 Å²	147.9	70%	0.701	77%	0.767	S	S	*	*				-144.9	163.3	67.9	41	-23.6	0	0	0	118
131	E	28.2	Very low	30.7	Very low	184 Å²	184	152.8 Å²	152.8	86%	0.86	78%	0.779	S	S	*	*			trans	74.8	129.4	138.5	-81.7	165.7	-140.9	0	0	125
132	A	29.2	Very low	30.7	Very low	77 Å²	77	150.5 Å²	150.5	64%	0.636	78%	0.783	S	S	*	*				100.8	105.1	127.5	0	0	0	0	0	122.1
133	N	26.8	Very low	30.4	Very low	143 Å²	143	150.9 Å²	150.9	77%	0.765	78%	0.779	S	S	*	*				84.9	146.5	121.4	-70.1	-21.3	0	0	0	123.1
134	W	27.7	Very low	29.9	Very low	251 Å²	251	150.3 Å²	150.3	95%	0.951	78%	0.777	S	S	*	*			trans	83.4	143.8	168.3	-57.5	-9.4	0	0	0	117.9
135	A	28.7	Very low	29.7	Very low	90 Å²	90	150.2 Å²	150.2	74%	0.744	78%	0.776	S	S	*	*			cis	-165.1	159.7	-23	0	0	0	0	0	109.5
136	D	28.7	Very low	29.6	Very low	153 Å²	153	146.3 Å²	146.3	82%	0.818	78%	0.778	S	S	*	*			trans	-65.8	144.7	176.1	-61.1	-74.2	0	0	0	113.9
137	K	30.1	Very low	29.5	Very low	175 Å²	175	140.9 Å²	140.9	76%	0.761	78%	0.782	S	S	*	*				167.2	125.9	112.3	-89.5	160.6	-174.6	173.7	0	112.1
138	Y	33.3	Very low	29.4	Very low	226 Å²	226	139.5 Å²	139.5	89%	0.886	79%	0.79	S	S	*	*				168.7	127.3	105.6	-99.7	-75.1	0	0	0	109.1
139	G	27.8	Very low	29.6	Very low	58 Å²	58	141 Å²	141	60%	0.598	79%	0.794	S	S	*	*			trans	-123.3	155.4	167.9	0	0	0	0	0	110.5
140	N	31.1	Very low	29.8	Very low	148 Å²	148	141.8 Å²	141.8	79%	0.791	79%	0.794	S	S	*	*				-176.6	136.5	118.8	-92.1	-14.7	0	0	0	113.4
141	Y	28.4	Very low	29.1	Very low	205 Å²	205	143.4 Å²	143.4	80%	0.804	80%	0.802	S	S	*	*			trans	24.7	130.5	145.9	-66.1	-90.4	0	0	0	121.5
142	L	31.8	Very low	29.1	Very low	176 Å²	176	145.6 Å²	145.6	92%	0.921	80%	0.802	S	S	*	*				-147.7	161.9	113.5	-109.4	163.5	0	0	0	111.4
143	N	28.6	Very low	29.1	Very low	122 Å²	122	151.9 Å²	151.9	65%	0.652	81%	0.809	S	S	*	*			trans	-109.1	170.2	-167.3	-149.8	12.8	0	0	0	108.5
144	C	28.2	Very low	29.2	Very low	108 Å²	108	151.5 Å²	151.5	73%	0.73	80%	0.803	S	S	*	*			cis	-154.2	143.6	34.6	-72.2	0	0	0	0	114.9
145	N	29.6	Very low	29.3	Very low	155 Å²	155	145.3 Å²	145.3	83%	0.829	79%	0.793	S	S	*	*			trans	18.4	135.4	141.2	-71.1	-27	0	0	0	123.6
146	G	27.4	Very low	29.1	Very low	84 Å²	84	148.6 Å²	148.6	87%	0.866	80%	0.795	S	S	*	*			trans	159.9	117	140.5	0	0	0	0	0	114
147	G	27.2	Very low	29	Very low	83 Å²	83	152.2 Å²	152.2	86%	0.856	80%	0.797	S	S	*	*			cis	170.2	127.8	-9.9	0	0	0	0	0	110.9
148	A	27.4	Very low	29.8	Very low	103 Å²	103	148.7 Å²	148.7	85%	0.851	79%	0.793	S	S	*	*			trans	-137.9	141	-176.6	0	0	0	0	0	112.8
149	K	31.1	Very low	29.6	Very low	202 Å²	202	144.9 Å²	144.9	88%	0.878	79%	0.788	S	S	*	*			trans	-106.9	122.5	172.4	-75.8	-179.1	179.5	179.1	0	107.8
150	V	31.7	Very low	29.6	Very low	127 Å²	127	151.5 Å²	151.5	77%	0.77	80%	0.796	S	S	*	*				62.9	115.3	86.5	174.8	0	0	0	0	110.8
151	T	27.1	Very low	29.5	Very low	141 Å²	141	153.2 Å²	153.2	87%	0.865	80%	0.796	S	S	*	*				-148.4	149.8	93.1	-64.8	0	0	0	0	113.1
152	R	28.5	Very low	30.8	Very low	230 Å²	230	148.7 Å²	148.7	87%	0.868	79%	0.792	S	S	*	*			trans	-147.1	142.4	-176.2	171.1	-166.3	-177.2	-160.1	4.3	108.8
153	R	30.3	Very low	30.6	Very low	209 Å²	209	151 Å²	151	79%	0.789	79%	0.788	S	S	*	*			trans	-174.6	126.9	147.1	-102.8	-179.6	-173.8	-121.8	10.5	109.3
154	Q	28.5	Very low	30.6	Very low	135 Å²	135	151.4 Å²	151.4	63%	0.631	79%	0.79	S	S	*	*				73.6	136.5	97.3	-75.3	-177.9	-34	0	0	113.6
155	T	30.3	Very low	30.5	Very low	122 Å²	122	153.5 Å²	153.5	75%	0.748	79%	0.794	S	S	*	*			cis	-146	-162.7	-0.5	-7.7	0	0	0	0	108.3
156	M	24.1	Very low	30.3	Very low	159 Å²	159	149.2 Å²	149.2	78%	0.783	79%	0.786	S	S	*	*			cis	-155.2	176.8	10	-152.3	160.2	168.2	0	0	110.8
157	W	27.4	Very low	30.3	Very low	228 Å²	228	154.7 Å²	154.7	86%	0.864	79%	0.79	S	S	*	*			trans	-143.9	155.6	164.2	-79.4	88.6	0	0	0	108.9
158	P	45.6	Very low	30.4	Very low	102 Å²	102	155.1 Å²	155.1	66%	0.662	78%	0.779	S	S	*	*				-140.9	-157.1	98.4	40	-22.2	0	0	0	111.2
159	D	29.7	Very low	30.8	Very low	146 Å²	146	158.8 Å²	158.8	78%	0.781	78%	0.778	S	S	*	*			cis	-154.8	-162.3	5.7	-142	-48.8	0	0	0	112.8
160	Y	26.9	Very low	32	Very low	197 Å²	197	154 Å²	154	77%	0.773	77%	0.768	S	S	*	*			trans	-100.7	131.1	-167.9	-107.1	-122.2	0	0	0	117.3
161	K	30.5	Very low	32.1	Very low	183 Å²	183	155.8 Å²	155.8	80%	0.796	77%	0.773	S	S	*	*				61	170	128.5	-91.8	-168.6	172.6	178.4	0	120.7
162	P	54.7	Low	32.3	Very low	110 Å²	110	152.4 Å²	152.4	71%	0.714	77%	0.767	S	S	*	*			trans	-137.7	-176.2	-133.3	44.8	-26.9	0	0	0	118.6
163	R	28.3	Very low	32.5	Very low	226 Å²	226	150.2 Å²	150.2	85%	0.853	77%	0.768	S	S	*	*			trans	116.4	146.3	132.8	-131	-175.3	-164.2	-161.9	3.3	118.7
164	L	28.2	Very low	32.6	Very low	130 Å²	130	147.5 Å²	147.5	68%	0.681	78%	0.775	S	S	*	*			trans	93.6	126.7	157.6	-64.5	161	0	0	0	120.3
165	D	27	Very low	32.9	Very low	151 Å²	151	149.4 Å²	149.4	81%	0.807	79%	0.786	S	S	*	*			trans	51	150.1	146.9	-44.7	-26.5	0	0	0	121.5
166	G	25.4	Very low	33	Very low	66 Å²	66	153.1 Å²	153.1	68%	0.68	79%	0.792	S	S	*	*			cis	166.2	151.2	-8.4	0	0	0	0	0	112.9
167	Q	27	Very low	33.3	Very low	199 Å²	199	150.4 Å²	150.4	93%	0.93	79%	0.794	S	S	*	*			trans	67.8	153.9	171	-61.6	175.1	-4.3	0	0	117.8
168	S	28.9	Very low	33.6	Very low	91 Å²	91	148.4 Å²	148.4	64%	0.636	80%	0.795	S	S	*	*			cis	-171.7	146.7	-23.2	56.5	0	0	0	0	114.7
169	H	35.8	Very low	32.9	Very low	181 Å²	181	148.1 Å²	148.1	84%	0.838	80%	0.795	S	S	*	*			trans	68.8	167.1	148.3	-75	-44.6	0	0	0	121.3
170	P	57.1	Low	32.8	Very low	102 Å²	102	149.5 Å²	149.5	66%	0.662	80%	0.801	S	S	*	*			cis	-131	169.3	8.5	42.3	-26.5	0	0	0	119
171	N	32.4	Very low	32.8	Very low	163 Å²	163	143.7 Å²	143.7	87%	0.872	80%	0.801	S	S	*	*			trans	61.3	152.7	161.2	-58.5	-13.9	0	0	0	119.8
172	G	31.2	Very low	34.3	Very low	71 Å²	71	140.7 Å²	140.7	73%	0.732	80%	0.801	S	S	*	*			cis	166.6	128.3	-12.8	0	0	0	0	0	115
173	M	33.2	Very low	33.3	Very low	184 Å²	184	140.7 Å²	140.7	91%	0.906	80%	0.803	S	S	*	*			trans	68.3	137.1	170.7	-68.6	-165.2	173.2	0	0	122
174	V	33.4	Very low	33.3	Very low	151 Å²	151	139 Å²	139	92%	0.915	81%	0.805	S	S	*	*				-173.2	173.3	123.9	149.4	0	0	0	0	108.9
175	M	33.5	Very low	33.3	Very low	175 Å²	175	141.6 Å²	141.6	86%	0.862	81%	0.811	S	S	*	*			trans	-101.6	173.4	-146	-74.2	-74.1	-173.8	0	0	119.6
176	K	33.5	Very low	33.4	Very low	201 Å²	201	143 Å²	143	87%	0.874	81%	0.813	S	S	*	*			trans	-87.4	163.3	-179.1	-64.4	170.9	168.9	178	0	115.4
177	A	30.2	Very low	33.5	Very low	102 Å²	102	142.8 Å²	142.8	84%	0.843	81%	0.811	S	S	*	*			trans	-164	173.4	137.6	0	0	0	0	0	112.3
178	Q	33.2	Very low	33.7	Very low	186 Å²	186	139.5 Å²	139.5	87%	0.869	80%	0.804	S	S	*	*			trans	-143.8	146.9	-173.5	-64.3	176.2	-88.4	0	0	115
179	S	30.2	Very low	33.8	Very low	96 Å²	96	143.3 Å²	143.3	67%	0.671	82%	0.818	S	S	*	*			trans	65.1	125.6	132.3	-171.8	0	0	0	0	124.3
180	L	29.2	Very low	33.5	Very low	175 Å²	175	138.4 Å²	138.4	92%	0.916	82%	0.816	S	S	*	*			trans	65	143.1	148.3	-70.9	169.2	0	0	0	121.6
181	G	26.7	Very low	32.2	Very low	74 Å²	74	139 Å²	139	76%	0.763	82%	0.822	S	S	*	*			trans	122.3	135	158.2	0	0	0	0	0	116.7
182	P	60.7	Low	31.9	Very low	121 Å²	121	136.5 Å²	136.5	79%	0.786	82%	0.816	S	S	*	*			trans	-120.7	168.4	172.1	40.8	-30.6	0	0	0	115.5
183	S	35.3	Very low	31.9	Very low	110 Å²	110	140 Å²	140	77%	0.769	82%	0.817	S	S	*	*			trans	90.4	156.2	159.3	-53.5	0	0	0	0	120
184	E	27.7	Very low	31.8	Very low	191 Å²	191	137.8 Å²	137.8	89%	0.893	80%	0.804	S	S	*	*			trans	70.6	164.5	172.4	-58.1	-172.5	170.1	0	0	118.6
185	F	27.5	Very low	31.6	Very low	183 Å²	183	140.5 Å²	140.5	80%	0.803	80%	0.798	S	S	*	*				-161.5	169.1	-57.1	-154.5	-102	0	0	0	110
186	Q	29.1	Very low	31.4	Very low	181 Å²	181	136.7 Å²	136.7	85%	0.846	80%	0.795	S	S	*	*			trans	74	157	161.3	-111.9	164.5	69.1	0	0	121.1
187	G	27.5	Very low	31.4	Very low	62 Å²	62	132.6 Å²	132.6	64%	0.639	79%	0.791	S	S	*	*			trans	127.9	76.5	176	0	0	0	0	0	115.3
188	T	30.8	Very low	31.3	Very low	130 Å²	130	131.2 Å²	131.2	80%	0.798	79%	0.787	S	S	*	*				76.1	106.2	86.4	61.5	0	0	0	0	117.8
189	D	31.4	Very low	31.2	Very low	171 Å²	171	130.1 Å²	130.1	91%	0.914	79%	0.786	S	S	*	*			trans	34.1	136.9	149.2	-57.3	-16.5	0	0	0	124.1
190	G	29.5	Very low	31.3	Very low	78 Å²	78	132.5 Å²	132.5	80%	0.804	79%	0.787	S	S	*	*			trans	-173.5	61.4	177.5	0	0	0	0	0	119.4
191	S	30.5	Very low	31.3	Very low	114 Å²	114	132.5 Å²	132.5	80%	0.797	78%	0.781	S	S	*	*			trans	42.1	106.9	151.2	-177.8	0	0	0	0	123.2
192	C	26.1	Very low	31.6	Very low	110 Å²	110	132.8 Å²	132.8	74%	0.743	78%	0.777	S	S	*	*				48.8	127.6	124.1	-166.6	0	0	0	0	123.2
193	I	30.4	Very low	31.1	Very low	144 Å²	144	132.8 Å²	132.8	74%	0.738	78%	0.777	S	S	*	*				-167.1	128.7	125.5	-106	164.9	0	0	0	113.1
194	Q	31.2	Very low	31	Very low	138 Å²	138	131.6 Å²	131.6	65%	0.645	77%	0.773	S	S	*	*			trans	44.6	146.9	150.1	-56.3	-173.1	45.7	0	0	122
195	R	28.9	Very low	31.2	Very low	209 Å²	209	130 Å²	130	79%	0.789	77%	0.77	S	S	*	*			cis	-168.3	151.1	-7.6	-116.9	175.8	174.3	155.3	-14	110.9
196	A	30.3	Very low	31.3	Very low	95 Å²	95	128.3 Å²	128.3	79%	0.785	77%	0.769	S	S	*	*			trans	64.1	148.2	149	0	0	0	0	0	120.4
197	S	32.5	Very low	31.3	Very low	115 Å²	115	122.4 Å²	122.4	80%	0.804	76%	0.756	S	S	*	*			cis	-171.9	143.3	-14.4	48.4	0	0	0	0	113.3
198	G	29.6	Very low	31.4	Very low	73 Å²	73	128.1 Å²	128.1	75%	0.753	77%	0.767	S	S	*	*			trans	88.2	154.1	160.4	0	0	0	0	0	116.6
199	L	29.5	Very low	31.5	Very low	162 Å²	162	126.7 Å²	126.7	85%	0.848	76%	0.762	S	S	*	*			cis	-153.1	174.2	-6.4	-119.6	167.3	0	0	0	111.2
200	Q	33.1	Very low	31.5	Very low	147 Å²	147	124.4 Å²	124.4	69%	0.687	75%	0.75	S	S	*	*			trans	-80.4	152	-163.4	-59.6	152.1	13	0	0	114.4
201	H	30	Very low	31.6	Very low	174 Å²	174	128.5 Å²	128.5	81%	0.806	75%	0.745	S	S	*	*				177.7	151.7	105.5	-102.1	-76.3	0	0	0	115.2
202	A	32.3	Very low	32.3	Very low	81 Å²	81	129.1 Å²	129.1	67%	0.669	75%	0.746	S	S	*	*			trans	-135.6	162.7	161.1	0	0	0	0	0	108.7
203	P	49.8	Very low	32.5	Very low	120 Å²	120	127 Å²	127	78%	0.779	74%	0.743	S	S	*	*				-135.3	159.9	97.4	27.4	-8	0	0	0	112.2
204	A	33.2	Very low	32.5	Very low	85 Å²	85	129.8 Å²	129.8	70%	0.702	75%	0.75	S	S	*	*				62.5	137.1	54.8	0	0	0	0	0	112.3
205	L	31.8	Very low	32.5	Very low	157 Å²	157	133 Å²	133	82%	0.822	76%	0.762	S	S	*	*			cis	-138.5	177.1	20.6	-69	165.5	0	0	0	108.5
206	L	30	Very low	32.4	Very low	148 Å²	148	129 Å²	129	78%	0.775	77%	0.766	S	S	*	*			cis	-163.2	176.2	-10.3	-108.3	164.1	0	0	0	105.2
207	G	28.1	Very low	32.3	Very low	57 Å²	57	129 Å²	129	59%	0.588	76%	0.76	S	S	*	*			cis	163.4	151.7	-3.3	0	0	0	0	0	112.7
208	E	30	Very low	32.2	Very low	183 Å²	183	132.2 Å²	132.2	86%	0.855	76%	0.762	S	S	*	*			trans	64.4	146.6	155.6	-63.1	-162.3	83.4	0	0	122
209	S	33.1	Very low	32	Very low	99 Å²	99	138.1 Å²	138.1	69%	0.692	77%	0.77	S	S	*	*			cis	-173.5	158	-14.8	50.6	0	0	0	0	110
210	D	31.9	Very low	32	Very low	124 Å²	124	135.4 Å²	135.4	66%	0.663	76%	0.763	S	S	*	*			cis	-147.3	-78.4	-27.5	-168.2	48.1	0	0	0	114.1
211	K	31.5	Very low	31.5	Very low	164 Å²	164	138.8 Å²	138.8	71%	0.713	77%	0.77	S	S	*	*			trans	-154.6	-175.2	-153.3	-81.3	-175.3	-157.7	97.2	0	114.1
212	P	45.9	Very low	31.6	Very low	126 Å²	126	136.2 Å²	136.2	82%	0.818	77%	0.769	S	S	*	*			cis	-131.8	-176	6.2	42.6	-25.1	0	0	0	115.8
213	G	30.1	Very low	31.5	Very low	65 Å²	65	139.9 Å²	139.9	67%	0.67	77%	0.772	S	S	*	*			cis	145	113.6	-13.2	0	0	0	0	0	116.3
214	K	30.7	Very low	31.6	Very low	204 Å²	204	139 Å²	139	89%	0.887	77%	0.767	S	S	*	*			trans	171.2	128.9	159.3	-95.9	159.7	-175	-179.8	0	107.5
215	K	30.3	Very low	31.3	Very low	206 Å²	206	141.4 Å²	141.4	90%	0.896	78%	0.777	S	S	*	*				58.2	134.1	74.1	-69.1	-165.8	175.3	-170.5	0	113.5
216	S	25.8	Very low	31.2	Very low	124 Å²	124	141.4 Å²	141.4	87%	0.867	78%	0.776	S	S	*	*			cis	-143.7	-157.6	14.3	54.3	0	0	0	0	113.9
217	S	28.9	Very low	31.2	Very low	94 Å²	94	140.4 Å²	140.4	66%	0.657	78%	0.777	S	S	*	*			trans	-122.7	154.7	-158.1	49.1	0	0	0	0	117
218	E	29.6	Very low	31.1	Very low	184 Å²	184	141.5 Å²	141.5	86%	0.86	79%	0.787	S	S	*	*			trans	69.3	165.1	142.7	-74	173.8	137.1	0	0	124.1
219	E	27.1	Very low	31.1	Very low	196 Å²	196	141.8 Å²	141.8	92%	0.916	79%	0.789	S	S	*	*			trans	79.2	169.4	169.6	-56.8	-142.1	112.1	0	0	120.9
220	C	28.2	Very low	30.8	Very low	105 Å²	105	142.2 Å²	142.2	71%	0.709	80%	0.798	S	S	*	*			trans	-156.7	156.5	-131.4	-164.1	0	0	0	0	115.2
221	W	24	Very low	30.7	Very low	218 Å²	218	141.8 Å²	141.8	83%	0.826	81%	0.805	S	S	*	*			trans	66.6	163.9	175.6	-72.8	112.7	0	0	0	115.1
222	P	32	Very low	30.5	Very low	120 Å²	120	139.8 Å²	139.8	78%	0.779	81%	0.811	S	S	*	*			cis	-140.5	-172.6	31	43.8	-23.4	0	0	0	118.4
223	Q	30	Very low	29.8	Very low	159 Å²	159	144.7 Å²	144.7	74%	0.743	81%	0.814	S	S	*	*			trans	-89.4	-158.2	160.7	-46.6	178.7	-60.6	0	0	110
224	P	52.1	Low	30.5	Very low	102 Å²	102	147.6 Å²	147.6	66%	0.662	82%	0.821	S	S	*	*				-117.8	-168.5	-52.7	29	-10	0	0	0	111.1
225	C	26.3	Very low	30.4	Very low	135 Å²	135	143 Å²	143	91%	0.912	81%	0.814	S	S	*	*			trans	-140.2	158.2	163.3	-87.8	0	0	0	0	112
226	L	30	Very low	30.4	Very low	156 Å²	156	136.8 Å²	136.8	82%	0.817	81%	0.809	S	S	*	*			trans	-142.9	154.1	-163.5	-92.3	168.8	0	0	0	113.8
227	V	29.2	Very low	30.5	Very low	128 Å²	128	140.7 Å²	140.7	78%	0.776	81%	0.813	S	S	*	*			trans	67.6	134.3	151.1	171.4	0	0	0	0	119.9
228	G	26.1	Very low	30.4	Very low	79 Å²	79	139.7 Å²	139.7	81%	0.814	82%	0.818	S	S	*	*			trans	-165.2	123.8	158.1	0	0	0	0	0	110.1
229	Q	29.5	Very low	30.4	Very low	190 Å²	190	136.7 Å²	136.7	89%	0.888	82%	0.817	S	S	*	*			trans	-110.9	153.5	-175.6	-64	178.6	-11.5	0	0	112.3
230	A	27.1	Very low	31.3	Very low	108 Å²	108	133 Å²	133	89%	0.893	81%	0.81	S	S	*	*			trans	-164	159.7	143.4	0	0	0	0	0	110.6
231	S	29.5	Very low	31.2	Very low	114 Å²	114	133.1 Å²	133.1	80%	0.797	81%	0.813	S	S	*	*			trans	-146.2	152.6	-173.7	60.3	0	0	0	0	113.3
232	S	28.4	Very low	31.5	Very low	122 Å²	122	127 Å²	127	85%	0.853	80%	0.803	S	S	*	*			trans	177.2	160.5	143.7	35.5	0	0	0	0	112.7
233	R	30.4	Very low	31.3	Very low	230 Å²	230	130.9 Å²	130.9	87%	0.868	81%	0.808	S	S	*	*			trans	-108.6	163.8	168.3	-54.1	174.1	169.4	172.5	-5.2	108.1
234	P	45	Very low	31.3	Very low	125 Å²	125	129.1 Å²	129.1	81%	0.812	81%	0.813	S	S	*	*				-138.9	-165	68.7	18.9	6.7	0	0	0	112.6
235	S	28.6	Very low	30.1	Very low	107 Å²	107	135.6 Å²	135.6	75%	0.748	82%	0.824	S	S	*	*			cis	178.9	139	-48.1	-78.9	0	0	0	0	108
236	G	29.7	Very low	30.4	Very low	77 Å²	77	137.5 Å²	137.5	79%	0.794	82%	0.82	S	S	*	*			trans	76.7	160.9	172.1	0	0	0	0	0	115.8
237	E	28.5	Very low	30.4	Very low	205 Å²	205	137.3 Å²	137.3	96%	0.958	82%	0.82	S	S	*	*			cis	-160.7	164.3	-16.1	-143.6	169	-153.5	0	0	109.5
238	G	28.1	Very low	30.4	Very low	73 Å²	73	135.6 Å²	135.6	75%	0.753	81%	0.814	S	S	*	*			trans	117.6	105.3	171.1	0	0	0	0	0	116.8
239	S	28.4	Very low	30.6	Very low	121 Å²	121	140.5 Å²	140.5	85%	0.846	82%	0.82	S	S	*	*			trans	-110.5	177.2	157.6	-71	0	0	0	0	107.8
240	P	45.8	Very low	30.8	Very low	118 Å²	118	140.9 Å²	140.9	77%	0.766	82%	0.819	S	S	*	*			cis	-141	-171.5	11	43.6	-25.1	0	0	0	116.3
241	S	27.4	Very low	31.1	Very low	109 Å²	109	147.4 Å²	147.4	76%	0.762	82%	0.82	S	S	*	*			trans	79.5	137.8	152	-165.6	0	0	0	0	119.3
242	S	29.3	Very low	31.2	Very low	90 Å²	90	153.9 Å²	153.9	63%	0.629	83%	0.827	S	S	*	*			cis	-162.4	156.2	-25.8	58.1	0	0	0	0	112.6
243	K	27.4	Very low	31.3	Very low	200 Å²	200	155.7 Å²	155.7	87%	0.87	83%	0.827	S	S	*	*			trans	66.3	149.5	153.4	-73.2	172.4	-179.4	177.3	0	120.7
244	S	30.3	Very low	31.3	Very low	123 Å²	123	152.3 Å²	152.3	86%	0.86	83%	0.825	S	S	*	*			trans	64.9	106.1	163.6	-157.3	0	0	0	0	118.4
245	R	26.8	Very low	30.6	Very low	238 Å²	238	157.5 Å²	157.5	90%	0.898	83%	0.828	S	S	*	*			trans	-154	132.1	146	-146.2	169.7	-175	164.8	2.5	112.4
246	E	33.2	Very low	30.6	Very low	174 Å²	174	157.3 Å²	157.3	81%	0.813	83%	0.827	S	S	*	*			trans	-68.8	150.7	166.5	-59.5	159.5	94.2	0	0	111.1
247	N	30.5	Very low	30.6	Very low	152 Å²	152	159.2 Å²	159.2	81%	0.813	82%	0.823	S	S	*	*			trans	175.4	159.8	150.9	-92.9	-31.7	0	0	0	108.8
248	S	28.6	Very low	30.6	Very low	93 Å²	93	159.1 Å²	159.1	65%	0.65	82%	0.82	S	S	*	*			cis	-173.4	115.7	-28.8	175.9	0	0	0	0	107.8
249	L	30.7	Very low	30.4	Very low	181 Å²	181	161.2 Å²	161.2	95%	0.948	82%	0.823	S	S	*	*			trans	-140.3	80.7	173.8	-75.9	-180	0	0	0	112.1
250	K	33	Very low	30.3	Very low	199 Å²	199	161.2 Å²	161.2	87%	0.865	82%	0.823	S	S	*	*			trans	-125.3	106.3	156.3	-81.4	-172.9	177	179.5	0	109.2
251	R	33.3	Very low	29.5	Very low	244 Å²	244	161.6 Å²	161.6	92%	0.921	83%	0.829	S	S	*	*			trans	174.8	106.8	153.3	-100	163	-155.7	-108.7	6.4	111.3
252	R	31.9	Very low	29.4	Very low	250 Å²	250	162 Å²	162	94%	0.943	83%	0.832	S	S	*	*			trans	-178.5	122.3	130.5	-100.5	168.5	-167.5	-154.8	3.7	108.9
253	L	30.1	Very low	29.3	Very low	161 Å²	161	164.3 Å²	164.3	84%	0.843	84%	0.841	S	S	*	*			trans	-156.7	153.4	167.4	-117.8	177.6	0	0	0	108.1
254	L	31.6	Very low	29.3	Very low	158 Å²	158	159.2 Å²	159.2	83%	0.827	83%	0.831	S	S	*	*			trans	60.7	112.8	173.5	-55.5	177.7	0	0	0	117.3
255	R	29.3	Very low	29.2	Very low	234 Å²	234	160.7 Å²	160.7	88%	0.883	83%	0.829	S	S	*	*			trans	-142.8	75.3	150.8	-156.7	-179.1	-159.1	-164.9	5.2	110.4
256	S	28.4	Very low	29.2	Very low	104 Å²	104	158.8 Å²	158.8	73%	0.727	83%	0.827	S	S	*	*			trans	-67.5	140.5	164.9	51.9	0	0	0	0	109.9
257	V	29.7	Very low	29	Very low	117 Å²	117	156.2 Å²	156.2	71%	0.709	83%	0.828	S	S	*	*			trans	-122.8	97.5	175.4	-175.4	0	0	0	0	109.2
258	F	28.4	Very low	28.7	Very low	202 Å²	202	152.4 Å²	152.4	89%	0.886	83%	0.825	S	S	*	*			trans	-96.1	116.6	157.3	-88.1	-81.2	0	0	0	107.9
259	S	25.3	Very low	29.3	Very low	117 Å²	117	153.9 Å²	153.9	82%	0.818	83%	0.833	S	S	*	*			trans	-76.4	133.2	171.8	-64.5	0	0	0	0	110
260	S	26.5	Very low	29.1	Very low	122 Å²	122	150.2 Å²	150.2	85%	0.853	82%	0.822	S	S	*	*			trans	-131.2	128.3	167.5	55.4	0	0	0	0	109.6
261	S	27.4	Very low	28.9	Very low	126 Å²	126	148.8 Å²	148.8	88%	0.881	82%	0.823	S	S	*	*			trans	-120	148.1	171.3	50.6	0	0	0	0	108.4
262	S	26.3	Very low	28.5	Very low	118 Å²	118	145.8 Å²	145.8	83%	0.825	82%	0.82	S	S	*	*			trans	-141.4	127.2	-171.8	53.3	0	0	0	0	112.2
263	V	26.1	Very low	28.4	Very low	138 Å²	138	141.9 Å²	141.9	84%	0.836	82%	0.815	S	S	*	*			trans	-143	107.1	174.3	-179.4	0	0	0	0	110.2
264	S	28.6	Very low	28.1	Very low	92 Å²	92	143.4 Å²	143.4	64%	0.643	82%	0.815	S	S	*	*			trans	28.9	117.2	156.7	65	0	0	0	0	123.6
265	N	27.4	Very low	28.9	Very low	154 Å²	154	141.1 Å²	141.1	82%	0.824	81%	0.81	S	S	*	*				53.3	124.8	123.6	-60.3	-11.7	0	0	0	123.1
266	K	27.2	Very low	28.8	Very low	198 Å²	198	138 Å²	138	86%	0.861	81%	0.811	S	S	*	*				-172	146.5	101.2	-103	172.6	-179	178.7	0	114.8
267	S	27.9	Very low	28.9	Very low	120 Å²	120	136.6 Å²	136.6	84%	0.839	81%	0.805	S	S	*	*			trans	53.3	129.2	157.1	47.9	0	0	0	0	122.4
268	G	24.2	Very low	28.8	Very low	72 Å²	72	140 Å²	140	74%	0.742	81%	0.811	S	S	*	*			trans	-95.5	-144.6	162.6	0	0	0	0	0	112.6
269	P	41.6	Very low	28.7	Very low	125 Å²	125	139.8 Å²	139.8	81%	0.812	81%	0.81	S	S	*	*			cis	-143.3	174.6	26.5	43.6	-25.7	0	0	0	118.6
270	S	27.1	Very low	28.9	Very low	104 Å²	104	145.4 Å²	145.4	73%	0.727	81%	0.814	S	S	*	*			trans	68.6	149.5	155.2	-122.8	0	0	0	0	118.4
271	L	27.8	Very low	29.4	Very low	169 Å²	169	145.4 Å²	145.4	89%	0.885	81%	0.81	S	S	*	*			cis	-128.1	172.2	22.5	-85	161.3	0	0	0	114.7
272	Q	26.5	Very low	29.4	Very low	181 Å²	181	148.8 Å²	148.8	85%	0.846	81%	0.812	S	S	*	*			trans	-112.7	149.8	-174.8	-52.7	172.3	-8.1	0	0	113
273	I	28.2	Very low	29.5	Very low	167 Å²	167	152 Å²	152	86%	0.856	81%	0.814	S	S	*	*			trans	-146.7	144.2	135.4	-60.4	-169.6	0	0	0	109
274	K	25.1	Very low	29.6	Very low	193 Å²	193	158.1 Å²	158.1	84%	0.839	82%	0.822	S	S	*	*			trans	-147.2	-177	165.3	-70.1	-170.3	173.8	-178.4	0	108.4
275	P	48.4	Very low	29.4	Very low	110 Å²	110	156.9 Å²	156.9	71%	0.714	82%	0.824	S	S	*	*				-131.4	176.3	-72.4	41	-25.6	0	0	0	112.7
276	N	26.6	Very low	29.5	Very low	169 Å²	169	155.4 Å²	155.4	90%	0.904	83%	0.826	S	S	*	*			trans	-166.1	175.9	139	-107.9	-23.9	0	0	0	113.3
277	A	30.2	Very low	30.2	Very low	74 Å²	74	152.1 Å²	152.1	61%	0.612	83%	0.825	S	S	*	*			trans	-146.3	179.8	-141.6	0	0	0	0	0	116.6
278	F	28.1	Very low	30.2	Very low	188 Å²	188	157.6 Å²	157.6	83%	0.825	83%	0.827	S	S	*	*			trans	69.2	144.1	178.8	-58.4	-90.5	0	0	0	114.6
279	F	26.9	Very low	30.7	Very low	199 Å²	199	159.2 Å²	159.2	87%	0.873	83%	0.827	S	S	*	*			cis	-143.5	-175.6	34.3	-116.6	-86.7	0	0	0	114.5
280	R	28.1	Very low	30.8	Very low	235 Å²	235	159.7 Å²	159.7	89%	0.887	83%	0.83	S	S	*	*			trans	-92.2	164	177.4	-114.1	-168.8	164.9	177.3	-4.7	113.2
281	P	38.8	Very low	30.9	Very low	121 Å²	121	159.6 Å²	159.6	79%	0.786	84%	0.836	S	S	*	*			trans	-97.3	172.7	-170.1	39.7	-36.7	0	0	0	114.9
282	Q	26.3	Very low	30.9	Very low	197 Å²	197	156.4 Å²	156.4	92%	0.921	83%	0.834	S	S	*	*			trans	-140.2	161.2	169.2	-136.5	175.9	12.1	0	0	112.1
283	Q	28.9	Very low	31	Very low	185 Å²	185	157.8 Å²	157.8	86%	0.864	84%	0.837	S	S	*	*			trans	-96.6	160.6	179	-63.5	171.5	-29	0	0	111.4
284	W	28.1	Very low	31	Very low	267 Å²	267	154.1 Å²	154.1	100%	1.011	83%	0.831	S	S	*	*			trans	-140.9	161	160.2	-109.6	-33.1	0	0	0	112.9
285	G	24.7	Very low	31.2	Very low	66 Å²	66	153.8 Å²	153.8	68%	0.68	83%	0.833	S	S	*	*			trans	-137.7	-173.7	-177.3	0	0	0	0	0	113
286	S	29.7	Very low	30.4	Very low	123 Å²	123	154.4 Å²	154.4	86%	0.86	84%	0.84	S	S	*	*			trans	-75.8	153.5	-166.1	-36.8	0	0	0	0	116.1
287	P	40.9	Very low	30.5	Very low	129 Å²	129	154.4 Å²	154.4	84%	0.838	84%	0.839	S	S	*	*			trans	-95.6	176.7	156.9	35.8	-30	0	0	0	113
288	R	29.2	Very low	31.2	Very low	235 Å²	235	156.5 Å²	156.5	89%	0.887	85%	0.846	S	S	*	*			trans	-129.2	152	-176.6	-74.5	178.6	169	-177.4	-3.2	112.9
289	S	33.7	Very low	31.2	Very low	107 Å²	107	152.5 Å²	152.5	75%	0.748	84%	0.842	S	S	*	*			trans	34.3	151.2	138.9	-49.6	0	0	0	0	122.5
290	P	43.4	Very low	31.3	Very low	134 Å²	134	150.9 Å²	150.9	87%	0.87	84%	0.843	S	S	*	*				-128.9	-168.7	97.8	37.7	-30.2	0	0	0	113.9
291	A	30	Very low	31.5	Very low	103 Å²	103	148 Å²	148	85%	0.851	84%	0.839	S	S	*	*			trans	-149.5	167.7	-165.6	0	0	0	0	0	115.3
292	A	27.1	Very low	31.7	Very low	102 Å²	102	148.5 Å²	148.5	84%	0.843	84%	0.842	S	S	*	*			trans	-143.9	177.3	172.8	0	0	0	0	0	112.2
293	K	29.8	Very low	31.9	Very low	210 Å²	210	142.9 Å²	142.9	91%	0.913	83%	0.829	S	S	*	*			trans	-136.3	176.8	-163.3	-83.4	-174.6	175.6	-179.5	0	114.9
294	A	27.1	Very low	32.5	Very low	89 Å²	89	140.5 Å²	140.5	74%	0.736	83%	0.83	S	S	*	*			trans	80.4	144.9	170.1	0	0	0	0	0	115.9
295	Q	30.3	Very low	32.6	Very low	186 Å²	186	133.5 Å²	133.5	87%	0.869	81%	0.813	S	S	*	*			cis	113.6	139.3	9.8	-80.8	-172.9	-41.9	0	0	114.8
296	S	30.1	Very low	32.8	Very low	124 Å²	124	140.2 Å²	140.2	87%	0.867	82%	0.823	S	S	*	*			trans	84.7	152	167.8	-2	0	0	0	0	120.8
297	L	29.7	Very low	32.9	Very low	168 Å²	168	138.6 Å²	138.6	88%	0.88	81%	0.812	S	S	*	*			trans	-92.4	172.8	173.8	-81.8	162.7	0	0	0	110
298	P	44.1	Very low	32.4	Very low	118 Å²	118	142.8 Å²	142.8	77%	0.766	81%	0.811	S	S	*	*			cis	-149.5	-155.5	40.7	44.7	-21.2	0	0	0	118
299	S	29.4	Very low	32.2	Very low	105 Å²	105	138.9 Å²	138.9	73%	0.734	81%	0.805	S	S	*	*			trans	-37.1	153.6	-172.4	-46.6	0	0	0	0	121.8
300	D	28.3	Very low	32	Very low	165 Å²	165	140.1 Å²	140.1	88%	0.882	81%	0.808	S	S	*	*				-167.2	168.8	105.6	-101.8	-16.1	0	0	0	114.3
301	Q	30.9	Very low	31.3	Very low	174 Å²	174	138 Å²	138	81%	0.813	80%	0.796	S	S	*	*			trans	-126.5	167.7	171.1	-63.8	-168.5	-25.7	0	0	110.4
302	P	43.4	Very low	31.1	Very low	131 Å²	131	142 Å²	142	85%	0.851	80%	0.797	S	S	*	*				-141.2	179.1	89.7	32.8	-14.2	0	0	0	114.9
303	A	31.8	Very low	31.1	Very low	79 Å²	79	140.9 Å²	140.9	65%	0.653	80%	0.796	S	S	*	*			trans	-86.2	-174.5	-176.8	0	0	0	0	0	114
304	P	41.6	Very low	31	Very low	136 Å²	136	135 Å²	135	88%	0.883	79%	0.794	S	S	*	*				-126.5	171.7	91.2	38.6	-33.5	0	0	0	115.3
305	D	28.6	Very low	31.2	Very low	120 Å²	120	137.2 Å²	137.2	64%	0.642	80%	0.799	S	S	*	*			trans	-104.5	152.3	-169.8	173.7	28.8	0	0	0	112.4	S307	D305-S307 PolarHBondContact OD1-N 2.92Å
306	F	30.3	Very low	31.7	Very low	206 Å²	206	133.8 Å²	133.8	90%	0.904	79%	0.793	S	S	*	*			trans	-160.4	130	131.8	-114.6	-72.8	0	0	0	111.8
307	S	31.1	Very low	31.6	Very low	90 Å²	90	135.1 Å²	135.1	63%	0.629	79%	0.785	S	S	*	*			trans	-81.7	-178.3	172.7	-59.4	0	0	0	0	111.6	D305	D305-S307 PolarHBondContact OD1-N 2.92Å
308	R	30.3	Very low	31.5	Very low	216 Å²	216	135.9 Å²	135.9	82%	0.815	78%	0.781	S	S	*	*			cis	-169.3	162.1	19.9	-156.3	177.8	169.2	169.8	-5.3	112.4
309	M	25.9	Very low	30.9	Very low	154 Å²	154	135.1 Å²	135.1	76%	0.759	78%	0.779	S	S	*	*			trans	96.8	128.8	155.4	-62.1	-172.5	157.9	0	0	118.3
310	V	28.1	Very low	31.5	Very low	133 Å²	133	136 Å²	136	81%	0.806	78%	0.782	S	S	*	*			cis	109.2	143.6	13	176.6	0	0	0	0	114.5
311	S	28.8	Very low	31.7	Very low	89 Å²	89	134.6 Å²	134.6	62%	0.622	78%	0.78	S	S	*	*			trans	79.9	120.9	-175.2	-70.4	0	0	0	0	115.2
312	E	26.5	Very low	31.7	Very low	187 Å²	187	132.1 Å²	132.1	87%	0.874	78%	0.776	S	S	*	*				70.7	136.1	68.9	-67.5	175.6	130.5	0	0	112.9
313	G	26.5	Very low	31	Very low	79 Å²	79	133 Å²	133	81%	0.814	77%	0.769	S	S	*	*			cis	173.3	-177.5	-2.4	0	0	0	0	0	110.9
314	G	27.5	Very low	31	Very low	85 Å²	85	138 Å²	138	88%	0.876	78%	0.776	S	S	*	*			trans	109.4	125.7	163.1	0	0	0	0	0	118.2
315	T	31.7	Very low	30.6	Very low	136 Å²	136	135.5 Å²	135.5	83%	0.834	77%	0.767	S	S	*	*			trans	-93.2	155.8	153.7	59	0	0	0	0	108.2
316	P	40.2	Very low	30.7	Very low	115 Å²	115	138 Å²	138	75%	0.747	78%	0.778	S	S	*	*				-158.8	161.1	89.5	41.1	-21.2	0	0	0	118.9
317	Q	28.1	Very low	30.6	Very low	152 Å²	152	132.5 Å²	132.5	71%	0.71	77%	0.771	S	S	*	*			trans	44.4	137.2	139.2	-69.1	-165.1	1.5	0	0	125.8
318	K	28.1	Very low	30.6	Very low	183 Å²	183	136.1 Å²	136.1	80%	0.796	78%	0.782	S	S	*	*			trans	87.7	147.2	135.6	-80.3	165.5	-179.4	156.9	0	121.5
319	S	31.7	Very low	31.5	Very low	102 Å²	102	132 Å²	132	71%	0.713	78%	0.784	S	S	*	*			trans	-92.9	171.9	171.2	52.4	0	0	0	0	111.8
320	P	42.5	Very low	32	Very low	124 Å²	124	134.3 Å²	134.3	81%	0.805	79%	0.793	S	S	*	*				-145.7	-174.6	103.1	39.5	-24.1	0	0	0	115.2
321	T	32.8	Very low	32	Very low	136 Å²	136	131.8 Å²	131.8	83%	0.834	79%	0.793	S	S	*	*			trans	-118.1	146.4	-177.2	-49.5	0	0	0	0	111.1
322	V	30.1	Very low	32.2	Very low	121 Å²	121	139 Å²	139	73%	0.733	81%	0.806	S	S	*	*			trans	-140.3	113.3	177	174.4	0	0	0	0	112.5
323	E	29.2	Very low	32.9	Very low	149 Å²	149	135.6 Å²	135.6	70%	0.696	80%	0.801	S	S	*	*			trans	54.4	123.7	135.8	-58.8	-151.3	117.3	0	0	122
324	K	31.9	Very low	33.2	Very low	186 Å²	186	136.6 Å²	136.6	81%	0.809	80%	0.795	S	S	*	*				77.7	143.6	75.9	-93.2	-178.9	-174.5	165.2	0	114.1
325	A	32.7	Very low	34.1	Very low	82 Å²	82	138.2 Å²	138.2	68%	0.678	79%	0.791	S	S	*	*			cis	-160.6	-166.9	1.8	0	0	0	0	0	112.5
326	I	30.6	Very low	33.9	Very low	172 Å²	172	136.8 Å²	136.8	88%	0.882	79%	0.792	S	S	*	*			trans	104.6	132.1	160.7	-57.1	163.4	0	0	0	113.2
327	A	29.3	Very low	33.3	Very low	91 Å²	91	135 Å²	135	75%	0.752	80%	0.795	S	S	*	*			cis	178.8	175.5	-16.8	0	0	0	0	0	106.7
328	L	30.2	Very low	33.2	Very low	167 Å²	167	133.5 Å²	133.5	87%	0.874	80%	0.801	S	S	*	*			trans	-131.5	160.8	-179.3	-81	167.8	0	0	0	112
329	P	48.8	Very low	33.7	Very low	129 Å²	129	131.3 Å²	131.3	84%	0.838	81%	0.806	S	S	*	*				-143.1	-161.7	111.2	36.6	-19.2	0	0	0	115.3
330	Q	37	Very low	33.5	Very low	203 Å²	203	137.6 Å²	137.6	95%	0.949	81%	0.814	S	S	*	*			trans	-117.2	167.3	-154.9	-57.6	172.2	-17.6	0	0	115.6
331	G	27.2	Very low	32.8	Very low	79 Å²	79	138.1 Å²	138.1	81%	0.814	81%	0.81	S	S	*	*			trans	-173.8	143.7	165.3	0	0	0	0	0	116.3
332	R	32.8	Very low	32.6	Very low	240 Å²	240	141.9 Å²	141.9	91%	0.906	81%	0.809	S	S	*	*			trans	-143	171.2	171	-116.6	-163.7	174.9	-170.7	0.2	107.2
333	P	43	Very low	32.4	Very low	116 Å²	116	143.3 Å²	143.3	75%	0.753	81%	0.808	S	S	*	*			cis	-134.3	-166.6	15.4	41.6	-21.6	0	0	0	115.7
334	S	32.9	Very low	32.5	Very low	100 Å²	100	142.4 Å²	142.4	70%	0.699	81%	0.812	S	S	*	*			trans	-81.5	-175.6	170.5	-30	0	0	0	0	111.7
335	P	44.9	Very low	32.4	Very low	120 Å²	120	142.3 Å²	142.3	78%	0.779	82%	0.815	S	S	*	*			cis	-148.9	-173.4	22	45.2	-23.9	0	0	0	119.7
336	A	28.4	Very low	31.9	Very low	105 Å²	105	143.8 Å²	143.8	87%	0.868	82%	0.815	S	S	*	*			trans	83	150	147.2	0	0	0	0	0	122
337	G	26.1	Very low	31.7	Very low	79 Å²	79	141.2 Å²	141.2	81%	0.814	81%	0.813	S	S	*	*			trans	123.1	88.8	153.4	0	0	0	0	0	118.6
338	S	27.8	Very low	31.6	Very low	119 Å²	119	141.6 Å²	141.6	83%	0.832	81%	0.81	S	S	*	*			trans	-89.6	161.8	155.8	-49.9	0	0	0	0	110.2
339	P	38.1	Very low	31.4	Very low	137 Å²	137	138.6 Å²	138.6	89%	0.89	80%	0.803	S	S	*	*				-141.6	-155	104.8	39.5	-25.4	0	0	0	113.8
340	R	27.2	Very low	30.5	Very low	235 Å²	235	139.2 Å²	139.2	89%	0.887	80%	0.799	S	S	*	*			trans	-151.8	151.2	-151.2	-169.7	-162.1	177.3	179	-0.3	111.3
341	N	28	Very low	30	Very low	135 Å²	135	136.5 Å²	136.5	72%	0.722	79%	0.791	S	S	*	*			trans	76.8	119.5	152.1	-144.8	31.4	0	0	0	120.1
342	R	27.3	Very low	30.1	Very low	215 Å²	215	141.5 Å²	141.5	81%	0.811	79%	0.792	S	S	*	*				-179.8	121.6	127.6	-100.9	-170.3	158.3	156.5	0.8	109.4
343	Q	27.6	Very low	29.8	Very low	151 Å²	151	137.4 Å²	137.4	71%	0.706	79%	0.788	S	S	*	*				88.3	138.9	80.6	-81.1	-167.9	-73.1	0	0	114.6
344	T	30.1	Very low	29.7	Very low	129 Å²	129	137.3 Å²	137.3	79%	0.791	79%	0.787	S	S	*	*			trans	-91	138.5	-170.5	46.9	0	0	0	0	114.2
345	Q	29.7	Very low	29.5	Very low	184 Å²	184	142.3 Å²	142.3	86%	0.86	80%	0.799	S	S	*	*			trans	-142.8	122.4	153.5	-67.3	-173.9	-11.7	0	0	106
346	T	23.7	Very low	28.6	Very low	113 Å²	113	143.9 Å²	143.9	69%	0.693	80%	0.801	S	S	*	*				77.1	110.1	53.7	64.9	0	0	0	0	114.9
347	S	24.7	Very low	28.7	Very low	119 Å²	119	144 Å²	144	83%	0.832	80%	0.795	S	S	*	*			trans	72.4	153.2	155	-54.8	0	0	0	0	117.3
348	S	26.9	Very low	28.8	Very low	99 Å²	99	146.1 Å²	146.1	69%	0.692	80%	0.798	S	S	*	*			cis	-175.2	151.8	-17.7	47.3	0	0	0	0	111.1
349	S	26.7	Very low	29.5	Very low	104 Å²	104	145.4 Å²	145.4	73%	0.727	80%	0.799	S	S	*	*			trans	67.7	162.1	164.5	82.5	0	0	0	0	116.2
350	N	29.2	Very low	29.2	Very low	142 Å²	142	148.1 Å²	148.1	76%	0.759	80%	0.797	S	S	*	*			cis	-148.9	164.6	15	-123.9	-31.4	0	0	0	114.5
351	L	28.2	Very low	29.7	Very low	146 Å²	146	140.8 Å²	140.8	76%	0.764	80%	0.795	S	S	*	*			trans	-40.4	143	175.1	-64.3	146.8	0	0	0	118.9
352	H	28.6	Very low	30	Very low	184 Å²	184	143.2 Å²	143.2	85%	0.852	80%	0.802	S	S	*	*				-165.2	153.2	121.8	-110.1	72.1	0	0	0	114.7
353	L	26.9	Very low	30.3	Very low	154 Å²	154	141 Å²	141	81%	0.806	81%	0.805	S	S	*	*			trans	-129.1	176.3	165.5	-113.2	78.9	0	0	0	106.7
354	P	39.9	Very low	30.8	Very low	113 Å²	113	138.4 Å²	138.4	73%	0.734	81%	0.809	S	S	*	*			cis	-126.3	176.2	-11.6	40.6	-26.9	0	0	0	113.1
355	Q	29.1	Very low	31.2	Very low	206 Å²	206	136.2 Å²	136.2	96%	0.963	80%	0.799	S	S	*	*			trans	-157.9	160.3	145.9	-124.6	176.3	6.6	0	0	111.9
356	D	27.3	Very low	32.1	Very low	152 Å²	152	137.1 Å²	137.1	81%	0.813	80%	0.803	S	S	*	*			trans	-114	157	-153.2	-133.4	-38.4	0	0	0	115.5
357	S	28.6	Very low	32.9	Very low	107 Å²	107	136.6 Å²	136.6	75%	0.748	80%	0.796	S	S	*	*			trans	54.5	108.5	160.7	64.1	0	0	0	0	120.6
358	S	28.9	Very low	34.1	Very low	124 Å²	124	136.2 Å²	136.2	87%	0.867	79%	0.791	S	S	*	*				-153.9	132.5	125.6	59	0	0	0	0	110.7
359	A	41.8	Very low	35.6	Very low	104 Å²	104	137.6 Å²	137.6	86%	0.86	80%	0.795	S	S	*	*			trans	-89.9	119.1	-173.2	0	0	0	0	0	112.1
360	K	32.4	Very low	37.8	Very low	194 Å²	194	138.1 Å²	138.1	84%	0.843	79%	0.794	S	S	*	*			trans	-136.7	105.2	158.9	-77.3	-173.8	177.5	174	0	109.4	Q362	K360-Q362 PolarHBondContact O-N 2.96Å
361	G	38.4	Very low	40.3	Very low	82 Å²	82	134.8 Å²	134.8	85%	0.845	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-64.9	120.3	173	0	0	0	0	0	110.3
362	Q	34.3	Very low	43.3	Very low	185 Å²	185	131.1 Å²	131.1	86%	0.864	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-97.1	127.7	167.5	-70.3	-174.7	-17.6	0	0	108.4	K360 A364	K360-Q362 PolarHBondContact O-N 2.96Å; Q362-A364 PolarHBondContact O-N 3.07Å
363	L	34.3	Very low	46.3	Very low	170 Å²	170	124.3 Å²	124.3	89%	0.89	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-59.9	128.7	175.2	-89.1	59.5	0	0	0	109	S365	L363-S365 PolarHBondContact O-N 3.14Å
364	A	36.9	Very low	49.5	Very low	95 Å²	95	121.1 Å²	121.1	79%	0.785	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-64.5	129.7	161	0	0	0	0	0	108.6	Q362	Q362-A364 PolarHBondContact O-N 3.07Å
365	S	38.8	Very low	52.1	Low	84 Å²	84	120.7 Å²	120.7	59%	0.587	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-63.5	138.2	159.6	30.7	0	0	0	0	109.1	L363 D367	L363-S365 PolarHBondContact O-N 3.14Å; S365-D367 VanDerWaalsContact CB-OD2 3.29Å; S365-D367 WeakPolarHBondContact CB-OD2 3.42Å; S365-D367 PolarHBondContact O-N 2.68Å; S365-D367 PolarHBondContact OG-OD2 3.14Å
366	E	47.7	Very low	55.1	Low	202 Å²	202	111.4 Å²	111.4	94%	0.944	66%	0.656	S	S	*	*			trans	-74.6	72.2	159.4	-72	-158.6	136.9	0	0	108.9
367	D	41.5	Very low	58.3	Low	102 Å²	102	105 Å²	105	55%	0.545	62%	0.621	S	S	.	*			trans	-59.7	147.3	161.6	-77.8	-73.9	0	0	0	109.7	S365 V369	S365-D367 VanDerWaalsContact CB-OD2 3.29Å; S365-D367 WeakPolarHBondContact CB-OD2 3.42Å; S365-D367 PolarHBondContact O-N 2.68Å; S365-D367 PolarHBondContact OG-OD2 3.14Å; D367-V369 PolarHBondContact O-N 2.95Å
368	P	49.8	Very low	61.5	Low	112 Å²	112	101.9 Å²	101.9	73%	0.727	60%	0.602	S	S	*	*			trans	-58.6	117	-178.9	24.8	-34.5	0	0	0	109.8	V370	P368-V370 VanDerWaalsContact O-CG2 3.31Å; P368-V370 WeakPolarHBondContact O-CG2 3.49Å; P368-V370 PolarHBondContact O-N 3.07Å
369	V	57.8	Low	64.6	Low	128 Å²	128	97.9 Å²	97.9	78%	0.776	58%	0.576	S	S	*	*			trans	-41.7	97.3	-165.6	-177.3	0	0	0	0	112.4	D367 V371	D367-V369 PolarHBondContact O-N 2.95Å; V369-V371 PolarHBondContact O-N 2.98Å
370	V	72.8	Confident	67.1	Low	114 Å²	114	92.9 Å²	92.9	69%	0.691	54%	0.535	S	S	*	.			trans	-75.3	98.1	-178.3	-176.8	0	0	0	0	107.6	P368 T372	P368-V370 VanDerWaalsContact O-CG2 3.31Å; P368-V370 WeakPolarHBondContact O-CG2 3.49Å; P368-V370 PolarHBondContact O-N 3.07Å; V370-T372 PolarHBondContact O-N 2.82Å
371	V	82.5	Confident	70.1	Confident	72 Å²	72	89.4 Å²	89.4	44%	0.436	52%	0.517	S	S	.	.			trans	-46.2	118.1	175.4	-179	0	0	0	0	108.6	V369 Q375 F376 R432	V369-V371 PolarHBondContact O-N 2.98Å; V371-Q375 HydrophobicContact CG1-CB 3.77Å; V371-F376 HydrophobicContact CG1-CB 4.03Å; V371-R432 PolarHBondContact O-NH2 3.08Å
372	T	91.9	Very high	72.8	Confident	69 Å²	69	93.4 Å²	93.4	42%	0.423	52%	0.515	S	S	.	.			trans	-68.7	164.6	-175.7	73.9	0	0	0	0	110.6	V370 E374 Q375 F376	V370-T372 PolarHBondContact O-N 2.82Å; T372-E374 VanDerWaalsContact C-N 3.32Å; T372-E374 PolarHBondContact O-N 3Å; T372-Q375 PolarHBondContact O-N 2.91Å; T372-Q375 WeakPolarHBondContact OG1-CB 3.4Å; T372-Q375 VanDerWaalsContact OG1-CG 3.31Å; T372-Q375 WeakPolarHBondContact OG1-CG 3.39Å; T372-Q375 PolarHBondContact OG1-N 3.04Å; T372-Q375 VanDerWaalsContact OG1-N 3.13Å; T372-F376 WeakPolarHBondContact O-CB 3.47Å; T372-F376 PolarHBondContact O-N 2.74Å
373	H	91.4	Very high	75.7	Confident	41 Å²	41	86.4 Å²	86.4	19%	0.19	49%	0.485	C	S	.	.	H	α-helix	trans	-58.4	-44.7	175.9	-171.3	71.5	0	0	0	112.1	F376 K377 R427 E461	H373-F376 PolarHBondContact O-N 2.92Å; H373-K377 WeakPolarHBondContact O-CB 3.4Å; H373-K377 PolarHBondContact O-N 2.93Å; H373-R427 VanDerWaalsContact CE1-CG 3.49Å; H373-R427 WeakPolarHBondContact CE1-CG 3.17Å; H373-E461 IonicContact CD2-OE2 3.2Å; H373-E461 IonicContact CE1-OE2 3.66Å; H373-E461 IonicContact NE2-OE2 2.74Å; H373-E461 PolarHBondContact NE2-OE2 2.66Å
374	E	92.7	Very high	78.6	Confident	88 Å²	88	79.2 Å²	79.2	41%	0.411	45%	0.449	S	S	.	.	H	α-helix	trans	-70.6	-31.9	177.9	-68.9	-52.2	125.3	0	0	113.3	T372 K377 A378 R381	T372-E374 VanDerWaalsContact C-N 3.32Å; T372-E374 PolarHBondContact O-N 3Å; E374-K377 IonicContact OE1-NZ 2.64Å; E374-A378 WeakPolarHBondContact O-CB 3.26Å; E374-A378 PolarHBondContact O-N 3.47Å; E374-R381 IonicContact OE2-NH1 3.85Å; E374-R381 IonicContact OE2-NH2 3.76Å
375	Q	94.1	Very high	81.5	Confident	103 Å²	103	77.1 Å²	77.1	48%	0.481	42%	0.424	S	S	.	.	H	α-helix	trans	-64.5	-47.2	171.3	-76.5	170.4	-14.9	0	0	111.7	V371 T372 K377 A378 A379	V371-Q375 HydrophobicContact CG1-CB 3.77Å; T372-Q375 PolarHBondContact O-N 2.91Å; T372-Q375 WeakPolarHBondContact OG1-CB 3.4Å; T372-Q375 VanDerWaalsContact OG1-CG 3.31Å; T372-Q375 WeakPolarHBondContact OG1-CG 3.39Å; T372-Q375 PolarHBondContact OG1-N 3.04Å; T372-Q375 VanDerWaalsContact OG1-N 3.13Å; Q375-K377 PolarHBondContact O-N 2.77Å; Q375-A378 PolarHBondContact O-N 3.05Å; Q375-A379 PolarHBondContact O-N 3.1Å
376	F	93.4	Very high	84.2	Confident	11 Å²	11	82.1 Å²	82.1	5%	0.048	44%	0.438	C	S	.	.	H	α-helix	trans	-60.5	-46	175.9	169.9	-96.5	0	0	0	111.3	V371 T372 H373 A378 A379 L380 L426 R432 L435 F436	V371-F376 HydrophobicContact CG1-CB 4.03Å; T372-F376 WeakPolarHBondContact O-CB 3.47Å; T372-F376 PolarHBondContact O-N 2.74Å; H373-F376 PolarHBondContact O-N 2.92Å; F376-A378 PolarHBondContact O-N 3.25Å; F376-A379 PolarHBondContact O-N 3.03Å; F376-L380 HydrophobicContact CE1-CD2 4.33Å; F376-L380 HydrophobicContact CZ-CD2 4.36Å; F376-L380 PolarHBondContact O-N 3.48Å; F376-L426 HydrophobicContact CD1-CD2 4.19Å; F376-L426 HydrophobicContact CE1-CB 4.4Å; F376-L426 HydrophobicContact CE1-CD2 3.83Å; F376-L426 HydrophobicContact CE1-CG 3.91Å; F376-R432 HydrophobicContact CD1-CG 4.16Å; F376-R432 HydrophobicContact CD2-CG 4.04Å; F376-R432 HydrophobicContact CE1-CB 3.93Å; F376-R432 HydrophobicContact CE1-CG 3.95Å; F376-R432 HydrophobicContact CE2-CB 4.22Å; F376-R432 HydrophobicContact CE2-CG 3.83Å; F376-R432 WeakPolarHBondContact CE2-O 3.4Å; F376-R432 HydrophobicContact CG-CG 4.21Å; F376-R432 HydrophobicContact CZ-CB 3.75Å; F376-R432 HydrophobicContact CZ-CG 3.81Å; F376-R432 WeakPolarHBondContact CZ-O 3.13Å; F376-L435 HydrophobicContact CE1-CD1 4.44Å; F376-L435 HydrophobicContact CZ-CB 4.47Å; F376-L435 HydrophobicContact CZ-CD1 4.24Å; F376-F436 HydrophobicContact CD2-CE2 4.04Å; F376-F436 HydrophobicContact CE2-CD2 4.11Å; F376-F436 AromaticContact CE2-CE2 3.53Å; F376-F436 HydrophobicContact CE2-CE2 3.53Å; F376-F436 HydrophobicContact CE2-CZ 4.41Å; F376-F436 HydrophobicContact CZ-CE2 4.36Å
377	K	94.9	Very high	86.4	Confident	17 Å²	17	75.3 Å²	75.3	7%	0.074	42%	0.422	C	S	.	.	H	α-helix	trans	-64.2	-38.8	177.9	-170	-178.5	178.6	-176.8	0	112.1	H373 E374 Q375 L380 R381 L426 L458 G460 E461	H373-K377 WeakPolarHBondContact O-CB 3.4Å; H373-K377 PolarHBondContact O-N 2.93Å; E374-K377 IonicContact OE1-NZ 2.64Å; Q375-K377 PolarHBondContact O-N 2.77Å; K377-L380 PolarHBondContact O-N 3Å; K377-R381 WeakPolarHBondContact O-CG 3.33Å; K377-R381 PolarHBondContact O-N 3.42Å; K377-L426 HydrophobicContact CB-CD2 4.22Å; K377-L426 HydrophobicContact CG-CD2 3.99Å; K377-L458 HydrophobicContact CD-CD2 4.42Å; K377-L458 HydrophobicContact CG-CD2 3.63Å; K377-G460 WeakPolarHBondContact CE-O 3.2Å; K377-G460 PolarHBondContact NZ-O 2.74Å; K377-E461 IonicContact NZ-OE1 3.86Å; K377-E461 PolarHBondContact NZ-OE1 3.1Å
378	A	94.6	Very high	89	Confident	42 Å²	42	72.8 Å²	72.8	35%	0.347	41%	0.409	S	S	.	.	H	α-helix	trans	-65.8	-43.1	173.8	0	0	0	0	0	112	E374 Q375 F376 L380 R381 M382	E374-A378 WeakPolarHBondContact O-CB 3.26Å; E374-A378 PolarHBondContact O-N 3.47Å; Q375-A378 PolarHBondContact O-N 3.05Å; F376-A378 PolarHBondContact O-N 3.25Å; A378-L380 VanDerWaalsContact C-N 3.3Å; A378-L380 PolarHBondContact O-N 3.48Å; A378-R381 WeakPolarHBondContact O-CB 3.46Å; A378-R381 PolarHBondContact O-N 2.93Å; A378-M382 PolarHBondContact O-N 3.31Å
379	A	95	Very high	91.2	Very high	40 Å²	40	67.4 Å²	67.4	33%	0.331	37%	0.374	S	S	.	.	H	α-helix	trans	-61.8	-38.2	173.3	0	0	0	0	0	112	Q375 F376 M382 F436	Q375-A379 PolarHBondContact O-N 3.1Å; F376-A379 PolarHBondContact O-N 3.03Å; A379-M382 WeakPolarHBondContact O-CB 3.29Å; A379-M382 PolarHBondContact O-N 3.12Å; A379-M382 VanDerWaalsContact O-N 3.16Å; A379-F436 HydrophobicContact CB-CZ 3.91Å
380	L	93.9	Very high	93	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-68.7	-34.6	175.9	-162.9	63	0	0	0	112.4	F376 K377 A378 M382 V383 L426 L435 F436 L458 L463	F376-L380 HydrophobicContact CE1-CD2 4.33Å; F376-L380 HydrophobicContact CZ-CD2 4.36Å; F376-L380 PolarHBondContact O-N 3.48Å; K377-L380 PolarHBondContact O-N 3Å; A378-L380 VanDerWaalsContact C-N 3.3Å; A378-L380 PolarHBondContact O-N 3.48Å; L380-M382 PolarHBondContact O-N 2.89Å; L380-V383 HydrophobicContact CD1-CG2 3.94Å; L380-V383 WeakPolarHBondContact O-CG2 3.11Å; L380-V383 PolarHBondContact O-N 2.92Å; L380-L426 HydrophobicContact CD2-CD1 4.19Å; L380-L426 HydrophobicContact CD2-CD2 4.04Å; L380-L426 HydrophobicContact CD2-CG 4.2Å; L380-L435 HydrophobicContact CD2-CD1 4.5Å; L380-F436 HydrophobicContact CB-CE1 4.39Å; L380-F436 HydrophobicContact CB-CZ 4.24Å; L380-F436 HydrophobicContact CD1-CD1 3.82Å; L380-F436 HydrophobicContact CD1-CE1 3.72Å; L380-F436 HydrophobicContact CD1-CG 4.26Å; L380-F436 HydrophobicContact CD1-CZ 4.09Å; L380-L458 HydrophobicContact CD2-CD1 4.24Å; L380-L463 HydrophobicContact CD2-CB 4.23Å; L380-L463 HydrophobicContact CD2-CD1 4.36Å; L380-L463 HydrophobicContact CD2-CD2 4.36Å
381	R	95.6	Very high	94.1	Very high	120 Å²	120	66.7 Å²	66.7	45%	0.453	36%	0.356	S	S	.	.	H	α-helix	trans	-59	-22.5	170.4	-71.2	177.6	-171.8	105.3	-13.1	113.4	E374 K377 A378 L458	E374-R381 IonicContact OE2-NH1 3.85Å; E374-R381 IonicContact OE2-NH2 3.76Å; K377-R381 WeakPolarHBondContact O-CG 3.33Å; K377-R381 PolarHBondContact O-N 3.42Å; A378-R381 WeakPolarHBondContact O-CB 3.46Å; A378-R381 PolarHBondContact O-N 2.93Å; R381-L458 HydrophobicContact CG-CD2 3.47Å; R381-L458 VanDerWaalsContact CG-CD2 3.47Å
382	M	94.3	Very high	94.6	Very high	166 Å²	166	66.6 Å²	66.6	82%	0.818	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-10.9	-179.5	-63.5	175.5	66.1	0	0	114.1	A378 A379 L380	A378-M382 PolarHBondContact O-N 3.31Å; A379-M382 WeakPolarHBondContact O-CB 3.29Å; A379-M382 PolarHBondContact O-N 3.12Å; A379-M382 VanDerWaalsContact O-N 3.16Å; L380-M382 PolarHBondContact O-N 2.89Å
383	V	95.1	Very high	94.9	Very high	38 Å²	38	63.4 Å²	63.4	23%	0.23	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-10.2	-176.9	-58.8	0	0	0	0	114.7	L380 F436 V439	L380-V383 HydrophobicContact CD1-CG2 3.94Å; L380-V383 WeakPolarHBondContact O-CG2 3.11Å; L380-V383 PolarHBondContact O-N 2.92Å; V383-F436 HydrophobicContact CG1-CD1 4.4Å; V383-F436 HydrophobicContact CG1-CE1 4.27Å; V383-F436 HydrophobicContact CG2-CD1 3.86Å; V383-F436 HydrophobicContact CG2-CE1 3.87Å; V383-V439 HydrophobicContact CB-CG1 4.5Å; V383-V439 HydrophobicContact CG2-CG1 4.26Å; V383-V439 WeakPolarHBondContact O-CG1 3.5Å
384	V	96.7	Very high	95.1	Very high	20 Å²	20	64.6 Å²	64.6	12%	0.121	34%	0.338	C	S	.	.	S	Bend	trans	-99.2	161.8	-179.5	-60.3	0	0	0	0	112.2	V439 S456 L458 L463	V384-V439 HydrophobicContact CG1-CG2 4.21Å; V384-S456 WeakPolarHBondContact CA-OG 3.4Å; V384-L458 HydrophobicContact CG2-CB 4.27Å; V384-L463 HydrophobicContact CG1-CD1 3.69Å
385	D	97.3	Very high	95.2	Very high	50 Å²	50	65.6 Å²	65.6	27%	0.267	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-62.2	148.8	169.2	-61.3	-108.2	0	0	0	111.5	K455 S456 Y457	D385-K455 WeakPolarHBondContact OD1-CD 3.36Å; D385-K455 IonicContact OD1-NZ 3.83Å; D385-K455 PolarHBondContact OD1-NZ 3.2Å; D385-K455 WeakPolarHBondContact OD2-CA 3.42Å; D385-K455 WeakPolarHBondContact OD2-CB 3.32Å; D385-S456 WeakPolarHBondContact CA-O 3.45Å; D385-S456 WeakPolarHBondContact CB-O 3.41Å; D385-S456 PolarHBondContact N-O 3.36Å; D385-S456 PolarHBondContact OD2-N 2.83Å; D385-S456 VanDerWaalsContact OD2-O 3.13Å; D385-Y457 HydrophobicContact CB-CD1 3.92Å; D385-Y457 HydrophobicContact CB-CE1 3.7Å
386	Q	95.4	Very high	95.3	Very high	189 Å²	189	64.4 Å²	64.4	88%	0.883	34%	0.338	S	S	*	.	S	Bend	trans	-84.4	151	172.6	-60.4	-174.5	17.1	0	0	111.6
387	G	94.5	Very high	95.4	Very high	60 Å²	60	68.1 Å²	68.1	62%	0.619	36%	0.361	S	S	*	.	S	Bend	trans	107.5	-167	178.8	0	0	0	0	0	113.2
388	D	95.3	Very high	95.4	Very high	48 Å²	48	72.2 Å²	72.2	26%	0.257	38%	0.379	S	S	.	.			trans	-127.2	114.8	-177.5	-173.7	-23.7	0	0	0	110.5	R390 T391	D388-R390 PolarHBondContact O-N 3.36Å; D388-R390 VanDerWaalsContact O-N 3.14Å; D388-R390 WeakPolarHBondContact OD1-CB 3.45Å; D388-R390 VanDerWaalsContact OD1-CG 3.26Å; D388-R390 WeakPolarHBondContact OD1-CG 3.35Å; D388-R390 IonicContact OD1-CZ 3.01Å; D388-R390 PolarHBondContact OD1-N 2.83Å; D388-R390 IonicContact OD1-NE 2.84Å; D388-R390 PolarHBondContact OD1-NE 2.8Å; D388-R390 IonicContact OD1-NH2 2.7Å; D388-R390 IonicContact OD2-CZ 3.9Å; D388-R390 VanDerWaalsContact OD2-CZ 3.25Å; D388-R390 IonicContact OD2-NE 3.82Å; D388-R390 PolarHBondContact OD2-NE 3.22Å; D388-R390 IonicContact OD2-NH2 2.7Å; D388-R390 PolarHBondContact OD2-NH2 2.94Å; D388-T391 HydrophobicContact CB-CG2 4.33Å; D388-T391 WeakPolarHBondContact O-CB 3.18Å; D388-T391 PolarHBondContact O-N 3.05Å; D388-T391 VanDerWaalsContact O-N 3.07Å; D388-T391 PolarHBondContact O-OG1 3Å
389	P	95.6	Very high	95.1	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-64.8	-17.7	-177.2	27	-34.5	0	0	0	113.3	T391 L392 L393 Y457 V459 W464 L466	P389-T391 PolarHBondContact O-N 2.94Å; P389-L392 PolarHBondContact O-N 2.85Å; P389-L393 HydrophobicContact CB-CD1 4.38Å; P389-L393 WeakPolarHBondContact O-CB 3.33Å; P389-L393 PolarHBondContact O-N 3.33Å; P389-Y457 HydrophobicContact CB-CD2 3.72Å; P389-Y457 HydrophobicContact CB-CE2 3.82Å; P389-Y457 HydrophobicContact CB-CG 4.21Å; P389-Y457 HydrophobicContact CG-CD2 3.81Å; P389-Y457 HydrophobicContact CG-CE2 4.4Å; P389-Y457 HydrophobicContact CG-CG 3.91Å; P389-V459 HydrophobicContact CG-CG2 3.68Å; P389-W464 HydrophobicContact CB-CE3 4.28Å; P389-W464 HydrophobicContact CG-CD2 4.31Å; P389-W464 HydrophobicContact CG-CE3 3.46Å; P389-W464 VanDerWaalsContact CG-CE3 3.46Å; P389-W464 HydrophobicContact CG-CZ3 3.94Å; P389-L466 HydrophobicContact CB-CD1 4.31Å
390	R	95.5	Very high	94.6	Very high	134 Å²	134	72 Å²	72	51%	0.506	37%	0.367	S	S	.	.	H	α-helix	trans	-66.8	-20.5	175.5	-57	174	-66.4	-179.8	3.6	112.1	D388 Y396 K413 W464	D388-R390 PolarHBondContact O-N 3.36Å; D388-R390 VanDerWaalsContact O-N 3.14Å; D388-R390 WeakPolarHBondContact OD1-CB 3.45Å; D388-R390 VanDerWaalsContact OD1-CG 3.26Å; D388-R390 WeakPolarHBondContact OD1-CG 3.35Å; D388-R390 IonicContact OD1-CZ 3.01Å; D388-R390 PolarHBondContact OD1-N 2.83Å; D388-R390 IonicContact OD1-NE 2.84Å; D388-R390 PolarHBondContact OD1-NE 2.8Å; D388-R390 IonicContact OD1-NH2 2.7Å; D388-R390 IonicContact OD2-CZ 3.9Å; D388-R390 VanDerWaalsContact OD2-CZ 3.25Å; D388-R390 IonicContact OD2-NE 3.82Å; D388-R390 PolarHBondContact OD2-NE 3.22Å; D388-R390 IonicContact OD2-NH2 2.7Å; D388-R390 PolarHBondContact OD2-NH2 2.94Å; R390-Y396 WeakPolarHBondContact CA-OH 3.41Å; R390-K413 PolarHBondContact O-NZ 3.44Å; R390-W464 HydrophobicContact CG-CH2 3.71Å; R390-W464 HydrophobicContact CG-CZ3 3.77Å
391	T	95.4	Very high	94.1	Very high	93 Å²	93	76.5 Å²	76.5	57%	0.571	39%	0.388	S	S	*	.	H	α-helix	trans	-71.1	-39	169.7	65.8	0	0	0	0	111.8	D388 P389 K413	D388-T391 HydrophobicContact CB-CG2 4.33Å; D388-T391 WeakPolarHBondContact O-CB 3.18Å; D388-T391 PolarHBondContact O-N 3.05Å; D388-T391 VanDerWaalsContact O-N 3.07Å; D388-T391 PolarHBondContact O-OG1 3Å; P389-T391 PolarHBondContact O-N 2.94Å; T391-K413 VanDerWaalsContact O-CD 3.32Å; T391-K413 WeakPolarHBondContact O-CD 3.43Å; T391-K413 PolarHBondContact O-NZ 2.81Å
392	L	94.2	Very high	93.1	Very high	69 Å²	69	72.2 Å²	72.2	36%	0.361	38%	0.381	S	S	.	.	H	α-helix	trans	-88.1	-29.7	-174.2	-55.7	178.6	0	0	0	114	P389 K413 Y457	P389-L392 PolarHBondContact O-N 2.85Å; L392-K413 WeakPolarHBondContact O-CB 3.15Å; L392-K413 WeakPolarHBondContact O-CG 3.22Å; L392-K413 PolarHBondContact O-N 3.46Å; L392-Y457 WeakPolarHBondContact CD1-OH 3.21Å
393	L	96.9	Very high	92.1	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.01	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	159.2	-173.2	-61.2	-177.6	0	0	0	112.7	P389 Y396 A410 R411 E412 K413 V419 V421 L466	P389-L393 HydrophobicContact CB-CD1 4.38Å; P389-L393 WeakPolarHBondContact O-CB 3.33Å; P389-L393 PolarHBondContact O-N 3.33Å; L393-Y396 HydrophobicContact CB-CE1 4.29Å; L393-Y396 WeakPolarHBondContact CB-OH 3.16Å; L393-Y396 HydrophobicContact CD1-CE1 4.21Å; L393-A410 HydrophobicContact CB-CB 4.36Å; L393-A410 HydrophobicContact CD1-CB 4.14Å; L393-R411 CarbonylContact C-O 3.5Å; L393-R411 VanDerWaalsContact CA-O 3.29Å; L393-R411 WeakPolarHBondContact CA-O 3.32Å; L393-E412 HydrophobicContact CD2-CB 4.32Å; L393-E412 HydrophobicContact CD2-CG 3.63Å; L393-K413 WeakPolarHBondContact O-CE 3.31Å; L393-K413 PolarHBondContact O-NZ 2.98Å; L393-V419 HydrophobicContact CD1-CG2 4.21Å; L393-V419 HydrophobicContact CD2-CG2 3.77Å; L393-V421 HydrophobicContact CD1-CG2 3.74Å; L393-L466 HydrophobicContact CD1-CD2 3.82Å; L393-L466 HydrophobicContact CD1-CG 4.12Å; L393-L466 HydrophobicContact CD2-CD2 4.49Å; L393-L466 HydrophobicContact CG-CD2 4.38Å
394	E	96.8	Very high	91.5	Very high	67 Å²	67	65.5 Å²	65.5	31%	0.313	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	178	176.7	53.8	167.3	-134.2	0	0	111.4	Y396 R411 K413	E394-Y396 VanDerWaalsContact C-N 3.35Å; E394-Y396 PolarHBondContact O-N 2.93Å; E394-R411 HydrophobicContact CG-CB 4.14Å; E394-R411 WeakPolarHBondContact CG-O 3.19Å; E394-R411 PolarHBondContact N-O 2.79Å; E394-R411 PolarHBondContact O-N 2.83Å; E394-K413 HydrophobicContact CB-CG 4.26Å; E394-K413 HydrophobicContact CG-CG 3.81Å
395	N	95.4	Very high	91	Very high	109 Å²	109	65.3 Å²	65.3	58%	0.583	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56	44.6	168.2	-69.5	-48.7	0	0	0	114	V397	N395-V397 PolarHBondContact O-N 2.97Å
396	Y	96.3	Very high	90.7	Very high	77 Å²	77	65.7 Å²	65.7	30%	0.302	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	121.1	177.2	-61	-87.9	0	0	0	111.8	R390 L393 E394 I409 A410 V421 M423 W464	R390-Y396 WeakPolarHBondContact CA-OH 3.41Å; L393-Y396 HydrophobicContact CB-CE1 4.29Å; L393-Y396 WeakPolarHBondContact CB-OH 3.16Å; L393-Y396 HydrophobicContact CD1-CE1 4.21Å; E394-Y396 VanDerWaalsContact C-N 3.35Å; E394-Y396 PolarHBondContact O-N 2.93Å; Y396-I409 CarbonylContact C-O 3.6Å; Y396-I409 VanDerWaalsContact CA-O 3.31Å; Y396-I409 WeakPolarHBondContact CA-O 3.31Å; Y396-A410 HydrophobicContact CD1-CB 3.73Å; Y396-A410 HydrophobicContact CE1-CB 3.88Å; Y396-A410 HydrophobicContact CG-CB 4.4Å; Y396-V421 HydrophobicContact CE1-CG2 4.48Å; Y396-M423 HydrophobicContact CD1-CE 3.64Å; Y396-M423 HydrophobicContact CE1-CE 3.76Å; Y396-W464 HydrophobicContact CE1-CH2 4.24Å; Y396-W464 AromaticContact CE1-CZ3 3.82Å; Y396-W464 HydrophobicContact CE1-CZ3 3.82Å; Y396-W464 AromaticContact CZ-CZ3 3.88Å; Y396-W464 WeakPolarHBondContact OH-CZ3 3.32Å
397	V	95.7	Very high	90.6	Very high	90 Å²	90	58 Å²	58	55%	0.545	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.9	172	179.5	0	0	0	0	109	N395 I399 C408 I409	N395-V397 PolarHBondContact O-N 2.97Å; V397-I399 PolarHBondContact O-N 3.28Å; V397-C408 CarbonylContact O-C 3.55Å; V397-C408 WeakPolarHBondContact O-CA 3.42Å; V397-I409 HydrophobicContact CB-CG2 3.84Å; V397-I409 PolarHBondContact N-O 3.24Å; V397-I409 PolarHBondContact O-N 2.79Å
398	K	94.3	Very high	90.7	Very high	103 Å²	103	55.7 Å²	55.7	45%	0.448	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	121.4	176.6	178.4	168.7	178.3	175.7	0	110.2	G400 E401 I406	K398-G400 WeakPolarHBondContact CE-O 3.49Å; K398-E401 VanDerWaalsContact NZ-CD 3.33Å; K398-E401 IonicContact NZ-OE1 3.9Å; K398-E401 IonicContact NZ-OE2 3.61Å; K398-E401 PolarHBondContact NZ-OE2 2.97Å; K398-I406 HydrophobicContact CD-CD1 4.46Å; K398-I406 HydrophobicContact CD-CG2 3.74Å; K398-I406 HydrophobicContact CG-CG2 3.84Å
399	I	88	Confident	90.8	Very high	73 Å²	73	54.4 Å²	54.4	37%	0.374	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-16.4	176.7	59.8	169.5	0	0	0	112.9	V397 V407 I409 F469	V397-I399 PolarHBondContact O-N 3.28Å; I399-V407 HydrophobicContact CD1-CG1 3.99Å; I399-V407 HydrophobicContact CG1-CB 4.3Å; I399-V407 HydrophobicContact CG1-CG1 3.93Å; I399-V407 WeakPolarHBondContact CG1-O 3.21Å; I399-V407 PolarHBondContact N-O 2.84Å; I399-I409 HydrophobicContact CD1-CB 4.36Å; I399-I409 HydrophobicContact CG2-CB 3.97Å; I399-I409 HydrophobicContact CG2-CG2 3.75Å; I399-F469 HydrophobicContact CD1-CD2 4.07Å; I399-F469 HydrophobicContact CD1-CE2 3.7Å
400	G	83.6	Confident	90.8	Very high	4 Å²	4	54.6 Å²	54.6	4%	0.041	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	170.2	-179	0	0	0	0	0	114.1	K398 V407	K398-G400 WeakPolarHBondContact CE-O 3.49Å; G400-V407 PolarHBondContact N-O 2.86Å; G400-V407 PolarHBondContact O-N 3.12Å
401	E	83.7	Confident	90.9	Very high	94 Å²	94	52.9 Å²	52.9	44%	0.439	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	132.6	171.6	-177.6	164.5	-155.2	0	0	108.2	L100 K398 I406	L100-E401 WeakPolarHBondContact CD2-O 3.1Å; K398-E401 VanDerWaalsContact NZ-CD 3.33Å; K398-E401 IonicContact NZ-OE1 3.9Å; K398-E401 IonicContact NZ-OE2 3.61Å; K398-E401 PolarHBondContact NZ-OE2 2.97Å; E401-I406 HydrophobicContact CG-CG1 4.2Å
402	G	74.9	Confident	91	Very high	31 Å²	31	49.2 Å²	49.2	32%	0.32	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	-176	-178.3	0	0	0	0	0	111.6	T404 G405	G402-T404 PolarHBondContact O-N 2.88Å; G402-T404 VanDerWaalsContact O-N 3.07Å; G402-G405 PolarHBondContact N-O 2.96Å; G402-G405 PolarHBondContact O-N 3.39Å; G402-G405 VanDerWaalsContact O-N 3.16Å
403	S	74	Confident	91	Very high	43 Å²	43	50.9 Å²	50.9	30%	0.301	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-30.7	-172.5	55.3	0	0	0	0	115.6	I95	I95-S403 VanDerWaalsContact CG2-CB 3.43Å
404	T	81.2	Confident	90.9	Very high	19 Å²	19	57.4 Å²	57.4	12%	0.117	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-13.6	-178.3	56.8	0	0	0	0	114.3	G402 K422 M424 Q429	G402-T404 PolarHBondContact O-N 2.88Å; G402-T404 VanDerWaalsContact O-N 3.07Å; T404-K422 WeakPolarHBondContact OG1-CE 3.37Å; T404-M424 WeakPolarHBondContact O-CB 3.46Å; T404-M424 WeakPolarHBondContact O-CG 3.43Å; T404-Q429 PolarHBondContact O-NE2 2.7Å
405	G	86.8	Confident	90.8	Very high	17 Å²	17	57.2 Å²	57.2	18%	0.175	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.5	-165.7	-175.4	0	0	0	0	0	116.1	G402 M423	G402-G405 PolarHBondContact N-O 2.96Å; G402-G405 PolarHBondContact O-N 3.39Å; G402-G405 VanDerWaalsContact O-N 3.16Å; G405-M423 CarbonylContact C-O 3.49Å; G405-M423 VanDerWaalsContact CA-O 3.31Å; G405-M423 WeakPolarHBondContact CA-O 3.48Å
406	I	91.4	Very high	90.7	Very high	57 Å²	57	53.5 Å²	53.5	29%	0.292	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	142.8	-176.5	-69.3	174.6	0	0	0	109.8	K398 E401 K422 M423	K398-I406 HydrophobicContact CD-CD1 4.46Å; K398-I406 HydrophobicContact CD-CG2 3.74Å; K398-I406 HydrophobicContact CG-CG2 3.84Å; E401-I406 HydrophobicContact CG-CG1 4.2Å; I406-K422 CarbonylContact O-C 3.59Å; I406-K422 WeakPolarHBondContact O-CA 3.33Å; I406-M423 PolarHBondContact N-O 3.28Å; I406-M423 PolarHBondContact O-N 2.77Å
407	V	94.2	Very high	90.6	Very high	27 Å²	27	54.5 Å²	54.5	16%	0.164	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124	170.9	-172.1	0	0	0	0	109.4	I399 G400 A420 V421 K422 M467	I399-V407 HydrophobicContact CD1-CG1 3.99Å; I399-V407 HydrophobicContact CG1-CB 4.3Å; I399-V407 HydrophobicContact CG1-CG1 3.93Å; I399-V407 WeakPolarHBondContact CG1-O 3.21Å; I399-V407 PolarHBondContact N-O 2.84Å; G400-V407 PolarHBondContact N-O 2.86Å; G400-V407 PolarHBondContact O-N 3.12Å; V407-A420 HydrophobicContact CG1-CB 4.37Å; V407-V421 WeakPolarHBondContact CA-O 3.31Å; V407-K422 HydrophobicContact CG2-CB 4.44Å; V407-K422 HydrophobicContact CG2-CG 4.22Å; V407-M467 HydrophobicContact CG1-CE 3.93Å
408	C	96	Very high	90.7	Very high	12 Å²	12	54.3 Å²	54.3	8%	0.081	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142.6	174.7	-66.5	0	0	0	0	110.3	V397 A420 V421 M423	V397-C408 CarbonylContact O-C 3.55Å; V397-C408 WeakPolarHBondContact O-CA 3.42Å; C408-A420 CarbonylContact O-C 3.34Å; C408-A420 WeakPolarHBondContact O-CA 3.38Å; C408-V421 PolarHBondContact N-O 3.37Å; C408-V421 PolarHBondContact O-N 3.45Å; C408-M423 HydrophobicContact CB-CE 4.13Å
409	I	96.2	Very high	90.8	Very high	22 Å²	22	49.4 Å²	49.4	11%	0.113	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	143.6	156.5	-167.6	-178.4	0	0	0	108.1	Y396 V397 I399 Q418 V419 F469	Y396-I409 CarbonylContact C-O 3.6Å; Y396-I409 VanDerWaalsContact CA-O 3.31Å; Y396-I409 WeakPolarHBondContact CA-O 3.31Å; V397-I409 HydrophobicContact CB-CG2 3.84Å; V397-I409 PolarHBondContact N-O 3.24Å; V397-I409 PolarHBondContact O-N 2.79Å; I399-I409 HydrophobicContact CD1-CB 4.36Å; I399-I409 HydrophobicContact CG2-CB 3.97Å; I399-I409 HydrophobicContact CG2-CG2 3.75Å; I409-Q418 HydrophobicContact CD1-CB 4.21Å; I409-Q418 HydrophobicContact CD1-CG 4.19Å; I409-Q418 HydrophobicContact CG1-CB 4.44Å; I409-V419 WeakPolarHBondContact CA-O 3.48Å; I409-F469 HydrophobicContact CD1-CD1 3.48Å; I409-F469 VanDerWaalsContact CD1-CD1 3.48Å; I409-F469 HydrophobicContact CD1-CD2 4.45Å; I409-F469 HydrophobicContact CD1-CE1 3.28Å; I409-F469 HydrophobicContact CD1-CE2 4.3Å; I409-F469 HydrophobicContact CD1-CG 4.09Å; I409-F469 HydrophobicContact CD1-CZ 3.74Å; I409-F469 HydrophobicContact CG1-CD1 4.03Å; I409-F469 HydrophobicContact CG1-CD2 4.4Å; I409-F469 HydrophobicContact CG1-CE1 4.2Å; I409-F469 HydrophobicContact CG1-CG 4.15Å; I409-F469 HydrophobicContact CG1-CZ 4.47Å
410	A	97.4	Very high	91.2	Very high	3 Å²	3	46.1 Å²	46.1	3%	0.025	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	169.8	171.4	0	0	0	0	0	110	L393 Y396 Q418 V419 V421	L393-A410 HydrophobicContact CB-CB 4.36Å; L393-A410 HydrophobicContact CD1-CB 4.14Å; Y396-A410 HydrophobicContact CD1-CB 3.73Å; Y396-A410 HydrophobicContact CE1-CB 3.88Å; Y396-A410 HydrophobicContact CG-CB 4.4Å; A410-Q418 WeakPolarHBondContact O-CA 3.39Å; A410-V419 HydrophobicContact CB-CG2 4.17Å; A410-V419 PolarHBondContact N-O 3.04Å; A410-V419 PolarHBondContact O-N 3.39Å; A410-V421 HydrophobicContact CB-CG2 3.9Å
411	R	97.4	Very high	91.9	Very high	99 Å²	99	45.9 Å²	45.9	37%	0.374	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.7	173.1	-168.1	-174.5	-64.9	-86.9	9.3	110.8	L393 E394 G416 R417	L393-R411 CarbonylContact C-O 3.5Å; L393-R411 VanDerWaalsContact CA-O 3.29Å; L393-R411 WeakPolarHBondContact CA-O 3.32Å; E394-R411 HydrophobicContact CG-CB 4.14Å; E394-R411 WeakPolarHBondContact CG-O 3.19Å; E394-R411 PolarHBondContact N-O 2.79Å; E394-R411 PolarHBondContact O-N 2.83Å; R411-G416 WeakPolarHBondContact CG-O 3.31Å; R411-G416 PolarHBondContact NH1-O 3.47Å; R411-R417 CarbonylContact C-O 3.54Å; R411-R417 WeakPolarHBondContact CA-O 3.26Å
412	E	96.2	Very high	92.4	Very high	15 Å²	15	41.8 Å²	41.8	7%	0.07	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	124.7	168	-78.5	176.7	175.3	0	0	110.8	L393 H414 S415 G416 R417 V419	L393-E412 HydrophobicContact CD2-CB 4.32Å; L393-E412 HydrophobicContact CD2-CG 3.63Å; E412-H414 VanDerWaalsContact C-N 3.34Å; E412-H414 PolarHBondContact O-N 3.4Å; E412-H414 IonicContact OE2-CE1 2.74Å; E412-H414 IonicContact OE2-NE2 2.96Å; E412-S415 WeakPolarHBondContact CB-OG 3.12Å; E412-S415 PolarHBondContact OE2-OG 2.64Å; E412-G416 VanDerWaalsContact O-CA 3.3Å; E412-G416 WeakPolarHBondContact O-CA 3.35Å; E412-G416 PolarHBondContact O-N 3.26Å; E412-R417 HydrophobicContact CB-CB 4.4Å; E412-R417 PolarHBondContact N-O 3.38Å; E412-R417 IonicContact OE1-CZ 3.25Å; E412-R417 IonicContact OE1-NE 2.77Å; E412-R417 PolarHBondContact OE1-NE 3.41Å; E412-R417 IonicContact OE1-NH2 3.04Å; E412-R417 PolarHBondContact OE1-NH2 3.16Å; E412-R417 WeakPolarHBondContact OE2-CB 3.26Å; E412-R417 IonicContact OE2-CZ 2.66Å; E412-R417 IonicContact OE2-NE 3.24Å; E412-R417 PolarHBondContact OE2-NE 3.48Å; E412-R417 IonicContact OE2-NH2 3.14Å; E412-R417 PolarHBondContact OE2-NH2 3.45Å; E412-V419 HydrophobicContact CG-CG1 4.03Å
413	K	95.4	Very high	93.4	Very high	105 Å²	105	41.5 Å²	41.5	46%	0.457	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-33.9	-177.1	-70	167.4	-179.3	150.7	0	113.7	R390 T391 L392 L393 E394	R390-K413 PolarHBondContact O-NZ 3.44Å; T391-K413 VanDerWaalsContact O-CD 3.32Å; T391-K413 WeakPolarHBondContact O-CD 3.43Å; T391-K413 PolarHBondContact O-NZ 2.81Å; L392-K413 WeakPolarHBondContact O-CB 3.15Å; L392-K413 WeakPolarHBondContact O-CG 3.22Å; L392-K413 PolarHBondContact O-N 3.46Å; L393-K413 WeakPolarHBondContact O-CE 3.31Å; L393-K413 PolarHBondContact O-NZ 2.98Å; E394-K413 HydrophobicContact CB-CG 4.26Å; E394-K413 HydrophobicContact CG-CG 3.81Å
414	H	93.3	Very high	94.4	Very high	139 Å²	139	39.4 Å²	39.4	64%	0.644	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-21.4	-174.1	61.6	75.7	0	0	0	114.1	E412	E412-H414 VanDerWaalsContact C-N 3.34Å; E412-H414 PolarHBondContact O-N 3.4Å; E412-H414 IonicContact OE2-CE1 2.74Å; E412-H414 IonicContact OE2-NE2 2.96Å
415	S	94.9	Very high	95.1	Very high	63 Å²	63	39.9 Å²	39.9	44%	0.441	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-16.6	-174.8	63	0	0	0	0	113.2	E412 R417	E412-S415 WeakPolarHBondContact CB-OG 3.12Å; E412-S415 PolarHBondContact OE2-OG 2.64Å; S415-R417 PolarHBondContact O-N 2.63Å; S415-R417 WeakPolarHBondContact OG-CB 3.19Å; S415-R417 PolarHBondContact OG-N 2.85Å; S415-R417 VanDerWaalsContact OG-N 3.08Å
416	G	94	Very high	95.4	Very high	31 Å²	31	39.1 Å²	39.1	32%	0.32	20%	0.195	S	C	.	.			trans	68.2	1.8	-167.4	0	0	0	0	0	114.2	R411 E412	R411-G416 WeakPolarHBondContact CG-O 3.31Å; R411-G416 PolarHBondContact NH1-O 3.47Å; E412-G416 VanDerWaalsContact O-CA 3.3Å; E412-G416 WeakPolarHBondContact O-CA 3.35Å; E412-G416 PolarHBondContact O-N 3.26Å
417	R	94.4	Very high	95.4	Very high	97 Å²	97	44 Å²	44	37%	0.366	21%	0.21	S	C	.	.			trans	-65	138.1	-176.5	-178.4	166.5	66.6	150.6	5	111.2	R411 E412 S415 V419 Y454	R411-R417 CarbonylContact C-O 3.54Å; R411-R417 WeakPolarHBondContact CA-O 3.26Å; E412-R417 HydrophobicContact CB-CB 4.4Å; E412-R417 PolarHBondContact N-O 3.38Å; E412-R417 IonicContact OE1-CZ 3.25Å; E412-R417 IonicContact OE1-NE 2.77Å; E412-R417 PolarHBondContact OE1-NE 3.41Å; E412-R417 IonicContact OE1-NH2 3.04Å; E412-R417 PolarHBondContact OE1-NH2 3.16Å; E412-R417 WeakPolarHBondContact OE2-CB 3.26Å; E412-R417 IonicContact OE2-CZ 2.66Å; E412-R417 IonicContact OE2-NE 3.24Å; E412-R417 PolarHBondContact OE2-NE 3.48Å; E412-R417 IonicContact OE2-NH2 3.14Å; E412-R417 PolarHBondContact OE2-NH2 3.45Å; S415-R417 PolarHBondContact O-N 2.63Å; S415-R417 WeakPolarHBondContact OG-CB 3.19Å; S415-R417 PolarHBondContact OG-N 2.85Å; S415-R417 VanDerWaalsContact OG-N 3.08Å; R417-V419 HydrophobicContact CG-CG1 4.32Å; R417-Y454 PolarHBondContact NH1-OH 3.22Å
418	Q	96.8	Very high	95.2	Very high	86 Å²	86	49.9 Å²	49.9	40%	0.402	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	133.6	169.4	-70.7	-175.9	-46.4	0	0	110.2	I409 A410 F469	I409-Q418 HydrophobicContact CD1-CB 4.21Å; I409-Q418 HydrophobicContact CD1-CG 4.19Å; I409-Q418 HydrophobicContact CG1-CB 4.44Å; A410-Q418 WeakPolarHBondContact O-CA 3.39Å; Q418-F469 HydrophobicContact CB-CD1 4.1Å
419	V	97.3	Very high	94.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.4	178.9	-55.9	0	0	0	0	109.7	L393 I409 A410 E412 R417 V421 Y454	L393-V419 HydrophobicContact CD1-CG2 4.21Å; L393-V419 HydrophobicContact CD2-CG2 3.77Å; I409-V419 WeakPolarHBondContact CA-O 3.48Å; A410-V419 HydrophobicContact CB-CG2 4.17Å; A410-V419 PolarHBondContact N-O 3.04Å; A410-V419 PolarHBondContact O-N 3.39Å; E412-V419 HydrophobicContact CG-CG1 4.03Å; R417-V419 HydrophobicContact CG-CG1 4.32Å; V419-V421 HydrophobicContact CG2-CG2 4.12Å; V419-Y454 HydrophobicContact CB-CE2 4.47Å; V419-Y454 HydrophobicContact CG1-CD2 4.03Å; V419-Y454 HydrophobicContact CG1-CE2 3.86Å
420	A	97.1	Very high	94.2	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.033	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	142.4	167.4	0	0	0	0	0	109.5	V407 C408 L466 M467 F469	V407-A420 HydrophobicContact CG1-CB 4.37Å; C408-A420 CarbonylContact O-C 3.34Å; C408-A420 WeakPolarHBondContact O-CA 3.38Å; A420-L466 WeakPolarHBondContact O-CA 3.39Å; A420-M467 HydrophobicContact CB-CE 3.72Å; A420-M467 HydrophobicContact CB-CG 3.78Å; A420-M467 PolarHBondContact N-O 3.26Å; A420-M467 PolarHBondContact O-N 3.01Å; A420-F469 HydrophobicContact CB-CB 4.42Å; A420-F469 HydrophobicContact CB-CD2 4.41Å
421	V	97.2	Very high	93.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	110.3	-177.8	-170.2	0	0	0	0	108.4	L393 Y396 V407 C408 A410 V419 M423 W464 V465 L466	L393-V421 HydrophobicContact CD1-CG2 3.74Å; Y396-V421 HydrophobicContact CE1-CG2 4.48Å; V407-V421 WeakPolarHBondContact CA-O 3.31Å; C408-V421 PolarHBondContact N-O 3.37Å; C408-V421 PolarHBondContact O-N 3.45Å; A410-V421 HydrophobicContact CB-CG2 3.9Å; V419-V421 HydrophobicContact CG2-CG2 4.12Å; V421-M423 HydrophobicContact CB-CE 4.1Å; V421-M423 HydrophobicContact CG1-CE 3.7Å; V421-M423 HydrophobicContact CG1-CG 4Å; V421-W464 HydrophobicContact CG1-CB 4.36Å; V421-W464 HydrophobicContact CG1-CD2 4.24Å; V421-W464 HydrophobicContact CG1-CE3 3.89Å; V421-W464 HydrophobicContact CG1-CG 4.46Å; V421-V465 CarbonylContact C-O 3.58Å; V421-V465 WeakPolarHBondContact CA-O 3.36Å; V421-L466 HydrophobicContact CG1-CD1 4.34Å; V421-L466 HydrophobicContact CG2-CG 4.4Å
422	K	95.6	Very high	93.1	Very high	7 Å²	7	57.5 Å²	57.5	3%	0.03	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	109.3	177.1	-172.6	170.8	174.9	-178.9	0	108.8	T404 I406 V407 M424 E438 W464 V465 M467 D530	T404-K422 WeakPolarHBondContact OG1-CE 3.37Å; I406-K422 CarbonylContact O-C 3.59Å; I406-K422 WeakPolarHBondContact O-CA 3.33Å; V407-K422 HydrophobicContact CG2-CB 4.44Å; V407-K422 HydrophobicContact CG2-CG 4.22Å; K422-M424 HydrophobicContact CD-CE 4.44Å; K422-M424 HydrophobicContact CD-SD 4.25Å; K422-M424 HydrophobicContact CG-CE 4.12Å; K422-M424 HydrophobicContact CG-CG 4.11Å; K422-M424 HydrophobicContact CG-SD 4.05Å; K422-E438 VanDerWaalsContact CE-OE1 3.26Å; K422-E438 WeakPolarHBondContact CE-OE1 3.3Å; K422-E438 IonicContact NZ-OE1 2.68Å; K422-E438 PolarHBondContact NZ-OE1 2.93Å; K422-E438 IonicContact NZ-OE2 3.63Å; K422-E438 PolarHBondContact NZ-OE2 2.87Å; K422-W464 WeakPolarHBondContact O-CA 3.48Å; K422-V465 HydrophobicContact CB-CB 4.41Å; K422-V465 PolarHBondContact N-O 2.96Å; K422-V465 PolarHBondContact O-N 3.45Å; K422-M467 HydrophobicContact CB-CE 4.01Å; K422-D530 IonicContact NZ-OD1 3.7Å; K422-D530 PolarHBondContact NZ-OD1 3.31Å
423	M	95.5	Very high	92.7	Very high	25 Å²	25	61.1 Å²	61.1	12%	0.123	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	113.2	-173.1	-58.2	175	176.7	0	0	109.5	Y396 G405 I406 C408 V421 W464	Y396-M423 HydrophobicContact CD1-CE 3.64Å; Y396-M423 HydrophobicContact CE1-CE 3.76Å; G405-M423 CarbonylContact C-O 3.49Å; G405-M423 VanDerWaalsContact CA-O 3.31Å; G405-M423 WeakPolarHBondContact CA-O 3.48Å; I406-M423 PolarHBondContact N-O 3.28Å; I406-M423 PolarHBondContact O-N 2.77Å; C408-M423 HydrophobicContact CB-CE 4.13Å; V421-M423 HydrophobicContact CB-CE 4.1Å; V421-M423 HydrophobicContact CG1-CE 3.7Å; V421-M423 HydrophobicContact CG1-CG 4Å; M423-W464 HydrophobicContact CE-CD2 4.16Å; M423-W464 HydrophobicContact CE-CE3 4.03Å; M423-W464 HydrophobicContact CE-CH2 3.62Å; M423-W464 HydrophobicContact CE-CZ2 3.73Å; M423-W464 HydrophobicContact CE-CZ3 3.79Å; M423-W464 HydrophobicContact CG-CD2 4Å; M423-W464 HydrophobicContact CG-CG 4.11Å; M423-W464 HydrophobicContact CG-CZ2 4.32Å; M423-W464 HydrophobicContact SD-CH2 4.37Å; M423-W464 HydrophobicContact SD-CZ2 3.88Å
424	M	95	Very high	92.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	108.3	-168.8	-61.6	173.4	-79.7	0	0	110.9	T404 K422 L426 L435 E438 E462 L463 V465	T404-M424 WeakPolarHBondContact O-CB 3.46Å; T404-M424 WeakPolarHBondContact O-CG 3.43Å; K422-M424 HydrophobicContact CD-CE 4.44Å; K422-M424 HydrophobicContact CD-SD 4.25Å; K422-M424 HydrophobicContact CG-CE 4.12Å; K422-M424 HydrophobicContact CG-CG 4.11Å; K422-M424 HydrophobicContact CG-SD 4.05Å; M424-L426 PolarHBondContact O-N 3.02Å; M424-L435 HydrophobicContact CB-CD2 3.94Å; M424-L435 HydrophobicContact CG-CD2 4.46Å; M424-L435 HydrophobicContact SD-CD2 3.82Å; M424-E438 HydrophobicContact CE-CB 4.17Å; M424-E438 HydrophobicContact CE-CG 4.05Å; M424-E438 HydrophobicContact SD-CG 3.96Å; M424-E462 CarbonylContact O-C 3.59Å; M424-E462 WeakPolarHBondContact O-CA 3.28Å; M424-L463 HydrophobicContact CB-CB 4.48Å; M424-L463 HydrophobicContact CE-CB 4.43Å; M424-L463 HydrophobicContact CE-CD2 3.72Å; M424-L463 HydrophobicContact CE-CG 3.92Å; M424-L463 PolarHBondContact N-O 3.15Å; M424-L463 PolarHBondContact O-N 2.88Å; M424-V465 HydrophobicContact CE-CB 4.34Å; M424-V465 HydrophobicContact CE-CG2 3.66Å
425	D	94.9	Very high	92.3	Very high	28 Å²	28	50.7 Å²	50.7	15%	0.15	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	121.9	177.7	177.1	-45.7	0	0	0	111	R427 K428 Q429	D425-R427 PolarHBondContact O-N 2.98Å; D425-R427 WeakPolarHBondContact OD1-CA 3.47Å; D425-R427 WeakPolarHBondContact OD1-CB 3.41Å; D425-R427 PolarHBondContact OD1-N 2.77Å; D425-K428 HydrophobicContact CB-CB 4.11Å; D425-K428 HydrophobicContact CB-CD 4.03Å; D425-K428 HydrophobicContact CB-CG 4.03Å; D425-K428 PolarHBondContact O-N 3.49Å; D425-K428 PolarHBondContact OD1-N 3.44Å; D425-K428 IonicContact OD2-NZ 3.96Å; D425-K428 PolarHBondContact OD2-NZ 2.81Å; D425-Q429 WeakPolarHBondContact O-CG 3.28Å; D425-Q429 PolarHBondContact O-NE2 3.41Å
426	L	93.5	Very high	92.1	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23	-175.5	-85.9	64.9	0	0	0	114	F376 K377 L380 M424 L435 L458 E461 L463	F376-L426 HydrophobicContact CD1-CD2 4.19Å; F376-L426 HydrophobicContact CE1-CB 4.4Å; F376-L426 HydrophobicContact CE1-CD2 3.83Å; F376-L426 HydrophobicContact CE1-CG 3.91Å; K377-L426 HydrophobicContact CB-CD2 4.22Å; K377-L426 HydrophobicContact CG-CD2 3.99Å; L380-L426 HydrophobicContact CD2-CD1 4.19Å; L380-L426 HydrophobicContact CD2-CD2 4.04Å; L380-L426 HydrophobicContact CD2-CG 4.2Å; M424-L426 PolarHBondContact O-N 3.02Å; L426-L435 HydrophobicContact CD1-CD1 4.13Å; L426-L435 HydrophobicContact CG-CD1 3.97Å; L426-L458 HydrophobicContact CD1-CD1 3.79Å; L426-L458 HydrophobicContact CD2-CD1 3.8Å; L426-L458 HydrophobicContact CG-CD1 4.48Å; L426-E461 WeakPolarHBondContact CB-O 3.37Å; L426-E461 WeakPolarHBondContact CD1-O 3.35Å; L426-E461 PolarHBondContact N-O 3.45Å; L426-L463 HydrophobicContact CD1-CB 3.94Å
427	R	90.8	Very high	91.8	Very high	159 Å²	159	50 Å²	50	60%	0.6	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-26.7	-177.2	-57.1	-178.8	-174.7	-154.1	-2.4	112.5	H373 D425 E461	H373-R427 VanDerWaalsContact CE1-CG 3.49Å; H373-R427 WeakPolarHBondContact CE1-CG 3.17Å; D425-R427 PolarHBondContact O-N 2.98Å; D425-R427 WeakPolarHBondContact OD1-CA 3.47Å; D425-R427 WeakPolarHBondContact OD1-CB 3.41Å; D425-R427 PolarHBondContact OD1-N 2.77Å; R427-E461 IonicContact CZ-OE2 2.71Å; R427-E461 VanDerWaalsContact CZ-OE2 3.24Å; R427-E461 IonicContact NE-OE2 3Å; R427-E461 PolarHBondContact NE-OE2 3.41Å; R427-E461 IonicContact NH2-OE1 3.2Å; R427-E461 PolarHBondContact NH2-OE1 3.44Å; R427-E461 IonicContact NH2-OE2 2.84Å; R427-E461 PolarHBondContact NH2-OE2 3.07Å
428	K	90.2	Very high	91.4	Very high	151 Å²	151	45.6 Å²	45.6	66%	0.657	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-15.9	178.6	-67.2	-175.3	-175.7	95.5	0	114	D425 Q430	D425-K428 HydrophobicContact CB-CB 4.11Å; D425-K428 HydrophobicContact CB-CD 4.03Å; D425-K428 HydrophobicContact CB-CG 4.03Å; D425-K428 PolarHBondContact O-N 3.49Å; D425-K428 PolarHBondContact OD1-N 3.44Å; D425-K428 IonicContact OD2-NZ 3.96Å; D425-K428 PolarHBondContact OD2-NZ 2.81Å; K428-Q430 PolarHBondContact O-N 3.39Å
429	Q	86.9	Confident	91.2	Very high	30 Å²	30	41.5 Å²	41.5	14%	0.14	18%	0.181	C	C	.	.			trans	-69.7	126	-179.9	-49.9	-53	-48.4	0	0	112.1	T404 D425 R431 R432 L435	T404-Q429 PolarHBondContact O-NE2 2.7Å; D425-Q429 WeakPolarHBondContact O-CG 3.28Å; D425-Q429 PolarHBondContact O-NE2 3.41Å; Q429-R431 PolarHBondContact O-N 3.39Å; Q429-R432 HydrophobicContact CB-CB 3.86Å; Q429-R432 HydrophobicContact CG-CB 4.27Å; Q429-L435 HydrophobicContact CG-CD1 3.85Å; Q429-L435 HydrophobicContact CG-CD2 4.02Å; Q429-L435 HydrophobicContact CG-CG 3.99Å
430	Q	84.1	Confident	91	Very high	121 Å²	121	43.3 Å²	43.3	57%	0.565	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.5	168.7	-62.8	-56.6	-57.1	0	0	112.7	I95 K428	I95-Q430 HydrophobicContact CD1-CB 4.5Å; I95-Q430 HydrophobicContact CD1-CG 3.41Å; I95-Q430 VanDerWaalsContact CD1-CG 3.41Å; K428-Q430 PolarHBondContact O-N 3.39Å
431	R	84.1	Confident	90.7	Very high	82 Å²	82	43.4 Å²	43.4	31%	0.309	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.7	66.1	-175	-68.2	-164.8	63.4	-153.1	-11.3	110.2	Q429 E433 L434	Q429-R431 PolarHBondContact O-N 3.39Å; R431-E433 WeakPolarHBondContact CA-OE2 3.28Å; R431-E433 IonicContact CZ-OE1 3.44Å; R431-E433 IonicContact NE-OE1 3.2Å; R431-E433 PolarHBondContact NE-OE1 3.39Å; R431-E433 IonicContact NH2-OE1 3.17Å; R431-E433 PolarHBondContact NH2-OE1 2.88Å; R431-E433 PolarHBondContact O-N 2.89Å; R431-E433 VanDerWaalsContact O-N 3.07Å; R431-L434 HydrophobicContact CB-CD1 3.75Å; R431-L434 HydrophobicContact CB-CG 3.98Å; R431-L434 VanDerWaalsContact O-CB 3.28Å; R431-L434 WeakPolarHBondContact O-CB 3.33Å; R431-L434 WeakPolarHBondContact O-CG 3.22Å; R431-L434 PolarHBondContact O-N 2.69Å
432	R	88.8	Confident	90.3	Very high	63 Å²	63	43.8 Å²	43.8	24%	0.238	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-55.4	-24.5	-176.3	68.7	-175.4	-178.4	-174.3	-3.2	113.7	V371 F376 Q429 L434 L435	V371-R432 PolarHBondContact O-NH2 3.08Å; F376-R432 HydrophobicContact CD1-CG 4.16Å; F376-R432 HydrophobicContact CD2-CG 4.04Å; F376-R432 HydrophobicContact CE1-CB 3.93Å; F376-R432 HydrophobicContact CE1-CG 3.95Å; F376-R432 HydrophobicContact CE2-CB 4.22Å; F376-R432 HydrophobicContact CE2-CG 3.83Å; F376-R432 WeakPolarHBondContact CE2-O 3.4Å; F376-R432 HydrophobicContact CG-CG 4.21Å; F376-R432 HydrophobicContact CZ-CB 3.75Å; F376-R432 HydrophobicContact CZ-CG 3.81Å; F376-R432 WeakPolarHBondContact CZ-O 3.13Å; Q429-R432 HydrophobicContact CB-CB 3.86Å; Q429-R432 HydrophobicContact CG-CB 4.27Å; R432-L434 PolarHBondContact O-N 3.08Å; R432-L434 VanDerWaalsContact O-N 3.14Å; R432-L435 VanDerWaalsContact O-CB 3.29Å; R432-L435 WeakPolarHBondContact O-CB 3.16Å; R432-L435 WeakPolarHBondContact O-CG 3.48Å; R432-L435 PolarHBondContact O-N 2.64Å
433	E	87	Confident	90.1	Very high	90 Å²	90	48.7 Å²	48.7	42%	0.421	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-61.2	-19.6	174.3	78.1	-75.6	-175.2	0	0	113.5	R431 L435	R431-E433 WeakPolarHBondContact CA-OE2 3.28Å; R431-E433 IonicContact CZ-OE1 3.44Å; R431-E433 IonicContact NE-OE1 3.2Å; R431-E433 PolarHBondContact NE-OE1 3.39Å; R431-E433 IonicContact NH2-OE1 3.17Å; R431-E433 PolarHBondContact NH2-OE1 2.88Å; R431-E433 PolarHBondContact O-N 2.89Å; R431-E433 VanDerWaalsContact O-N 3.07Å; E433-L435 VanDerWaalsContact C-N 3.32Å
434	L	88.8	Confident	90.1	Very high	22 Å²	22	51.1 Å²	51.1	12%	0.115	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-75.6	-15.9	173.6	-60.8	-179.3	0	0	0	113.5	R431 R432 F436 N437 G532 F533	R431-L434 HydrophobicContact CB-CD1 3.75Å; R431-L434 HydrophobicContact CB-CG 3.98Å; R431-L434 VanDerWaalsContact O-CB 3.28Å; R431-L434 WeakPolarHBondContact O-CB 3.33Å; R431-L434 WeakPolarHBondContact O-CG 3.22Å; R431-L434 PolarHBondContact O-N 2.69Å; R432-L434 PolarHBondContact O-N 3.08Å; R432-L434 VanDerWaalsContact O-N 3.14Å; L434-F436 PolarHBondContact O-N 3.38Å; L434-N437 VanDerWaalsContact O-CB 3.26Å; L434-N437 WeakPolarHBondContact O-CB 3.11Å; L434-N437 PolarHBondContact O-N 2.84Å; L434-G532 WeakPolarHBondContact CB-O 3.3Å; L434-F533 HydrophobicContact CD1-CD1 4.1Å; L434-F533 HydrophobicContact CD1-CE1 4.38Å
435	L	90.8	Very high	90	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-25.4	176	-67.9	-179.2	0	0	0	112.8	F376 L380 M424 L426 Q429 R432 E433 N437 E438 L463	F376-L435 HydrophobicContact CE1-CD1 4.44Å; F376-L435 HydrophobicContact CZ-CB 4.47Å; F376-L435 HydrophobicContact CZ-CD1 4.24Å; L380-L435 HydrophobicContact CD2-CD1 4.5Å; M424-L435 HydrophobicContact CB-CD2 3.94Å; M424-L435 HydrophobicContact CG-CD2 4.46Å; M424-L435 HydrophobicContact SD-CD2 3.82Å; L426-L435 HydrophobicContact CD1-CD1 4.13Å; L426-L435 HydrophobicContact CG-CD1 3.97Å; Q429-L435 HydrophobicContact CG-CD1 3.85Å; Q429-L435 HydrophobicContact CG-CD2 4.02Å; Q429-L435 HydrophobicContact CG-CG 3.99Å; R432-L435 VanDerWaalsContact O-CB 3.29Å; R432-L435 WeakPolarHBondContact O-CB 3.16Å; R432-L435 WeakPolarHBondContact O-CG 3.48Å; R432-L435 PolarHBondContact O-N 2.64Å; E433-L435 VanDerWaalsContact C-N 3.32Å; L435-N437 PolarHBondContact O-N 3.31Å; L435-E438 PolarHBondContact O-N 2.87Å; L435-L463 HydrophobicContact CB-CD2 3.9Å; L435-L463 HydrophobicContact CD2-CD2 4.32Å
436	F	91.5	Very high	90	Very high	53 Å²	53	57.8 Å²	57.8	23%	0.232	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-28.3	172.2	-75.3	-77.3	0	0	0	112.5	F376 A379 L380 V383 L434 V439 V440	F376-F436 HydrophobicContact CD2-CE2 4.04Å; F376-F436 HydrophobicContact CE2-CD2 4.11Å; F376-F436 AromaticContact CE2-CE2 3.53Å; F376-F436 HydrophobicContact CE2-CE2 3.53Å; F376-F436 HydrophobicContact CE2-CZ 4.41Å; F376-F436 HydrophobicContact CZ-CE2 4.36Å; A379-F436 HydrophobicContact CB-CZ 3.91Å; L380-F436 HydrophobicContact CB-CE1 4.39Å; L380-F436 HydrophobicContact CB-CZ 4.24Å; L380-F436 HydrophobicContact CD1-CD1 3.82Å; L380-F436 HydrophobicContact CD1-CE1 3.72Å; L380-F436 HydrophobicContact CD1-CG 4.26Å; L380-F436 HydrophobicContact CD1-CZ 4.09Å; V383-F436 HydrophobicContact CG1-CD1 4.4Å; V383-F436 HydrophobicContact CG1-CE1 4.27Å; V383-F436 HydrophobicContact CG2-CD1 3.86Å; V383-F436 HydrophobicContact CG2-CE1 3.87Å; L434-F436 PolarHBondContact O-N 3.38Å; F436-V439 PolarHBondContact O-N 2.83Å; F436-V440 VanDerWaalsContact O-CB 3.31Å; F436-V440 WeakPolarHBondContact O-CB 3.2Å; F436-V440 VanDerWaalsContact O-CG2 3.31Å; F436-V440 WeakPolarHBondContact O-CG2 3.48Å; F436-V440 PolarHBondContact O-N 2.93Å
437	N	87.2	Confident	90.2	Very high	28 Å²	28	60.2 Å²	60.2	15%	0.15	27%	0.266	C	S	.	.	H	α-helix	trans	-66.3	-44.6	179.8	-64.8	-32.1	0	0	0	112	L434 L435 V439 V440 I441 F531 G532 C534	L434-N437 VanDerWaalsContact O-CB 3.26Å; L434-N437 WeakPolarHBondContact O-CB 3.11Å; L434-N437 PolarHBondContact O-N 2.84Å; L435-N437 PolarHBondContact O-N 3.31Å; N437-V439 PolarHBondContact O-N 3.22Å; N437-V440 PolarHBondContact O-N 2.89Å; N437-I441 HydrophobicContact CB-CG1 4.18Å; N437-I441 WeakPolarHBondContact O-CB 3.47Å; N437-I441 WeakPolarHBondContact O-CG1 3.33Å; N437-I441 PolarHBondContact O-N 2.79Å; N437-F531 VanDerWaalsContact CB-O 3.31Å; N437-F531 WeakPolarHBondContact CB-O 3.19Å; N437-G532 PolarHBondContact ND2-O 2.89Å; N437-C534 HydrophobicContact CB-CB 4.38Å; N437-C534 PolarHBondContact ND2-O 2.83Å
438	E	86.6	Confident	90.5	Very high	3 Å²	3	57 Å²	57	1%	0.014	26%	0.264	C	S	.	.	H	α-helix	trans	-59	-32.1	-178.5	-54.4	-87.5	-164	0	0	111.4	K422 M424 L435 M442 V465 G532	K422-E438 VanDerWaalsContact CE-OE1 3.26Å; K422-E438 WeakPolarHBondContact CE-OE1 3.3Å; K422-E438 IonicContact NZ-OE1 2.68Å; K422-E438 PolarHBondContact NZ-OE1 2.93Å; K422-E438 IonicContact NZ-OE2 3.63Å; K422-E438 PolarHBondContact NZ-OE2 2.87Å; M424-E438 HydrophobicContact CE-CB 4.17Å; M424-E438 HydrophobicContact CE-CG 4.05Å; M424-E438 HydrophobicContact SD-CG 3.96Å; L435-E438 PolarHBondContact O-N 2.87Å; E438-M442 WeakPolarHBondContact O-CB 3.43Å; E438-M442 WeakPolarHBondContact O-CG 3.42Å; E438-V465 HydrophobicContact CB-CG2 4.3Å; E438-G532 VanDerWaalsContact OE1-CA 3.24Å; E438-G532 WeakPolarHBondContact OE1-CA 3.42Å; E438-G532 PolarHBondContact OE1-N 3.26Å; E438-G532 PolarHBondContact OE2-N 3.5Å
439	V	91.9	Very high	90.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-85.6	-55.2	177.3	-178.2	0	0	0	0	111.7	V383 V384 F436 N437 R443 S456 L463 V465	V383-V439 HydrophobicContact CB-CG1 4.5Å; V383-V439 HydrophobicContact CG2-CG1 4.26Å; V383-V439 WeakPolarHBondContact O-CG1 3.5Å; V384-V439 HydrophobicContact CG1-CG2 4.21Å; F436-V439 PolarHBondContact O-N 2.83Å; N437-V439 PolarHBondContact O-N 3.22Å; V439-R443 WeakPolarHBondContact O-CB 3.29Å; V439-R443 PolarHBondContact O-N 2.72Å; V439-R443 VanDerWaalsContact O-N 3.12Å; V439-S456 WeakPolarHBondContact CG1-OG 3.31Å; V439-L463 HydrophobicContact CG2-CD1 3.92Å; V439-L463 HydrophobicContact CG2-CD2 3.94Å; V439-V465 HydrophobicContact CG2-CG2 4.4Å
440	V	92.8	Very high	91.5	Very high	39 Å²	39	49.2 Å²	49.2	24%	0.236	23%	0.231	C	C	.	.	H	α-helix	trans	-71.3	-42.8	-170.1	176.4	0	0	0	0	111.2	F436 N437 D444	F436-V440 VanDerWaalsContact O-CB 3.31Å; F436-V440 WeakPolarHBondContact O-CB 3.2Å; F436-V440 VanDerWaalsContact O-CG2 3.31Å; F436-V440 WeakPolarHBondContact O-CG2 3.48Å; F436-V440 PolarHBondContact O-N 2.93Å; N437-V440 PolarHBondContact O-N 2.89Å; V440-D444 WeakPolarHBondContact CG1-OD2 3.43Å; V440-D444 VanDerWaalsContact O-CB 3.27Å; V440-D444 WeakPolarHBondContact O-CB 3.41Å; V440-D444 VanDerWaalsContact O-CG 3.25Å; V440-D444 PolarHBondContact O-N 3.26Å
441	I	90.8	Very high	92	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-68.8	-45.3	-177.8	-56.1	-61.4	0	0	0	110.7	N437 R443 D444 Y445 V508 F531 C534	N437-I441 HydrophobicContact CB-CG1 4.18Å; N437-I441 WeakPolarHBondContact O-CB 3.47Å; N437-I441 WeakPolarHBondContact O-CG1 3.33Å; N437-I441 PolarHBondContact O-N 2.79Å; I441-R443 VanDerWaalsContact C-N 3.31Å; I441-R443 PolarHBondContact O-N 2.73Å; I441-D444 PolarHBondContact O-N 3.45Å; I441-Y445 HydrophobicContact CB-CD2 4.43Å; I441-Y445 HydrophobicContact CD1-CD2 4.23Å; I441-Y445 HydrophobicContact CD1-CE2 3.96Å; I441-Y445 HydrophobicContact CG2-CD2 3.94Å; I441-Y445 WeakPolarHBondContact O-CB 3.47Å; I441-Y445 WeakPolarHBondContact O-CD2 3.42Å; I441-Y445 PolarHBondContact O-N 2.9Å; I441-V508 HydrophobicContact CD1-CG1 4.2Å; I441-V508 HydrophobicContact CD1-CG2 4.3Å; I441-V508 HydrophobicContact CG2-CG1 4.17Å; I441-F531 HydrophobicContact CB-CB 4.21Å; I441-F531 HydrophobicContact CG2-CB 4.13Å; I441-F531 HydrophobicContact CG2-CD1 3.59Å; I441-F531 HydrophobicContact CG2-CE1 4.39Å; I441-F531 HydrophobicContact CG2-CG 4.06Å; I441-C534 HydrophobicContact CG1-CB 4.12Å
442	M	89.4	Confident	92.6	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.034	21%	0.209	C	C	.	.	H	α-helix	trans	-73.2	-21.9	-178.5	-59.6	-174.7	73.1	0	0	113.6	E438 V451 M453 F531	E438-M442 WeakPolarHBondContact O-CB 3.43Å; E438-M442 WeakPolarHBondContact O-CG 3.42Å; M442-V451 HydrophobicContact CE-CB 3.9Å; M442-V451 HydrophobicContact CE-CG1 3.65Å; M442-V451 WeakPolarHBondContact CE-O 3.45Å; M442-M453 HydrophobicContact CB-CB 3.63Å; M442-M453 HydrophobicContact CB-SD 4.39Å; M442-M453 HydrophobicContact CE-CB 4.16Å; M442-M453 HydrophobicContact SD-CB 4.49Å; M442-F531 HydrophobicContact CE-CD2 4.21Å; M442-F531 HydrophobicContact CE-CE2 4.41Å; M442-F531 HydrophobicContact CG-CB 4.14Å; M442-F531 HydrophobicContact CG-CD2 3.48Å; M442-F531 VanDerWaalsContact CG-CD2 3.48Å; M442-F531 HydrophobicContact CG-CE2 4.23Å; M442-F531 HydrophobicContact CG-CG 3.96Å; M442-F531 HydrophobicContact SD-CD2 3.82Å
443	R	92.6	Very high	92.9	Very high	110 Å²	110	41.6 Å²	41.6	42%	0.415	20%	0.201	S	C	.	.	H	α-helix	trans	-79.1	-45.3	172.5	-168.6	-172.7	65.8	-147.4	-10.8	112.1	V439 I441 M453	V439-R443 WeakPolarHBondContact O-CB 3.29Å; V439-R443 PolarHBondContact O-N 2.72Å; V439-R443 VanDerWaalsContact O-N 3.12Å; I441-R443 VanDerWaalsContact C-N 3.31Å; I441-R443 PolarHBondContact O-N 2.73Å; R443-M453 HydrophobicContact CB-CE 3.65Å; R443-M453 HydrophobicContact CG-CE 4.25Å
444	D	93.4	Very high	93.3	Very high	77 Å²	77	40.1 Å²	40.1	41%	0.412	19%	0.192	S	C	.	.	H	α-helix	trans	-91.4	-14.8	-167.1	-59.2	-9.1	0	0	0	112.7	V440 I441	V440-D444 WeakPolarHBondContact CG1-OD2 3.43Å; V440-D444 VanDerWaalsContact O-CB 3.27Å; V440-D444 WeakPolarHBondContact O-CB 3.41Å; V440-D444 VanDerWaalsContact O-CG 3.25Å; V440-D444 PolarHBondContact O-N 3.26Å; I441-D444 PolarHBondContact O-N 3.45Å
445	Y	93.9	Very high	93.7	Very high	29 Å²	29	43.2 Å²	43.2	11%	0.114	21%	0.205	C	C	.	.			trans	-126.1	94.8	-179.9	-57.4	-70.5	0	0	0	112.7	I441 Y502 L503 Q506 V508 Q536	I441-Y445 HydrophobicContact CB-CD2 4.43Å; I441-Y445 HydrophobicContact CD1-CD2 4.23Å; I441-Y445 HydrophobicContact CD1-CE2 3.96Å; I441-Y445 HydrophobicContact CG2-CD2 3.94Å; I441-Y445 WeakPolarHBondContact O-CB 3.47Å; I441-Y445 WeakPolarHBondContact O-CD2 3.42Å; I441-Y445 PolarHBondContact O-N 2.9Å; Y445-Y502 HydrophobicContact CD1-CE1 4.48Å; Y445-L503 HydrophobicContact CG-CD2 4.33Å; Y445-Q506 HydrophobicContact CD1-CB 4.07Å; Y445-Q506 HydrophobicContact CD1-CG 3.94Å; Y445-Q506 HydrophobicContact CE1-CB 3.46Å; Y445-Q506 VanDerWaalsContact CE1-CB 3.46Å; Y445-Q506 HydrophobicContact CE1-CG 3.68Å; Y445-V508 HydrophobicContact CD2-CG2 3.99Å; Y445-V508 HydrophobicContact CE1-CG2 4.28Å; Y445-V508 HydrophobicContact CE2-CG2 3.55Å; Y445-Q536 PolarHBondContact OH-NE2 3.27Å
446	Q	95.3	Very high	94	Very high	138 Å²	138	43.2 Å²	43.2	65%	0.645	21%	0.205	S	C	*	.			trans	-99.1	130.5	177.9	-64.3	-176.6	-19	0	0	111.4	Y502	Q446-Y502 PolarHBondContact O-OH 3.11Å
447	H	97.9	Very high	94.3	Very high	54 Å²	54	41 Å²	41	25%	0.25	20%	0.195	C	C	.	.			trans	-150.4	152.3	178.3	-174.1	-105.1	0	0	0	111.5	N449 V450 Y502	H447-N449 PolarHBondContact CE1-OD1 3Å; H447-N449 VanDerWaalsContact CE1-OD1 3.27Å; H447-N449 PolarHBondContact ND1-N 3.13Å; H447-N449 PolarHBondContact O-N 3.25Å; H447-V450 HydrophobicContact CB-CB 4.04Å; H447-V450 HydrophobicContact CB-CG2 3.87Å; H447-V450 PolarHBondContact O-N 3.44Å; H447-Y502 HydrophobicContact CB-CD1 3.67Å; H447-Y502 HydrophobicContact CB-CE1 3.92Å; H447-Y502 HydrophobicContact CB-CG 4.37Å
448	V	97.6	Very high	94.8	Very high	91 Å²	91	41 Å²	41	55%	0.552	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.8	-175.7	66.8	0	0	0	0	113.4	K527	V448-K527 WeakPolarHBondContact O-CE 3.47Å
449	N	98.5	Very high	95.2	Very high	12 Å²	12	41.5 Å²	41.5	6%	0.064	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	23.5	173.5	-52.4	99.5	0	0	0	113.6	H447 S495 Q498 A499 V526 K527 L528	H447-N449 PolarHBondContact CE1-OD1 3Å; H447-N449 VanDerWaalsContact CE1-OD1 3.27Å; H447-N449 PolarHBondContact ND1-N 3.13Å; H447-N449 PolarHBondContact O-N 3.25Å; N449-S495 WeakPolarHBondContact CB-O 3.5Å; N449-S495 WeakPolarHBondContact ND2-CB 3.26Å; N449-Q498 PolarHBondContact OD1-OE1 2.99Å; N449-A499 HydrophobicContact CB-CB 4.04Å; N449-V526 PolarHBondContact ND2-O 2.9Å; N449-K527 CarbonylContact O-C 3.5Å; N449-K527 WeakPolarHBondContact O-CA 3.24Å; N449-L528 PolarHBondContact O-N 3.36Å
450	V	97.6	Very high	95.4	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.03	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-119.3	146.1	172.5	164.4	0	0	0	0	108.8	H447 E452 A499 K527 F531	H447-V450 HydrophobicContact CB-CB 4.04Å; H447-V450 HydrophobicContact CB-CG2 3.87Å; H447-V450 PolarHBondContact O-N 3.44Å; V450-E452 PolarHBondContact O-N 2.74Å; V450-A499 HydrophobicContact CG2-CB 4.07Å; V450-K527 WeakPolarHBondContact O-CD 3.34Å; V450-K527 WeakPolarHBondContact O-CE 3.48Å; V450-F531 HydrophobicContact CB-CZ 4.4Å; V450-F531 HydrophobicContact CG1-CE1 4.5Å; V450-F531 HydrophobicContact CG1-CE2 3.94Å; V450-F531 HydrophobicContact CG1-CZ 3.62Å; V450-F531 HydrophobicContact CG2-CZ 4.12Å
451	V	96.4	Very high	95.5	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-67	124.5	173.5	173	0	0	0	0	110.5	M442 M453 M467 E468 L470 L519 K527 L528	M442-V451 HydrophobicContact CE-CB 3.9Å; M442-V451 HydrophobicContact CE-CG1 3.65Å; M442-V451 WeakPolarHBondContact CE-O 3.45Å; V451-M453 PolarHBondContact O-N 2.91Å; V451-M467 HydrophobicContact CG1-CB 3.93Å; V451-M467 HydrophobicContact CG1-CG 4.24Å; V451-M467 HydrophobicContact CG1-SD 4.27Å; V451-E468 WeakPolarHBondContact CA-OE1 3.48Å; V451-E468 HydrophobicContact CG1-CG 4.17Å; V451-L470 HydrophobicContact CG2-CD1 3.77Å; V451-L519 HydrophobicContact CG2-CD1 4.18Å; V451-K527 HydrophobicContact CG2-CB 4.12Å; V451-L528 WeakPolarHBondContact CG2-O 3.44Å; V451-L528 PolarHBondContact N-O 2.7Å
452	E	95.5	Very high	95.7	Very high	89 Å²	89	47.6 Å²	47.6	42%	0.416	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-73.4	120.5	175.9	-171.1	-172.7	163.6	0	0	110.6	V450 Y454 M467 E468	V450-E452 PolarHBondContact O-N 2.74Å; E452-Y454 VanDerWaalsContact CD-CE1 3.4Å; E452-Y454 HydrophobicContact CG-CD1 4.15Å; E452-Y454 HydrophobicContact CG-CE1 4.05Å; E452-Y454 WeakPolarHBondContact OE1-CD1 3.1Å; E452-Y454 VanDerWaalsContact OE1-CE1 3.28Å; E452-Y454 WeakPolarHBondContact OE1-CE1 3.44Å; E452-M467 CarbonylContact O-C 3.53Å; E452-M467 WeakPolarHBondContact O-CA 3.35Å; E452-M467 WeakPolarHBondContact O-CB 3.46Å; E452-E468 HydrophobicContact CB-CG 4.49Å; E452-E468 PolarHBondContact N-OE1 2.87Å; E452-E468 PolarHBondContact O-N 2.92Å
453	M	95.8	Very high	96.1	Very high	16 Å²	16	47.2 Å²	47.2	8%	0.079	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.1	162.4	-179.7	-175.8	75.5	0	0	109.2	M442 R443 V451 V465 L466	M442-M453 HydrophobicContact CB-CB 3.63Å; M442-M453 HydrophobicContact CB-SD 4.39Å; M442-M453 HydrophobicContact CE-CB 4.16Å; M442-M453 HydrophobicContact SD-CB 4.49Å; R443-M453 HydrophobicContact CB-CE 3.65Å; R443-M453 HydrophobicContact CG-CE 4.25Å; V451-M453 PolarHBondContact O-N 2.91Å; M453-V465 HydrophobicContact CG-CG1 3.79Å; M453-V465 HydrophobicContact SD-CG1 3.74Å; M453-L466 CarbonylContact C-O 3.55Å; M453-L466 WeakPolarHBondContact CG-O 3.5Å
454	Y	95.4	Very high	96.3	Very high	59 Å²	59	42.9 Å²	42.9	23%	0.231	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-49.6	172.5	-58.3	-43.7	0	0	0	111.7	R417 V419 E452 L466 E468	R417-Y454 PolarHBondContact NH1-OH 3.22Å; V419-Y454 HydrophobicContact CB-CE2 4.47Å; V419-Y454 HydrophobicContact CG1-CD2 4.03Å; V419-Y454 HydrophobicContact CG1-CE2 3.86Å; E452-Y454 VanDerWaalsContact CD-CE1 3.4Å; E452-Y454 HydrophobicContact CG-CD1 4.15Å; E452-Y454 HydrophobicContact CG-CE1 4.05Å; E452-Y454 WeakPolarHBondContact OE1-CD1 3.1Å; E452-Y454 VanDerWaalsContact OE1-CE1 3.28Å; E452-Y454 WeakPolarHBondContact OE1-CE1 3.44Å; Y454-L466 PolarHBondContact N-O 3.16Å; Y454-E468 HydrophobicContact CE2-CB 4.3Å; Y454-E468 WeakPolarHBondContact OH-CA 3.41Å; Y454-E468 VanDerWaalsContact OH-CB 3.26Å; Y454-E468 WeakPolarHBondContact OH-CB 3.48Å
455	K	95.8	Very high	96.5	Very high	88 Å²	88	39.2 Å²	39.2	38%	0.383	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	164.6	-174.5	-73.2	-167.2	170.4	-102.2	0	111.7	D385 Y457 L466	D385-K455 WeakPolarHBondContact OD1-CD 3.36Å; D385-K455 IonicContact OD1-NZ 3.83Å; D385-K455 PolarHBondContact OD1-NZ 3.2Å; D385-K455 WeakPolarHBondContact OD2-CA 3.42Å; D385-K455 WeakPolarHBondContact OD2-CB 3.32Å; K455-Y457 HydrophobicContact CB-CE2 3.75Å; K455-Y457 HydrophobicContact CD-CE2 4.21Å; K455-Y457 WeakPolarHBondContact CD-OH 3.43Å; K455-L466 PolarHBondContact N-O 2.98Å; K455-L466 PolarHBondContact O-N 3.12Å
456	S	97.2	Very high	96.6	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	147.6	172.1	61.1	0	0	0	0	111.1	V384 D385 V439 W464	V384-S456 WeakPolarHBondContact CA-OG 3.4Å; D385-S456 WeakPolarHBondContact CA-O 3.45Å; D385-S456 WeakPolarHBondContact CB-O 3.41Å; D385-S456 PolarHBondContact N-O 3.36Å; D385-S456 PolarHBondContact OD2-N 2.83Å; D385-S456 VanDerWaalsContact OD2-O 3.13Å; V439-S456 WeakPolarHBondContact CG1-OG 3.31Å; S456-W464 CarbonylContact C-O 3.59Å; S456-W464 VanDerWaalsContact CA-O 3.31Å; S456-W464 WeakPolarHBondContact CA-O 3.32Å
457	Y	97.8	Very high	96.7	Very high	7 Å²	7	32.5 Å²	32.5	3%	0.027	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	155.7	-177.3	-60.4	-92.4	0	0	0	111.5	D385 P389 L392 K455 W464 L466	D385-Y457 HydrophobicContact CB-CD1 3.92Å; D385-Y457 HydrophobicContact CB-CE1 3.7Å; P389-Y457 HydrophobicContact CB-CD2 3.72Å; P389-Y457 HydrophobicContact CB-CE2 3.82Å; P389-Y457 HydrophobicContact CB-CG 4.21Å; P389-Y457 HydrophobicContact CG-CD2 3.81Å; P389-Y457 HydrophobicContact CG-CE2 4.4Å; P389-Y457 HydrophobicContact CG-CG 3.91Å; L392-Y457 WeakPolarHBondContact CD1-OH 3.21Å; K455-Y457 HydrophobicContact CB-CE2 3.75Å; K455-Y457 HydrophobicContact CD-CE2 4.21Å; K455-Y457 WeakPolarHBondContact CD-OH 3.43Å; Y457-W464 PolarHBondContact N-O 2.67Å; Y457-W464 PolarHBondContact O-N 3.19Å; Y457-L466 HydrophobicContact CD2-CD1 3.67Å; Y457-L466 HydrophobicContact CE2-CD1 3.87Å; Y457-L466 HydrophobicContact CE2-CD2 3.96Å
458	L	97.6	Very high	96.6	Very high	29 Å²	29	30.9 Å²	30.9	15%	0.152	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	106.3	169.4	-174.3	77.7	0	0	0	110.6	K377 L380 R381 V384 L426 E462	K377-L458 HydrophobicContact CD-CD2 4.42Å; K377-L458 HydrophobicContact CG-CD2 3.63Å; L380-L458 HydrophobicContact CD2-CD1 4.24Å; R381-L458 HydrophobicContact CG-CD2 3.47Å; R381-L458 VanDerWaalsContact CG-CD2 3.47Å; V384-L458 HydrophobicContact CG2-CB 4.27Å; L426-L458 HydrophobicContact CD1-CD1 3.79Å; L426-L458 HydrophobicContact CD2-CD1 3.8Å; L426-L458 HydrophobicContact CG-CD1 4.48Å; L458-E462 CarbonylContact C-O 3.55Å
459	V	96.6	Very high	96.5	Very high	13 Å²	13	28.6 Å²	28.6	8%	0.079	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	96.6	-178	-173.7	0	0	0	0	109.5	P389 E461 E462 W464	P389-V459 HydrophobicContact CG-CG2 3.68Å; V459-E461 PolarHBondContact O-N 2.95Å; V459-E462 PolarHBondContact N-O 3.16Å; V459-E462 PolarHBondContact O-N 2.79Å; V459-W464 HydrophobicContact CB-CD2 4.14Å; V459-W464 HydrophobicContact CB-CG 4.23Å; V459-W464 HydrophobicContact CB-CZ2 4.47Å; V459-W464 HydrophobicContact CG1-CZ2 4.21Å; V459-W464 HydrophobicContact CG2-CB 4.25Å; V459-W464 HydrophobicContact CG2-CD2 3.65Å; V459-W464 HydrophobicContact CG2-CE3 3.99Å; V459-W464 HydrophobicContact CG2-CG 3.77Å
460	G	94.6	Very high	96.4	Very high	54 Å²	54	28.6 Å²	28.6	56%	0.557	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	-94	178.6	0	0	0	0	0	113.1	K377	K377-G460 WeakPolarHBondContact CE-O 3.2Å; K377-G460 PolarHBondContact NZ-O 2.74Å
461	E	95.1	Very high	96.2	Very high	53 Å²	53	31.7 Å²	31.7	25%	0.248	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	10.5	177.8	-66.9	-64.2	137.8	0	0	112.7	H373 K377 L426 R427 V459	H373-E461 IonicContact CD2-OE2 3.2Å; H373-E461 IonicContact CE1-OE2 3.66Å; H373-E461 IonicContact NE2-OE2 2.74Å; H373-E461 PolarHBondContact NE2-OE2 2.66Å; K377-E461 IonicContact NZ-OE1 3.86Å; K377-E461 PolarHBondContact NZ-OE1 3.1Å; L426-E461 WeakPolarHBondContact CB-O 3.37Å; L426-E461 WeakPolarHBondContact CD1-O 3.35Å; L426-E461 PolarHBondContact N-O 3.45Å; R427-E461 IonicContact CZ-OE2 2.71Å; R427-E461 VanDerWaalsContact CZ-OE2 3.24Å; R427-E461 IonicContact NE-OE2 3Å; R427-E461 PolarHBondContact NE-OE2 3.41Å; R427-E461 IonicContact NH2-OE1 3.2Å; R427-E461 PolarHBondContact NH2-OE1 3.44Å; R427-E461 IonicContact NH2-OE2 2.84Å; R427-E461 PolarHBondContact NH2-OE2 3.07Å; V459-E461 PolarHBondContact O-N 2.95Å
462	E	96.6	Very high	96	Very high	65 Å²	65	31.8 Å²	31.8	30%	0.304	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.1	-174.6	-55.8	-174.9	147.2	0	0	112	M424 L458 V459 W464	M424-E462 CarbonylContact O-C 3.59Å; M424-E462 WeakPolarHBondContact O-CA 3.28Å; L458-E462 CarbonylContact C-O 3.55Å; V459-E462 PolarHBondContact N-O 3.16Å; V459-E462 PolarHBondContact O-N 2.79Å; E462-W464 PolarHBondContact OE2-NE1 3.39Å
463	L	97	Very high	95.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.7	164.8	173.9	64.8	0	0	0	108	L380 V384 M424 L426 L435 V439 V465	L380-L463 HydrophobicContact CD2-CB 4.23Å; L380-L463 HydrophobicContact CD2-CD1 4.36Å; L380-L463 HydrophobicContact CD2-CD2 4.36Å; V384-L463 HydrophobicContact CG1-CD1 3.69Å; M424-L463 HydrophobicContact CB-CB 4.48Å; M424-L463 HydrophobicContact CE-CB 4.43Å; M424-L463 HydrophobicContact CE-CD2 3.72Å; M424-L463 HydrophobicContact CE-CG 3.92Å; M424-L463 PolarHBondContact N-O 3.15Å; M424-L463 PolarHBondContact O-N 2.88Å; L426-L463 HydrophobicContact CD1-CB 3.94Å; L435-L463 HydrophobicContact CB-CD2 3.9Å; L435-L463 HydrophobicContact CD2-CD2 4.32Å; V439-L463 HydrophobicContact CG2-CD1 3.92Å; V439-L463 HydrophobicContact CG2-CD2 3.94Å; L463-V465 HydrophobicContact CD2-CG2 4.36Å; L463-V465 HydrophobicContact CG-CG2 4.21Å
464	W	97.5	Very high	95.8	Very high	18 Å²	18	28.2 Å²	28.2	7%	0.068	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.8	177.6	-76.1	28.7	0	0	0	109.2	P389 R390 Y396 V421 K422 M423 S456 Y457 V459 E462	P389-W464 HydrophobicContact CB-CE3 4.28Å; P389-W464 HydrophobicContact CG-CD2 4.31Å; P389-W464 HydrophobicContact CG-CE3 3.46Å; P389-W464 VanDerWaalsContact CG-CE3 3.46Å; P389-W464 HydrophobicContact CG-CZ3 3.94Å; R390-W464 HydrophobicContact CG-CH2 3.71Å; R390-W464 HydrophobicContact CG-CZ3 3.77Å; Y396-W464 HydrophobicContact CE1-CH2 4.24Å; Y396-W464 AromaticContact CE1-CZ3 3.82Å; Y396-W464 HydrophobicContact CE1-CZ3 3.82Å; Y396-W464 AromaticContact CZ-CZ3 3.88Å; Y396-W464 WeakPolarHBondContact OH-CZ3 3.32Å; V421-W464 HydrophobicContact CG1-CB 4.36Å; V421-W464 HydrophobicContact CG1-CD2 4.24Å; V421-W464 HydrophobicContact CG1-CE3 3.89Å; V421-W464 HydrophobicContact CG1-CG 4.46Å; K422-W464 WeakPolarHBondContact O-CA 3.48Å; M423-W464 HydrophobicContact CE-CD2 4.16Å; M423-W464 HydrophobicContact CE-CE3 4.03Å; M423-W464 HydrophobicContact CE-CH2 3.62Å; M423-W464 HydrophobicContact CE-CZ2 3.73Å; M423-W464 HydrophobicContact CE-CZ3 3.79Å; M423-W464 HydrophobicContact CG-CD2 4Å; M423-W464 HydrophobicContact CG-CG 4.11Å; M423-W464 HydrophobicContact CG-CZ2 4.32Å; M423-W464 HydrophobicContact SD-CH2 4.37Å; M423-W464 HydrophobicContact SD-CZ2 3.88Å; S456-W464 CarbonylContact C-O 3.59Å; S456-W464 VanDerWaalsContact CA-O 3.31Å; S456-W464 WeakPolarHBondContact CA-O 3.32Å; Y457-W464 PolarHBondContact N-O 2.67Å; Y457-W464 PolarHBondContact O-N 3.19Å; V459-W464 HydrophobicContact CB-CD2 4.14Å; V459-W464 HydrophobicContact CB-CG 4.23Å; V459-W464 HydrophobicContact CB-CZ2 4.47Å; V459-W464 HydrophobicContact CG1-CZ2 4.21Å; V459-W464 HydrophobicContact CG2-CB 4.25Å; V459-W464 HydrophobicContact CG2-CD2 3.65Å; V459-W464 HydrophobicContact CG2-CE3 3.99Å; V459-W464 HydrophobicContact CG2-CG 3.77Å; E462-W464 PolarHBondContact OE2-NE1 3.39Å
465	V	96.9	Very high	95.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.3	175.8	175.8	0	0	0	0	109.1	V421 K422 M424 E438 V439 M453 L463	V421-V465 CarbonylContact C-O 3.58Å; V421-V465 WeakPolarHBondContact CA-O 3.36Å; K422-V465 HydrophobicContact CB-CB 4.41Å; K422-V465 PolarHBondContact N-O 2.96Å; K422-V465 PolarHBondContact O-N 3.45Å; M424-V465 HydrophobicContact CE-CB 4.34Å; M424-V465 HydrophobicContact CE-CG2 3.66Å; E438-V465 HydrophobicContact CB-CG2 4.3Å; V439-V465 HydrophobicContact CG2-CG2 4.4Å; M453-V465 HydrophobicContact CG-CG1 3.79Å; M453-V465 HydrophobicContact SD-CG1 3.74Å; L463-V465 HydrophobicContact CD2-CG2 4.36Å; L463-V465 HydrophobicContact CG-CG2 4.21Å
466	L	96.7	Very high	95.7	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.031	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.8	177.5	-74.8	65.2	0	0	0	108.7	P389 L393 A420 V421 M453 Y454 K455 Y457	P389-L466 HydrophobicContact CB-CD1 4.31Å; L393-L466 HydrophobicContact CD1-CD2 3.82Å; L393-L466 HydrophobicContact CD1-CG 4.12Å; L393-L466 HydrophobicContact CD2-CD2 4.49Å; L393-L466 HydrophobicContact CG-CD2 4.38Å; A420-L466 WeakPolarHBondContact O-CA 3.39Å; V421-L466 HydrophobicContact CG1-CD1 4.34Å; V421-L466 HydrophobicContact CG2-CG 4.4Å; M453-L466 CarbonylContact C-O 3.55Å; M453-L466 WeakPolarHBondContact CG-O 3.5Å; Y454-L466 PolarHBondContact N-O 3.16Å; K455-L466 PolarHBondContact N-O 2.98Å; K455-L466 PolarHBondContact O-N 3.12Å; Y457-L466 HydrophobicContact CD2-CD1 3.67Å; Y457-L466 HydrophobicContact CE2-CD1 3.87Å; Y457-L466 HydrophobicContact CE2-CD2 3.96Å
467	M	95.9	Very high	95.4	Very high	20 Å²	20	24 Å²	24	10%	0.099	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	166.2	-174.7	63.4	-161.1	174.7	0	0	111.4	V407 A420 K422 V451 E452	V407-M467 HydrophobicContact CG1-CE 3.93Å; A420-M467 HydrophobicContact CB-CE 3.72Å; A420-M467 HydrophobicContact CB-CG 3.78Å; A420-M467 PolarHBondContact N-O 3.26Å; A420-M467 PolarHBondContact O-N 3.01Å; K422-M467 HydrophobicContact CB-CE 4.01Å; V451-M467 HydrophobicContact CG1-CB 3.93Å; V451-M467 HydrophobicContact CG1-CG 4.24Å; V451-M467 HydrophobicContact CG1-SD 4.27Å; E452-M467 CarbonylContact O-C 3.53Å; E452-M467 WeakPolarHBondContact O-CA 3.35Å; E452-M467 WeakPolarHBondContact O-CB 3.46Å
468	E	95.8	Very high	95.1	Very high	21 Å²	21	23.8 Å²	23.8	10%	0.098	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	143.3	175.2	73.5	-173.7	122.7	0	0	111.8	V451 E452 Y454 L470 K527	V451-E468 WeakPolarHBondContact CA-OE1 3.48Å; V451-E468 HydrophobicContact CG1-CG 4.17Å; E452-E468 HydrophobicContact CB-CG 4.49Å; E452-E468 PolarHBondContact N-OE1 2.87Å; E452-E468 PolarHBondContact O-N 2.92Å; Y454-E468 HydrophobicContact CE2-CB 4.3Å; Y454-E468 WeakPolarHBondContact OH-CA 3.41Å; Y454-E468 VanDerWaalsContact OH-CB 3.26Å; Y454-E468 WeakPolarHBondContact OH-CB 3.48Å; E468-L470 HydrophobicContact CG-CD1 4.48Å; E468-L470 HydrophobicContact CG-CD2 4.06Å; E468-L470 HydrophobicContact CG-CG 4.03Å; E468-K527 VanDerWaalsContact OE1-CD 3.31Å; E468-K527 WeakPolarHBondContact OE1-CD 3.21Å; E468-K527 WeakPolarHBondContact OE1-CE 3.44Å; E468-K527 IonicContact OE1-NZ 3.76Å; E468-K527 PolarHBondContact OE1-NZ 3.36Å; E468-K527 IonicContact OE2-NZ 2.64Å; E468-K527 PolarHBondContact OE2-NZ 3.07Å
469	F	96.5	Very high	94.8	Very high	43 Å²	43	22.8 Å²	22.8	19%	0.189	13%	0.133	C	C	.	.			trans	-94.6	109.3	176.9	176.1	-126.8	0	0	0	111.3	I399 I409 Q418 A420 Q471	I399-F469 HydrophobicContact CD1-CD2 4.07Å; I399-F469 HydrophobicContact CD1-CE2 3.7Å; I409-F469 HydrophobicContact CD1-CD1 3.48Å; I409-F469 VanDerWaalsContact CD1-CD1 3.48Å; I409-F469 HydrophobicContact CD1-CD2 4.45Å; I409-F469 HydrophobicContact CD1-CE1 3.28Å; I409-F469 HydrophobicContact CD1-CE2 4.3Å; I409-F469 HydrophobicContact CD1-CG 4.09Å; I409-F469 HydrophobicContact CD1-CZ 3.74Å; I409-F469 HydrophobicContact CG1-CD1 4.03Å; I409-F469 HydrophobicContact CG1-CD2 4.4Å; I409-F469 HydrophobicContact CG1-CE1 4.2Å; I409-F469 HydrophobicContact CG1-CG 4.15Å; I409-F469 HydrophobicContact CG1-CZ 4.47Å; Q418-F469 HydrophobicContact CB-CD1 4.1Å; A420-F469 HydrophobicContact CB-CB 4.42Å; A420-F469 HydrophobicContact CB-CD2 4.41Å; F469-Q471 HydrophobicContact CD1-CG 3.59Å; F469-Q471 HydrophobicContact CE1-CB 3.97Å; F469-Q471 HydrophobicContact CE1-CG 3.45Å; F469-Q471 VanDerWaalsContact CE1-CG 3.45Å; F469-Q471 HydrophobicContact CG-CG 4.4Å; F469-Q471 HydrophobicContact CZ-CB 4.26Å; F469-Q471 HydrophobicContact CZ-CG 4.18Å; F469-Q471 VanDerWaalsContact O-CD 3.23Å; F469-Q471 PolarHBondContact O-N 3.13Å; F469-Q471 PolarHBondContact O-NE2 3.37Å; F469-Q471 VanDerWaalsContact O-NE2 3.1Å
470	L	95.6	Very high	94.3	Very high	12 Å²	12	25.1 Å²	25.1	6%	0.063	15%	0.15	C	C	.	.			trans	-91.3	101	-178	-65.1	178.3	0	0	0	111.2	V451 E468 G472 G473 L519 L520 T521 K527	V451-L470 HydrophobicContact CG2-CD1 3.77Å; E468-L470 HydrophobicContact CG-CD1 4.48Å; E468-L470 HydrophobicContact CG-CD2 4.06Å; E468-L470 HydrophobicContact CG-CG 4.03Å; L470-G472 VanDerWaalsContact C-N 3.3Å; L470-G472 PolarHBondContact O-N 3.16Å; L470-G473 PolarHBondContact O-N 3.44Å; L470-L519 HydrophobicContact CB-CB 4.11Å; L470-L519 HydrophobicContact CD1-CB 3.41Å; L470-L519 VanDerWaalsContact CD1-CB 3.41Å; L470-L519 HydrophobicContact CD1-CD1 4.06Å; L470-L519 HydrophobicContact CD1-CG 4.38Å; L470-L519 HydrophobicContact CG-CB 4.39Å; L470-L520 CarbonylContact C-O 3.5Å; L470-T521 HydrophobicContact CD2-CG2 3.54Å; L470-K527 HydrophobicContact CD1-CB 3.88Å; L470-K527 HydrophobicContact CD1-CD 4.07Å; L470-K527 HydrophobicContact CD1-CG 4.48Å; L470-K527 HydrophobicContact CD2-CD 4.24Å
471	Q	93.8	Very high	93.8	Very high	69 Å²	69	26.2 Å²	26.2	32%	0.322	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-1	-165.4	-30.4	81.9	-7.9	0	0	114	F469 G473 L522 R661	F469-Q471 HydrophobicContact CD1-CG 3.59Å; F469-Q471 HydrophobicContact CE1-CB 3.97Å; F469-Q471 HydrophobicContact CE1-CG 3.45Å; F469-Q471 VanDerWaalsContact CE1-CG 3.45Å; F469-Q471 HydrophobicContact CG-CG 4.4Å; F469-Q471 HydrophobicContact CZ-CB 4.26Å; F469-Q471 HydrophobicContact CZ-CG 4.18Å; F469-Q471 VanDerWaalsContact O-CD 3.23Å; F469-Q471 PolarHBondContact O-N 3.13Å; F469-Q471 PolarHBondContact O-NE2 3.37Å; F469-Q471 VanDerWaalsContact O-NE2 3.1Å; Q471-G473 VanDerWaalsContact C-N 3.31Å; Q471-L522 HydrophobicContact CB-CD1 4.03Å; Q471-L522 HydrophobicContact CB-CD2 4.49Å; Q471-L522 HydrophobicContact CB-CG 3.99Å; Q471-L522 HydrophobicContact CG-CD1 4.48Å; Q471-R661 PolarHBondContact O-NH1 3.23Å
472	G	93.1	Very high	93.5	Very high	3 Å²	3	24.3 Å²	24.3	3%	0.031	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-19.3	166.5	0	0	0	0	0	113.1	L470 L520	L470-G472 VanDerWaalsContact C-N 3.3Å; L470-G472 PolarHBondContact O-N 3.16Å; G472-L520 WeakPolarHBondContact CA-O 3.35Å; G472-L520 PolarHBondContact N-O 3.11Å
473	G	93.1	Very high	93.1	Very high	24 Å²	24	26.8 Å²	26.8	25%	0.247	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84	-167.3	-177.9	0	0	0	0	0	113.3	L470 Q471 L519 L520	L470-G473 PolarHBondContact O-N 3.44Å; Q471-G473 VanDerWaalsContact C-N 3.31Å; G473-L519 WeakPolarHBondContact O-CA 3.27Å; G473-L520 PolarHBondContact O-N 3.05Å
474	A	93.8	Very high	93	Very high	7 Å²	7	27.1 Å²	27.1	6%	0.058	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	151.1	176.5	0	0	0	0	0	111.9	T476 D477 I518 L519	A474-T476 PolarHBondContact O-N 3.1Å; A474-D477 PolarHBondContact O-N 3.41Å; A474-I518 CarbonylContact C-O 3.59Å; A474-I518 WeakPolarHBondContact CA-O 3.37Å; A474-L519 HydrophobicContact CB-CD2 3.74Å
475	L	95.8	Very high	93	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-61.8	-30.2	-179.9	-178.1	63.6	0	0	0	112.3	D477 I478 V479 L484 V492 S515 I518 M576 M580	L475-D477 PolarHBondContact O-N 3.44Å; L475-I478 PolarHBondContact O-N 2.84Å; L475-V479 HydrophobicContact CD1-CG1 3.9Å; L475-V479 HydrophobicContact CG-CG1 3.86Å; L475-V479 PolarHBondContact O-N 3.03Å; L475-L484 HydrophobicContact CD1-CD2 4.47Å; L475-V492 HydrophobicContact CD2-CG1 3.83Å; L475-S515 WeakPolarHBondContact CB-O 3.43Å; L475-S515 PolarHBondContact N-O 2.65Å; L475-I518 HydrophobicContact CB-CB 3.99Å; L475-I518 HydrophobicContact CB-CG2 4.19Å; L475-I518 HydrophobicContact CD2-CB 4.17Å; L475-I518 HydrophobicContact CD2-CG2 4.11Å; L475-I518 PolarHBondContact N-O 3.31Å; L475-M576 HydrophobicContact CD2-CE 4.26Å; L475-M576 HydrophobicContact CD2-SD 4.48Å; L475-M580 HydrophobicContact CD2-CG 4.27Å; L475-M580 HydrophobicContact CD2-SD 4.02Å
476	T	93.1	Very high	93	Very high	30 Å²	30	31.2 Å²	31.2	18%	0.184	16%	0.163	C	C	.	.	H	α-helix	trans	-50.6	-43	175.3	-31.7	0	0	0	0	112.8	A474 I478 S480 S515 D516	A474-T476 PolarHBondContact O-N 3.1Å; T476-I478 PolarHBondContact O-N 2.74Å; T476-S480 VanDerWaalsContact O-CB 3.27Å; T476-S480 WeakPolarHBondContact O-CB 3.47Å; T476-S480 PolarHBondContact O-N 3.25Å; T476-S480 VanDerWaalsContact O-N 3.17Å; T476-S480 PolarHBondContact O-OG 3.15Å; T476-S515 WeakPolarHBondContact CA-OG 3.31Å; T476-S515 WeakPolarHBondContact CB-OG 3.25Å; T476-S515 VanDerWaalsContact OG1-C 3.28Å; T476-S515 PolarHBondContact OG1-OG 3.28Å; T476-S515 VanDerWaalsContact OG1-OG 3.06Å; T476-D516 WeakPolarHBondContact OG1-CA 3.38Å; T476-D516 PolarHBondContact OG1-N 3.34Å; T476-D516 PolarHBondContact OG1-OD1 3.09Å
477	D	89.5	Confident	93.1	Very high	30 Å²	30	34.8 Å²	34.8	16%	0.16	18%	0.179	C	C	.	.	H	α-helix	trans	-65.2	-28.3	-176.6	-89	-10.1	0	0	0	112.2	R101 A474 L475 S480 Q481 Y660	R101-D477 IonicContact CZ-OD1 3.83Å; R101-D477 IonicContact NE-OD1 2.62Å; R101-D477 IonicContact NH2-OD1 2.72Å; R101-D477 PolarHBondContact NH2-OD1 3.17Å; R101-D477 IonicContact NH2-OD2 3.36Å; R101-D477 PolarHBondContact NH2-OD2 3.37Å; A474-D477 PolarHBondContact O-N 3.41Å; L475-D477 PolarHBondContact O-N 3.44Å; D477-S480 PolarHBondContact O-OG 2.89Å; D477-Q481 PolarHBondContact O-NE2 3.18Å; D477-Y660 HydrophobicContact CB-CD1 4.29Å; D477-Y660 HydrophobicContact CB-CE1 3.67Å; D477-Y660 HydrophobicContact CB-CE2 3.98Å; D477-Y660 PolarHBondContact OD2-OH 3.13Å
478	I	91.6	Very high	93.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-84.8	-57	176.6	-60.4	-176.4	0	0	0	110.3	L475 T476 S480 Q481 I482 L484 L520 L656 I657 Y660	L475-I478 PolarHBondContact O-N 2.84Å; T476-I478 PolarHBondContact O-N 2.74Å; I478-S480 PolarHBondContact O-N 3.45Å; I478-S480 VanDerWaalsContact O-N 3.17Å; I478-Q481 PolarHBondContact O-N 3.45Å; I478-I482 HydrophobicContact CG2-CB 4.13Å; I478-I482 HydrophobicContact CG2-CD1 4.37Å; I478-I482 PolarHBondContact O-N 3.31Å; I478-L484 HydrophobicContact CG2-CD1 4.05Å; I478-L520 HydrophobicContact CD1-CD1 3.5Å; I478-L520 VanDerWaalsContact CD1-CD1 3.5Å; I478-L656 HydrophobicContact CD1-CB 4.14Å; I478-L656 HydrophobicContact CG2-CB 3.85Å; I478-L656 HydrophobicContact CG2-CD1 4.29Å; I478-I657 HydrophobicContact CD1-CG1 3.85Å; I478-Y660 HydrophobicContact CG1-CD1 4.43Å; I478-Y660 HydrophobicContact CG1-CG 4.46Å
479	V	91.8	Very high	93.3	Very high	9 Å²	9	33.9 Å²	33.9	6%	0.055	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-27.9	-171.5	-59.8	0	0	0	0	113.3	L475 Q481 L484 E579 M580	L475-V479 HydrophobicContact CD1-CG1 3.9Å; L475-V479 HydrophobicContact CG-CG1 3.86Å; L475-V479 PolarHBondContact O-N 3.03Å; V479-Q481 PolarHBondContact O-N 2.81Å; V479-L484 HydrophobicContact CG1-CD1 3.97Å; V479-E579 HydrophobicContact CG2-CG 4.32Å; V479-M580 HydrophobicContact CG1-CB 4.47Å; V479-M580 HydrophobicContact CG1-CG 3.89Å
480	S	85.8	Confident	93.5	Very high	61 Å²	61	31.9 Å²	31.9	43%	0.427	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-12.7	175.1	58.1	0	0	0	0	114.4	T476 D477 I478	T476-S480 VanDerWaalsContact O-CB 3.27Å; T476-S480 WeakPolarHBondContact O-CB 3.47Å; T476-S480 PolarHBondContact O-N 3.25Å; T476-S480 VanDerWaalsContact O-N 3.17Å; T476-S480 PolarHBondContact O-OG 3.15Å; D477-S480 PolarHBondContact O-OG 2.89Å; I478-S480 PolarHBondContact O-N 3.45Å; I478-S480 VanDerWaalsContact O-N 3.17Å
481	Q	84.3	Confident	93.6	Very high	78 Å²	78	31.5 Å²	31.5	36%	0.364	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-23	-172.2	-65	-177	65.4	0	0	114.9	D477 I478 V479 Y660 R663	D477-Q481 PolarHBondContact O-NE2 3.18Å; I478-Q481 PolarHBondContact O-N 3.45Å; V479-Q481 PolarHBondContact O-N 2.81Å; Q481-Y660 VanDerWaalsContact NE2-CE2 3.33Å; Q481-R663 PolarHBondContact O-NH1 3.17Å
482	I	89.4	Confident	93.8	Very high	12 Å²	12	28.2 Å²	28.2	6%	0.062	15%	0.149	C	C	.	.	S	Bend	trans	-137.1	125	-172.1	-55.2	168.8	0	0	0	107.3	I478 L656 Q659	I478-I482 HydrophobicContact CG2-CB 4.13Å; I478-I482 HydrophobicContact CG2-CD1 4.37Å; I478-I482 PolarHBondContact O-N 3.31Å; I482-L656 HydrophobicContact CG2-CD2 3.65Å; I482-Q659 HydrophobicContact CD1-CB 3.91Å; I482-Q659 HydrophobicContact CD1-CG 3.92Å
483	R	88.6	Confident	94.1	Very high	117 Å²	117	28.1 Å²	28.1	44%	0.442	15%	0.147	S	C	.	.	P	Polyproline II helix	trans	-81	128.5	175.8	-179.5	-178.2	176.5	105.9	1.7	109.4	V581 R612	R483-V581 PolarHBondContact NH1-O 3.28Å; R483-R612 PolarHBondContact NH2-O 2.97Å
484	L	95.1	Very high	94.4	Very high	7 Å²	7	29.5 Å²	29.5	4%	0.037	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-76.9	153.1	174.3	-78.1	59.3	0	0	0	111.1	L475 I478 V479 Q488 I489 M580 L656	L475-L484 HydrophobicContact CD1-CD2 4.47Å; I478-L484 HydrophobicContact CG2-CD1 4.05Å; V479-L484 HydrophobicContact CG1-CD1 3.97Å; L484-Q488 HydrophobicContact CB-CB 4.15Å; L484-Q488 HydrophobicContact CD2-CB 4.32Å; L484-Q488 HydrophobicContact CG-CB 4.17Å; L484-I489 HydrophobicContact CB-CD1 4.25Å; L484-I489 HydrophobicContact CB-CG1 3.82Å; L484-I489 HydrophobicContact CD2-CG1 4.16Å; L484-M580 HydrophobicContact CD2-CG 4.22Å; L484-M580 HydrophobicContact CD2-SD 3.97Å; L484-L656 HydrophobicContact CD1-CD1 4.07Å; L484-L656 HydrophobicContact CG-CD1 3.82Å
485	N	96.1	Very high	94.6	Very high	68 Å²	68	29.8 Å²	29.8	36%	0.364	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-84.6	173.1	164.1	76.7	5.3	0	0	0	110.5	E487 Q488 I489	N485-E487 PolarHBondContact ND2-OE2 2.99Å; N485-E487 VanDerWaalsContact ND2-OE2 3.09Å; N485-E487 PolarHBondContact O-N 3.26Å; N485-E487 WeakPolarHBondContact OD1-CB 3.38Å; N485-E487 PolarHBondContact OD1-N 3.27Å; N485-Q488 PolarHBondContact O-N 3.32Å; N485-Q488 VanDerWaalsContact OD1-CB 3.24Å; N485-Q488 WeakPolarHBondContact OD1-CB 3.4Å; N485-Q488 VanDerWaalsContact OD1-CD 3.31Å; N485-Q488 WeakPolarHBondContact OD1-CG 3.21Å; N485-Q488 PolarHBondContact OD1-N 2.8Å; N485-Q488 PolarHBondContact OD1-OE1 2.8Å; N485-I489 VanDerWaalsContact O-CG1 3.3Å; N485-I489 WeakPolarHBondContact O-CG1 3.37Å; N485-I489 PolarHBondContact O-N 3.42Å; N485-I489 VanDerWaalsContact O-N 3.09Å
486	E	97.8	Very high	94.8	Very high	37 Å²	37	29.9 Å²	29.9	17%	0.173	15%	0.15	C	C	.	.	H	α-helix	trans	-72.6	-26.1	-177.1	-65.1	-163.1	-168.5	0	0	114.3	I489 A490 T613 S614 L617 F643	E486-I489 PolarHBondContact O-N 2.64Å; E486-A490 WeakPolarHBondContact O-CB 3.06Å; E486-A490 PolarHBondContact O-N 2.85Å; E486-T613 VanDerWaalsContact OE1-CA 3.23Å; E486-T613 WeakPolarHBondContact OE1-CA 3.33Å; E486-S614 PolarHBondContact OE1-N 2.89Å; E486-S614 WeakPolarHBondContact OE2-CB 3.31Å; E486-S614 PolarHBondContact OE2-OG 3.13Å; E486-L617 HydrophobicContact CG-CD2 3.88Å; E486-F643 HydrophobicContact CB-CE2 4.15Å; E486-F643 WeakPolarHBondContact O-CZ 3.49Å
487	E	98.3	Very high	95	Very high	81 Å²	81	28.4 Å²	28.4	38%	0.379	14%	0.141	S	C	.	.	H	α-helix	trans	-61.7	-50.2	170.8	165.5	-167.2	-144.3	0	0	111	N485 I489 A490 T491 Q646 C652	N485-E487 PolarHBondContact ND2-OE2 2.99Å; N485-E487 VanDerWaalsContact ND2-OE2 3.09Å; N485-E487 PolarHBondContact O-N 3.26Å; N485-E487 WeakPolarHBondContact OD1-CB 3.38Å; N485-E487 PolarHBondContact OD1-N 3.27Å; E487-I489 VanDerWaalsContact C-N 3.34Å; E487-I489 PolarHBondContact O-N 3.23Å; E487-A490 WeakPolarHBondContact O-CB 3.34Å; E487-A490 PolarHBondContact O-N 3.21Å; E487-A490 VanDerWaalsContact O-N 3.13Å; E487-T491 PolarHBondContact O-N 3.37Å; E487-T491 PolarHBondContact O-OG1 3.01Å; E487-T491 VanDerWaalsContact O-OG1 3.11Å; E487-Q646 WeakPolarHBondContact CA-O 3.3Å; E487-C652 HydrophobicContact CG-CB 4.43Å
488	Q	98.5	Very high	95.5	Very high	19 Å²	19	30 Å²	30	9%	0.089	15%	0.147	C	C	.	.	H	α-helix	trans	-63.8	-38.4	177.3	-70.3	163.8	-21	0	0	111.7	L484 N485 V492 C652 L653 L656	L484-Q488 HydrophobicContact CB-CB 4.15Å; L484-Q488 HydrophobicContact CD2-CB 4.32Å; L484-Q488 HydrophobicContact CG-CB 4.17Å; N485-Q488 PolarHBondContact O-N 3.32Å; N485-Q488 VanDerWaalsContact OD1-CB 3.24Å; N485-Q488 WeakPolarHBondContact OD1-CB 3.4Å; N485-Q488 VanDerWaalsContact OD1-CD 3.31Å; N485-Q488 WeakPolarHBondContact OD1-CG 3.21Å; N485-Q488 PolarHBondContact OD1-N 2.8Å; N485-Q488 PolarHBondContact OD1-OE1 2.8Å; Q488-V492 WeakPolarHBondContact O-CG2 3.44Å; Q488-V492 PolarHBondContact O-N 2.75Å; Q488-V492 VanDerWaalsContact O-N 3.09Å; Q488-C652 HydrophobicContact CG-CB 4.44Å; Q488-C652 PolarHBondContact NE2-O 3.44Å; Q488-L653 HydrophobicContact CB-CD2 3.7Å; Q488-L653 HydrophobicContact CG-CD2 3.91Å; Q488-L656 HydrophobicContact CB-CD1 4.48Å; Q488-L656 HydrophobicContact CG-CD1 4.28Å
489	I	98.5	Very high	95.8	Very high	3 Å²	3	30 Å²	30	2%	0.015	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-41.2	172.9	-67.3	167.4	0	0	0	110.3	L484 N485 E486 E487 V492 C493 M580 V581 L617 F643	L484-I489 HydrophobicContact CB-CD1 4.25Å; L484-I489 HydrophobicContact CB-CG1 3.82Å; L484-I489 HydrophobicContact CD2-CG1 4.16Å; N485-I489 VanDerWaalsContact O-CG1 3.3Å; N485-I489 WeakPolarHBondContact O-CG1 3.37Å; N485-I489 PolarHBondContact O-N 3.42Å; N485-I489 VanDerWaalsContact O-N 3.09Å; E486-I489 PolarHBondContact O-N 2.64Å; E487-I489 VanDerWaalsContact C-N 3.34Å; E487-I489 PolarHBondContact O-N 3.23Å; I489-V492 PolarHBondContact O-N 2.6Å; I489-C493 VanDerWaalsContact O-CB 3.31Å; I489-C493 WeakPolarHBondContact O-CB 3.32Å; I489-C493 PolarHBondContact O-N 3.2Å; I489-C493 PolarHBondContact O-SG 3.31Å; I489-M580 HydrophobicContact CD1-CB 4.3Å; I489-M580 HydrophobicContact CG1-CB 4.08Å; I489-M580 HydrophobicContact CG1-SD 4.3Å; I489-M580 HydrophobicContact CG2-CE 4.1Å; I489-M580 HydrophobicContact CG2-SD 4.5Å; I489-V581 HydrophobicContact CD1-CG2 3.72Å; I489-L617 HydrophobicContact CG2-CD1 4.44Å; I489-F643 HydrophobicContact CB-CZ 4.18Å; I489-F643 HydrophobicContact CG2-CE1 4.07Å; I489-F643 HydrophobicContact CG2-CZ 3.78Å
490	A	98.8	Very high	96.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62	-48.4	174.9	0	0	0	0	0	111.8	E486 E487 V492 C493 E494 F643 L644 Q646	E486-A490 WeakPolarHBondContact O-CB 3.06Å; E486-A490 PolarHBondContact O-N 2.85Å; E487-A490 WeakPolarHBondContact O-CB 3.34Å; E487-A490 PolarHBondContact O-N 3.21Å; E487-A490 VanDerWaalsContact O-N 3.13Å; A490-V492 VanDerWaalsContact C-N 3.33Å; A490-V492 PolarHBondContact O-N 3.23Å; A490-C493 PolarHBondContact O-N 2.76Å; A490-C493 VanDerWaalsContact O-N 3.12Å; A490-E494 WeakPolarHBondContact O-CB 3.41Å; A490-E494 PolarHBondContact O-N 3.13Å; A490-F643 HydrophobicContact CB-CD1 4.31Å; A490-F643 HydrophobicContact CB-CE1 3.77Å; A490-F643 HydrophobicContact CB-CZ 4.03Å; A490-L644 HydrophobicContact CB-CD2 4.09Å; A490-Q646 HydrophobicContact CB-CG 4.04Å
491	T	98.8	Very high	96.8	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.031	13%	0.132	C	C	.	.	H	α-helix	trans	-58.1	-40.5	177.2	-54.7	0	0	0	0	113.2	E487 S495 G648 C652 L653	E487-T491 PolarHBondContact O-N 3.37Å; E487-T491 PolarHBondContact O-OG1 3.01Å; E487-T491 VanDerWaalsContact O-OG1 3.11Å; T491-S495 WeakPolarHBondContact O-CB 3.39Å; T491-S495 PolarHBondContact O-N 3.48Å; T491-S495 PolarHBondContact O-OG 3.4Å; T491-G648 WeakPolarHBondContact CG2-O 3.3Å; T491-G648 WeakPolarHBondContact OG1-CA 3.09Å; T491-G648 PolarHBondContact OG1-N 2.79Å; T491-G648 PolarHBondContact OG1-O 2.81Å; T491-C652 PolarHBondContact OG1-SG 2.84Å; T491-L653 HydrophobicContact CG2-CD1 3.91Å; T491-L653 HydrophobicContact CG2-CG 4.44Å
492	V	98.8	Very high	97.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.8	-47.6	173.4	172.3	0	0	0	0	111.1	L475 Q488 I489 A490 S495 V496 I518 V526 M576 M580 L653	L475-V492 HydrophobicContact CD2-CG1 3.83Å; Q488-V492 WeakPolarHBondContact O-CG2 3.44Å; Q488-V492 PolarHBondContact O-N 2.75Å; Q488-V492 VanDerWaalsContact O-N 3.09Å; I489-V492 PolarHBondContact O-N 2.6Å; A490-V492 VanDerWaalsContact C-N 3.33Å; A490-V492 PolarHBondContact O-N 3.23Å; V492-S495 PolarHBondContact O-N 3.49Å; V492-V496 WeakPolarHBondContact O-CG2 3.31Å; V492-V496 PolarHBondContact O-N 2.85Å; V492-I518 HydrophobicContact CG1-CG2 4.5Å; V492-V526 HydrophobicContact CG1-CG1 4.49Å; V492-V526 HydrophobicContact CG2-CG2 4.23Å; V492-M576 HydrophobicContact CG1-CE 3.79Å; V492-M580 HydrophobicContact CB-SD 4.08Å; V492-M580 HydrophobicContact CG1-CE 4.2Å; V492-M580 HydrophobicContact CG1-SD 3.79Å; V492-L653 HydrophobicContact CG2-CD1 3.94Å; V492-L653 HydrophobicContact CG2-CD2 4.07Å
493	C	98.8	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.5	-44.7	-178.2	-69.2	0	0	0	0	112.2	I489 A490 V496 L497 F620 L644	I489-C493 VanDerWaalsContact O-CB 3.31Å; I489-C493 WeakPolarHBondContact O-CB 3.32Å; I489-C493 PolarHBondContact O-N 3.2Å; I489-C493 PolarHBondContact O-SG 3.31Å; A490-C493 PolarHBondContact O-N 2.76Å; A490-C493 VanDerWaalsContact O-N 3.12Å; C493-V496 PolarHBondContact O-N 3.18Å; C493-L497 VanDerWaalsContact O-CB 3.25Å; C493-L497 WeakPolarHBondContact O-CB 3.38Å; C493-L497 WeakPolarHBondContact O-CD1 3.47Å; C493-L497 WeakPolarHBondContact O-CG 3.26Å; C493-L497 PolarHBondContact O-N 3.34Å; C493-F620 HydrophobicContact CB-CE1 3.85Å; C493-F620 HydrophobicContact CB-CZ 4.01Å; C493-L644 HydrophobicContact CB-CD2 4.1Å
494	E	98.8	Very high	98.3	Very high	53 Å²	53	22.4 Å²	22.4	25%	0.248	11%	0.11	C	C	.	.	H	α-helix	trans	-59.2	-49.4	177.5	-172.1	-176.2	-63.7	0	0	110.9	A490 V496 L497 Q498 L639 L644 T647	A490-E494 WeakPolarHBondContact O-CB 3.41Å; A490-E494 PolarHBondContact O-N 3.13Å; E494-V496 VanDerWaalsContact C-N 3.33Å; E494-V496 PolarHBondContact O-N 2.9Å; E494-L497 PolarHBondContact O-N 2.79Å; E494-Q498 HydrophobicContact CG-CG 4.47Å; E494-Q498 VanDerWaalsContact O-CG 3.3Å; E494-Q498 WeakPolarHBondContact O-CG 3.33Å; E494-Q498 PolarHBondContact O-N 3.24Å; E494-Q498 PolarHBondContact OE2-NE2 3.23Å; E494-L639 HydrophobicContact CG-CD2 4.2Å; E494-L644 HydrophobicContact CB-CD1 4.14Å; E494-L644 HydrophobicContact CB-CD2 4.16Å; E494-L644 HydrophobicContact CG-CD1 4.29Å; E494-T647 WeakPolarHBondContact OE1-CB 3.44Å; E494-T647 WeakPolarHBondContact OE1-CG2 3.41Å; E494-T647 PolarHBondContact OE1-OG1 3.32Å
495	S	98.8	Very high	98.5	Very high	14 Å²	14	25.9 Å²	25.9	10%	0.098	14%	0.135	C	C	.	.	H	α-helix	trans	-58.4	-42.6	178.7	-63.1	0	0	0	0	112.8	N449 T491 V492 A499	N449-S495 WeakPolarHBondContact CB-O 3.5Å; N449-S495 WeakPolarHBondContact ND2-CB 3.26Å; T491-S495 WeakPolarHBondContact O-CB 3.39Å; T491-S495 PolarHBondContact O-N 3.48Å; T491-S495 PolarHBondContact O-OG 3.4Å; V492-S495 PolarHBondContact O-N 3.49Å; S495-A499 PolarHBondContact O-N 2.87Å
496	V	98.9	Very high	98.5	Very high	2 Å²	2	27 Å²	27	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-72.9	-36.5	178	176.6	0	0	0	0	111.3	V492 C493 E494 A499 L500 I518 V526 L573 M576	V492-V496 WeakPolarHBondContact O-CG2 3.31Å; V492-V496 PolarHBondContact O-N 2.85Å; C493-V496 PolarHBondContact O-N 3.18Å; E494-V496 VanDerWaalsContact C-N 3.33Å; E494-V496 PolarHBondContact O-N 2.9Å; V496-A499 PolarHBondContact O-N 2.9Å; V496-L500 HydrophobicContact CG1-CD1 4Å; V496-L500 HydrophobicContact CG1-CG 4.28Å; V496-L500 WeakPolarHBondContact O-CB 3.44Å; V496-L500 WeakPolarHBondContact O-CG 3.27Å; V496-L500 PolarHBondContact O-N 2.89Å; V496-I518 HydrophobicContact CG1-CD1 4.33Å; V496-I518 HydrophobicContact CG2-CD1 3.48Å; V496-I518 VanDerWaalsContact CG2-CD1 3.48Å; V496-I518 HydrophobicContact CG2-CG1 4.17Å; V496-I518 HydrophobicContact CG2-CG2 4.48Å; V496-V526 HydrophobicContact CG2-CG1 4.35Å; V496-L573 HydrophobicContact CB-CD1 4.43Å; V496-L573 HydrophobicContact CG1-CD1 4.03Å; V496-M576 HydrophobicContact CG2-CE 4.48Å
497	L	98.9	Very high	98.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-68.3	-34.6	175.2	-75.4	166.7	0	0	0	112.5	C493 E494 L500 A501 I570 L573 F620 A635 L638 L639 L644	C493-L497 VanDerWaalsContact O-CB 3.25Å; C493-L497 WeakPolarHBondContact O-CB 3.38Å; C493-L497 WeakPolarHBondContact O-CD1 3.47Å; C493-L497 WeakPolarHBondContact O-CG 3.26Å; C493-L497 PolarHBondContact O-N 3.34Å; E494-L497 PolarHBondContact O-N 2.79Å; L497-L500 PolarHBondContact O-N 2.94Å; L497-A501 WeakPolarHBondContact O-CB 3.42Å; L497-A501 PolarHBondContact O-N 2.91Å; L497-I570 HydrophobicContact CD2-CD1 4.37Å; L497-L573 HydrophobicContact CD1-CD2 4.36Å; L497-L573 HydrophobicContact CD2-CD2 3.55Å; L497-L573 HydrophobicContact CG-CD2 3.71Å; L497-F620 HydrophobicContact CD1-CE2 4.16Å; L497-F620 HydrophobicContact CD1-CZ 3.75Å; L497-A635 HydrophobicContact CD2-CB 4.15Å; L497-L638 HydrophobicContact CD1-CB 3.76Å; L497-L638 HydrophobicContact CD2-CB 3.81Å; L497-L638 HydrophobicContact CD2-CD1 4.09Å; L497-L638 HydrophobicContact CG-CB 4.46Å; L497-L639 HydrophobicContact CB-CD2 3.55Å; L497-L639 HydrophobicContact CB-CG 3.93Å; L497-L644 HydrophobicContact CD1-CD1 4Å
498	Q	98.8	Very high	98.4	Very high	64 Å²	64	22 Å²	22	30%	0.299	12%	0.118	S	C	.	.	H	α-helix	trans	-63.1	-46	172.1	-71.9	170.1	4.5	0	0	110.6	N449 E494 Y502 L639	N449-Q498 PolarHBondContact OD1-OE1 2.99Å; E494-Q498 HydrophobicContact CG-CG 4.47Å; E494-Q498 VanDerWaalsContact O-CG 3.3Å; E494-Q498 WeakPolarHBondContact O-CG 3.33Å; E494-Q498 PolarHBondContact O-N 3.24Å; E494-Q498 PolarHBondContact OE2-NE2 3.23Å; Q498-Y502 PolarHBondContact O-N 3.18Å; Q498-Y502 VanDerWaalsContact O-N 3.16Å; Q498-L639 HydrophobicContact CG-CD1 4.47Å; Q498-L639 HydrophobicContact CG-CD2 3.86Å
499	A	98.7	Very high	98.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.4	-46.2	173.2	0	0	0	0	0	112.7	N449 V450 S495 V496 Y502 L503 L528	N449-A499 HydrophobicContact CB-CB 4.04Å; V450-A499 HydrophobicContact CG2-CB 4.07Å; S495-A499 PolarHBondContact O-N 2.87Å; V496-A499 PolarHBondContact O-N 2.9Å; A499-Y502 PolarHBondContact O-N 3.13Å; A499-L503 WeakPolarHBondContact O-CB 3.35Å; A499-L503 VanDerWaalsContact O-CG 3.28Å; A499-L503 WeakPolarHBondContact O-CG 3.38Å; A499-L503 PolarHBondContact O-N 3.49Å; A499-L528 HydrophobicContact CB-CB 4.41Å; A499-L528 HydrophobicContact CB-CD2 4.26Å
500	L	98.8	Very high	98.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66.4	-43.7	179.9	-73.3	177.2	0	0	0	112	V496 L497 Y502 L503 H504 H510 I513 D569 I570 L573 A635	V496-L500 HydrophobicContact CG1-CD1 4Å; V496-L500 HydrophobicContact CG1-CG 4.28Å; V496-L500 WeakPolarHBondContact O-CB 3.44Å; V496-L500 WeakPolarHBondContact O-CG 3.27Å; V496-L500 PolarHBondContact O-N 2.89Å; L497-L500 PolarHBondContact O-N 2.94Å; L500-Y502 VanDerWaalsContact C-N 3.31Å; L500-Y502 PolarHBondContact O-N 2.68Å; L500-L503 PolarHBondContact O-N 3.36Å; L500-H504 WeakPolarHBondContact O-CB 3.44Å; L500-H504 PolarHBondContact O-CD2 2.92Å; L500-H504 VanDerWaalsContact O-CD2 3.31Å; L500-H504 PolarHBondContact O-N 3.13Å; L500-H510 HydrophobicContact CD2-CB 4.41Å; L500-I513 HydrophobicContact CD2-CD1 3.96Å; L500-I513 HydrophobicContact CD2-CG1 4.29Å; L500-D569 HydrophobicContact CD1-CB 4.19Å; L500-D569 HydrophobicContact CD2-CB 3.83Å; L500-I570 HydrophobicContact CD1-CD1 4.37Å; L500-L573 HydrophobicContact CD1-CD2 4.41Å; L500-A635 HydrophobicContact CB-CB 4.05Å
501	A	98.8	Very high	98.3	Very high	20 Å²	20	21.4 Å²	21.4	17%	0.165	12%	0.115	C	C	.	.	H	α-helix	trans	-59.5	-42.4	177	0	0	0	0	0	111.6	L497 S505 A635 L639	L497-A501 WeakPolarHBondContact O-CB 3.42Å; L497-A501 PolarHBondContact O-N 2.91Å; A501-S505 WeakPolarHBondContact O-CB 3.41Å; A501-S505 PolarHBondContact O-N 3.04Å; A501-A635 HydrophobicContact CB-CB 3.88Å; A501-L639 HydrophobicContact CB-CD1 3.93Å
502	Y	98.6	Very high	98.2	Very high	67 Å²	67	21.5 Å²	21.5	26%	0.263	12%	0.115	S	C	.	.	H	α-helix	trans	-60.6	-55.5	172.8	172.6	-111	0	0	0	111.9	Y445 Q446 H447 Q498 A499 L500 H504 S505 Q506	Y445-Y502 HydrophobicContact CD1-CE1 4.48Å; Q446-Y502 PolarHBondContact O-OH 3.11Å; H447-Y502 HydrophobicContact CB-CD1 3.67Å; H447-Y502 HydrophobicContact CB-CE1 3.92Å; H447-Y502 HydrophobicContact CB-CG 4.37Å; Q498-Y502 PolarHBondContact O-N 3.18Å; Q498-Y502 VanDerWaalsContact O-N 3.16Å; A499-Y502 PolarHBondContact O-N 3.13Å; L500-Y502 VanDerWaalsContact C-N 3.31Å; L500-Y502 PolarHBondContact O-N 2.68Å; Y502-H504 PolarHBondContact O-N 2.89Å; Y502-S505 WeakPolarHBondContact O-CB 3.36Å; Y502-S505 PolarHBondContact O-N 2.73Å; Y502-S505 PolarHBondContact O-OG 3.19Å; Y502-Q506 PolarHBondContact O-N 3.22Å
503	L	98.3	Very high	98.1	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-61.2	-42.2	-178.8	-69.9	166.7	0	0	0	112.5	Y445 A499 L500 S505 Q506 G507 V508 L528 F531	Y445-L503 HydrophobicContact CG-CD2 4.33Å; A499-L503 WeakPolarHBondContact O-CB 3.35Å; A499-L503 VanDerWaalsContact O-CG 3.28Å; A499-L503 WeakPolarHBondContact O-CG 3.38Å; A499-L503 PolarHBondContact O-N 3.49Å; L500-L503 PolarHBondContact O-N 3.36Å; L503-S505 VanDerWaalsContact C-N 3.33Å; L503-S505 PolarHBondContact O-N 3.38Å; L503-Q506 CarbonylContact O-C 3.57Å; L503-Q506 PolarHBondContact O-N 3.43Å; L503-Q506 VanDerWaalsContact O-N 3.1Å; L503-G507 PolarHBondContact O-N 2.9Å; L503-V508 CarbonylContact C-O 3.58Å; L503-V508 HydrophobicContact CB-CB 4.18Å; L503-V508 HydrophobicContact CD2-CB 4.23Å; L503-V508 HydrophobicContact CD2-CG1 4.17Å; L503-V508 PolarHBondContact O-N 3.26Å; L503-L528 HydrophobicContact CD1-CD2 3.89Å; L503-F531 HydrophobicContact CD1-CE1 3.95Å
504	H	98.3	Very high	98	Very high	28 Å²	28	21.8 Å²	21.8	13%	0.13	12%	0.116	C	C	.	.	H	α-helix	trans	-64.6	-36.5	178.5	-68.9	-174.1	0	0	0	111.7	L500 Y502 Q506 G507 V508 T566 D569	L500-H504 WeakPolarHBondContact O-CB 3.44Å; L500-H504 PolarHBondContact O-CD2 2.92Å; L500-H504 VanDerWaalsContact O-CD2 3.31Å; L500-H504 PolarHBondContact O-N 3.13Å; Y502-H504 PolarHBondContact O-N 2.89Å; H504-Q506 PolarHBondContact O-N 3.28Å; H504-G507 PolarHBondContact O-N 2.77Å; H504-V508 PolarHBondContact CD2-O 2.85Å; H504-T566 HydrophobicContact CB-CG2 3.83Å; H504-T566 PolarHBondContact CE1-O 2.77Å; H504-T566 VanDerWaalsContact CE1-O 3.24Å; H504-D569 IonicContact CD2-OD2 2.68Å; H504-D569 IonicContact CE1-OD2 3.75Å; H504-D569 IonicContact NE2-OD2 3.92Å; H504-D569 PolarHBondContact NE2-OD2 3.31Å
505	S	97.6	Very high	97.9	Very high	80 Å²	80	19.2 Å²	19.2	56%	0.559	11%	0.105	S	C	*	.	H	α-helix	trans	-61.4	-26.6	174.3	79.5	0	0	0	0	113.2	A501 Y502 L503	A501-S505 WeakPolarHBondContact O-CB 3.41Å; A501-S505 PolarHBondContact O-N 3.04Å; Y502-S505 WeakPolarHBondContact O-CB 3.36Å; Y502-S505 PolarHBondContact O-N 2.73Å; Y502-S505 PolarHBondContact O-OG 3.19Å; L503-S505 VanDerWaalsContact C-N 3.33Å; L503-S505 PolarHBondContact O-N 3.38Å
506	Q	97	Very high	97.6	Very high	92 Å²	92	19.6 Å²	19.6	43%	0.43	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	5.4	177.7	-53	-52.5	-58.7	0	0	113.2	Y445 Y502 L503 H504 V508	Y445-Q506 HydrophobicContact CD1-CB 4.07Å; Y445-Q506 HydrophobicContact CD1-CG 3.94Å; Y445-Q506 HydrophobicContact CE1-CB 3.46Å; Y445-Q506 VanDerWaalsContact CE1-CB 3.46Å; Y445-Q506 HydrophobicContact CE1-CG 3.68Å; Y502-Q506 PolarHBondContact O-N 3.22Å; L503-Q506 CarbonylContact O-C 3.57Å; L503-Q506 PolarHBondContact O-N 3.43Å; L503-Q506 VanDerWaalsContact O-N 3.1Å; H504-Q506 PolarHBondContact O-N 3.28Å; Q506-V508 VanDerWaalsContact C-N 3.32Å; Q506-V508 HydrophobicContact CB-CG2 4.45Å; Q506-V508 PolarHBondContact O-N 2.8Å
507	G	96.8	Very high	97.5	Very high	13 Å²	13	19.6 Å²	19.6	13%	0.134	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	23	-177.2	0	0	0	0	0	114.1	L503 H504 Q536 I537	L503-G507 PolarHBondContact O-N 2.9Å; H504-G507 PolarHBondContact O-N 2.77Å; G507-Q536 CarbonylContact O-C 3.52Å; G507-Q536 WeakPolarHBondContact O-CA 3.19Å; G507-I537 WeakPolarHBondContact O-CG1 3.25Å; G507-I537 PolarHBondContact O-N 3.41Å
508	V	97.8	Very high	97.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126.9	173.1	-177.7	0	0	0	0	109.4	I441 Y445 L503 H504 Q506 C534	I441-V508 HydrophobicContact CD1-CG1 4.2Å; I441-V508 HydrophobicContact CD1-CG2 4.3Å; I441-V508 HydrophobicContact CG2-CG1 4.17Å; Y445-V508 HydrophobicContact CD2-CG2 3.99Å; Y445-V508 HydrophobicContact CE1-CG2 4.28Å; Y445-V508 HydrophobicContact CE2-CG2 3.55Å; L503-V508 CarbonylContact C-O 3.58Å; L503-V508 HydrophobicContact CB-CB 4.18Å; L503-V508 HydrophobicContact CD2-CB 4.23Å; L503-V508 HydrophobicContact CD2-CG1 4.17Å; L503-V508 PolarHBondContact O-N 3.26Å; H504-V508 PolarHBondContact CD2-O 2.85Å; Q506-V508 VanDerWaalsContact C-N 3.32Å; Q506-V508 HydrophobicContact CB-CG2 4.45Å; Q506-V508 PolarHBondContact O-N 2.8Å; V508-C534 HydrophobicContact CG1-CB 4.38Å
509	I	98.1	Very high	97.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.7	174.8	-44.4	163.5	0	0	0	107.9	R511 C534 A535 I537 R544 T566 V568 D569	I509-R511 HydrophobicContact CB-CG 4.04Å; I509-R511 HydrophobicContact CG2-CG 3.45Å; I509-R511 VanDerWaalsContact CG2-CG 3.45Å; I509-C534 CarbonylContact O-C 3.58Å; I509-C534 WeakPolarHBondContact O-CA 3.39Å; I509-A535 PolarHBondContact N-O 3.34Å; I509-A535 PolarHBondContact O-N 3.48Å; I509-I537 HydrophobicContact CD1-CD1 4.5Å; I509-I537 HydrophobicContact CD1-CG1 4.43Å; I509-I537 HydrophobicContact CD1-CG2 3.77Å; I509-R544 HydrophobicContact CD1-CG 3.97Å; I509-T566 HydrophobicContact CG1-CG2 3.93Å; I509-V568 HydrophobicContact CG2-CG2 3.58Å; I509-D569 WeakPolarHBondContact CG2-OD2 3.29Å
510	H	97.9	Very high	97.3	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.101	C	C	.	.			trans	-76.3	-50.6	-175.3	-165.8	-103.5	0	0	0	113	L500 D512 I513 S529 F531 F533 C534 D569	L500-H510 HydrophobicContact CD2-CB 4.41Å; H510-D512 PolarHBondContact O-N 3.38Å; H510-I513 HydrophobicContact CB-CD1 3.95Å; H510-I513 HydrophobicContact CB-CG1 4.11Å; H510-I513 WeakPolarHBondContact ND1-CD1 3.36Å; H510-S529 PolarHBondContact CE1-O 2.66Å; H510-S529 VanDerWaalsContact CE1-O 3.28Å; H510-S529 PolarHBondContact NE2-O 3.25Å; H510-S529 VanDerWaalsContact NE2-O 3.13Å; H510-F531 AromaticContact CD2-CD1 3.78Å; H510-F531 AromaticContact CD2-CE1 3.82Å; H510-F531 AromaticContact NE2-CD1 3.96Å; H510-F533 CarbonylContact O-C 3.58Å; H510-C534 PolarHBondContact O-N 2.58Å; H510-D569 PolarHBondContact N-OD1 2.92Å; H510-D569 PolarHBondContact N-OD2 3.35Å
511	R	96.9	Very high	97.2	Very high	9 Å²	9	18.6 Å²	18.6	3%	0.034	10%	0.102	C	C	.	.			trans	66.8	5.3	176.7	-48	-176.2	-60.7	171.3	1.3	116.9	I509 F533 C534 S546 G549 Y564 V568 D569	I509-R511 HydrophobicContact CB-CG 4.04Å; I509-R511 HydrophobicContact CG2-CG 3.45Å; I509-R511 VanDerWaalsContact CG2-CG 3.45Å; R511-F533 PolarHBondContact NE-O 2.94Å; R511-F533 PolarHBondContact NH2-O 3.04Å; R511-C534 PolarHBondContact NH2-O 2.84Å; R511-S546 PolarHBondContact NH1-OG 3.42Å; R511-G549 WeakPolarHBondContact O-CA 3.48Å; R511-Y564 HydrophobicContact CG-CE2 4.43Å; R511-Y564 PolarHBondContact NH1-OH 2.86Å; R511-Y564 VanDerWaalsContact NH1-OH 3.12Å; R511-V568 HydrophobicContact CG-CG2 4.21Å; R511-D569 WeakPolarHBondContact CA-OD1 3.46Å; R511-D569 PolarHBondContact N-OD1 3Å
512	D	95.8	Very high	97.1	Very high	6 Å²	6	21.4 Å²	21.4	3%	0.032	11%	0.114	C	C	.	.			trans	-140.6	40.8	173.4	-147.5	28.1	0	0	0	113.5	H510 K514 F533 T550	H510-D512 PolarHBondContact O-N 3.38Å; D512-K514 PolarHBondContact O-N 2.93Å; D512-K514 IonicContact OD1-NZ 2.69Å; D512-K514 WeakPolarHBondContact OD2-CE 3.46Å; D512-K514 IonicContact OD2-NZ 3.51Å; D512-K514 PolarHBondContact OD2-NZ 2.87Å; D512-F533 HydrophobicContact CB-CB 4.08Å; D512-F533 HydrophobicContact CB-CD2 3.89Å; D512-F533 HydrophobicContact CB-CG 4.48Å; D512-F533 WeakPolarHBondContact OD2-CD2 3.37Å; D512-T550 VanDerWaalsContact OD1-CB 3.27Å; D512-T550 WeakPolarHBondContact OD1-CB 3.41Å; D512-T550 PolarHBondContact OD1-N 2.75Å; D512-T550 PolarHBondContact OD1-OG1 2.86Å; D512-T550 PolarHBondContact OD2-OG1 3.32Å
513	I	98.4	Very high	97	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.12	C	C	.	.			trans	-69.9	119.5	174.5	-58.9	-67	0	0	0	110	L500 H510 L528 D569 L573 M576	L500-I513 HydrophobicContact CD2-CD1 3.96Å; L500-I513 HydrophobicContact CD2-CG1 4.29Å; H510-I513 HydrophobicContact CB-CD1 3.95Å; H510-I513 HydrophobicContact CB-CG1 4.11Å; H510-I513 WeakPolarHBondContact ND1-CD1 3.36Å; I513-L528 HydrophobicContact CD1-CD1 3.49Å; I513-L528 VanDerWaalsContact CD1-CD1 3.49Å; I513-L528 HydrophobicContact CD1-CD2 4.04Å; I513-L528 HydrophobicContact CD1-CG 4.44Å; I513-D569 HydrophobicContact CG1-CB 4.15Å; I513-L573 HydrophobicContact CG2-CB 4.21Å; I513-M576 HydrophobicContact CG2-SD 4.4Å
514	K	96.7	Very high	96.9	Very high	6 Å²	6	21.5 Å²	21.5	3%	0.026	12%	0.119	C	C	.	.	S	Bend	trans	-165.4	165.9	-177.7	62.7	-164.2	173.5	-173.2	0	108.8	N98 D512 D516 S517 T550 W553	N98-K514 WeakPolarHBondContact ND2-CE 3.37Å; N98-K514 PolarHBondContact ND2-NZ 3.17Å; D512-K514 PolarHBondContact O-N 2.93Å; D512-K514 IonicContact OD1-NZ 2.69Å; D512-K514 WeakPolarHBondContact OD2-CE 3.46Å; D512-K514 IonicContact OD2-NZ 3.51Å; D512-K514 PolarHBondContact OD2-NZ 2.87Å; K514-D516 HydrophobicContact CD-CB 4.35Å; K514-D516 HydrophobicContact CG-CB 4.14Å; K514-D516 PolarHBondContact O-N 2.63Å; K514-S517 WeakPolarHBondContact CE-OG 3.1Å; K514-S517 PolarHBondContact O-N 3.29Å; K514-S517 VanDerWaalsContact O-N 3.12Å; K514-T550 HydrophobicContact CD-CG2 4.49Å; K514-T550 PolarHBondContact NZ-OG1 2.98Å; K514-W553 HydrophobicContact CB-CD2 3.83Å; K514-W553 HydrophobicContact CB-CG 3.98Å; K514-W553 HydrophobicContact CB-CZ2 4.03Å
515	S	96	Very high	96.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-60.6	-27.9	-178.4	71.5	0	0	0	0	114.6	L475 T476 S517 I518 E579	L475-S515 WeakPolarHBondContact CB-O 3.43Å; L475-S515 PolarHBondContact N-O 2.65Å; T476-S515 WeakPolarHBondContact CA-OG 3.31Å; T476-S515 WeakPolarHBondContact CB-OG 3.25Å; T476-S515 VanDerWaalsContact OG1-C 3.28Å; T476-S515 PolarHBondContact OG1-OG 3.28Å; T476-S515 VanDerWaalsContact OG1-OG 3.06Å; S515-S517 VanDerWaalsContact C-N 3.26Å; S515-S517 PolarHBondContact O-N 3.13Å; S515-I518 PolarHBondContact O-N 3.44Å; S515-E579 VanDerWaalsContact CB-OE1 3.31Å; S515-E579 WeakPolarHBondContact CB-OE1 3.44Å; S515-E579 PolarHBondContact N-OE2 3.45Å; S515-E579 VanDerWaalsContact OG-CD 3.25Å; S515-E579 PolarHBondContact OG-OE1 3.28Å
516	D	93.1	Very high	96.9	Very high	22 Å²	22	21.1 Å²	21.1	12%	0.118	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-65.1	-31.1	177.7	-54.8	-79.1	0	0	0	113.2	N98 T476 K514 I518	N98-D516 PolarHBondContact ND2-OD2 3.01Å; T476-D516 WeakPolarHBondContact OG1-CA 3.38Å; T476-D516 PolarHBondContact OG1-N 3.34Å; T476-D516 PolarHBondContact OG1-OD1 3.09Å; K514-D516 HydrophobicContact CD-CB 4.35Å; K514-D516 HydrophobicContact CG-CB 4.14Å; K514-D516 PolarHBondContact O-N 2.63Å; D516-I518 VanDerWaalsContact C-N 3.31Å
517	S	96.2	Very high	97	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.007	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-92.8	8.7	-177.4	-62	0	0	0	0	112.7	K514 S515 S529	K514-S517 WeakPolarHBondContact CE-OG 3.1Å; K514-S517 PolarHBondContact O-N 3.29Å; K514-S517 VanDerWaalsContact O-N 3.12Å; S515-S517 VanDerWaalsContact C-N 3.26Å; S515-S517 PolarHBondContact O-N 3.13Å; S517-S529 WeakPolarHBondContact CA-OG 3.43Å; S517-S529 PolarHBondContact O-N 2.89Å; S517-S529 PolarHBondContact O-OG 3.22Å
518	I	98.1	Very high	97.1	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	112	171.9	-55.7	-48.1	0	0	0	108.4	A474 L475 V492 V496 S515 D516 V526 L528 M576	A474-I518 CarbonylContact C-O 3.59Å; A474-I518 WeakPolarHBondContact CA-O 3.37Å; L475-I518 HydrophobicContact CB-CB 3.99Å; L475-I518 HydrophobicContact CB-CG2 4.19Å; L475-I518 HydrophobicContact CD2-CB 4.17Å; L475-I518 HydrophobicContact CD2-CG2 4.11Å; L475-I518 PolarHBondContact N-O 3.31Å; V492-I518 HydrophobicContact CG1-CG2 4.5Å; V496-I518 HydrophobicContact CG1-CD1 4.33Å; V496-I518 HydrophobicContact CG2-CD1 3.48Å; V496-I518 VanDerWaalsContact CG2-CD1 3.48Å; V496-I518 HydrophobicContact CG2-CG1 4.17Å; V496-I518 HydrophobicContact CG2-CG2 4.48Å; S515-I518 PolarHBondContact O-N 3.44Å; D516-I518 VanDerWaalsContact C-N 3.31Å; I518-V526 HydrophobicContact CG2-CG1 3.39Å; I518-L528 HydrophobicContact CD1-CD1 3.89Å; I518-M576 HydrophobicContact CD1-SD 4.3Å; I518-M576 HydrophobicContact CG1-CE 4.04Å; I518-M576 HydrophobicContact CG1-SD 3.52Å; I518-M576 VanDerWaalsContact CG1-SD 3.52Å
519	L	97.4	Very high	96.9	Very high	36 Å²	36	17.2 Å²	17.2	19%	0.188	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	150.5	-178.2	-58.4	-173.7	0	0	0	111.6	V451 L470 G473 A474 K527	V451-L519 HydrophobicContact CG2-CD1 4.18Å; L470-L519 HydrophobicContact CB-CB 4.11Å; L470-L519 HydrophobicContact CD1-CB 3.41Å; L470-L519 VanDerWaalsContact CD1-CB 3.41Å; L470-L519 HydrophobicContact CD1-CD1 4.06Å; L470-L519 HydrophobicContact CD1-CG 4.38Å; L470-L519 HydrophobicContact CG-CB 4.39Å; G473-L519 WeakPolarHBondContact O-CA 3.27Å; A474-L519 HydrophobicContact CB-CD2 3.74Å; L519-K527 PolarHBondContact N-O 2.82Å; L519-K527 PolarHBondContact O-N 3.38Å
520	L	97.6	Very high	96.6	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.1	-173.3	-61.7	173.1	0	0	0	112.5	L470 G472 G473 I478 R525 V526 L653 I657	L470-L520 CarbonylContact C-O 3.5Å; G472-L520 WeakPolarHBondContact CA-O 3.35Å; G472-L520 PolarHBondContact N-O 3.11Å; G473-L520 PolarHBondContact O-N 3.05Å; I478-L520 HydrophobicContact CD1-CD1 3.5Å; I478-L520 VanDerWaalsContact CD1-CD1 3.5Å; L520-R525 WeakPolarHBondContact CA-O 3.17Å; L520-V526 HydrophobicContact CD2-CB 4.28Å; L520-V526 HydrophobicContact CD2-CG1 4.38Å; L520-V526 HydrophobicContact CD2-CG2 3.76Å; L520-L653 HydrophobicContact CD2-CD1 4.47Å; L520-I657 HydrophobicContact CB-CD1 3.96Å; L520-I657 HydrophobicContact CD1-CD1 4.12Å; L520-I657 HydrophobicContact CD1-CG1 4.04Å
521	T	96.6	Very high	96.3	Very high	5 Å²	5	19.7 Å²	19.7	3%	0.031	10%	0.096	C	C	.	.			trans	-81.8	165.6	165.4	70.2	0	0	0	0	111.2	L470 D523 G524 R525 I657	L470-T521 HydrophobicContact CD2-CG2 3.54Å; T521-D523 WeakPolarHBondContact CB-OD1 3.34Å; T521-D523 PolarHBondContact O-N 2.82Å; T521-D523 VanDerWaalsContact OG1-CG 3.28Å; T521-D523 PolarHBondContact OG1-OD1 3.18Å; T521-G524 PolarHBondContact O-N 3.36Å; T521-G524 PolarHBondContact OG1-N 3.18Å; T521-R525 HydrophobicContact CG2-CB 4.03Å; T521-R525 PolarHBondContact N-O 2.99Å; T521-R525 WeakPolarHBondContact OG1-CB 3.22Å; T521-R525 PolarHBondContact OG1-N 3.43Å; T521-I657 WeakPolarHBondContact O-CD1 3.2Å
522	L	95.1	Very high	95.9	Very high	80 Å²	80	19.4 Å²	19.4	42%	0.419	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-25.7	175.2	-75.2	171.2	0	0	0	114.2	Q471 G524 V654 I657	Q471-L522 HydrophobicContact CB-CD1 4.03Å; Q471-L522 HydrophobicContact CB-CD2 4.49Å; Q471-L522 HydrophobicContact CB-CG 3.99Å; Q471-L522 HydrophobicContact CG-CD1 4.48Å; L522-G524 VanDerWaalsContact C-N 3.27Å; L522-V654 WeakPolarHBondContact O-CG2 3.39Å; L522-I657 HydrophobicContact CD2-CG2 4.34Å
523	D	96.3	Very high	95.7	Very high	71 Å²	71	21.2 Å²	21.2	38%	0.38	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	10.2	171.1	57.7	-46.8	0	0	0	113.2	T521 R525 P650 V654	T521-D523 WeakPolarHBondContact CB-OD1 3.34Å; T521-D523 PolarHBondContact O-N 2.82Å; T521-D523 VanDerWaalsContact OG1-CG 3.28Å; T521-D523 PolarHBondContact OG1-OD1 3.18Å; D523-R525 VanDerWaalsContact CG-NH2 3.34Å; D523-R525 PolarHBondContact O-N 3.28Å; D523-R525 IonicContact OD1-CZ 3.81Å; D523-R525 IonicContact OD1-NE 2.75Å; D523-R525 IonicContact OD1-NH2 2.7Å; D523-R525 PolarHBondContact OD1-NH2 3.01Å; D523-R525 IonicContact OD2-CZ 2.83Å; D523-R525 IonicContact OD2-NE 2.74Å; D523-R525 PolarHBondContact OD2-NE 2.84Å; D523-R525 IonicContact OD2-NH2 2.9Å; D523-R525 PolarHBondContact OD2-NH2 2.7Å; D523-P650 WeakPolarHBondContact O-CB 3.4Å; D523-V654 VanDerWaalsContact C-CG2 3.44Å
524	G	97	Very high	95.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.			trans	80.2	8.4	169.1	0	0	0	0	0	115.8	T521 L522 L653	T521-G524 PolarHBondContact O-N 3.36Å; T521-G524 PolarHBondContact OG1-N 3.18Å; L522-G524 VanDerWaalsContact C-N 3.27Å; G524-L653 WeakPolarHBondContact O-CD1 3.31Å
525	R	98.3	Very high	95.3	Very high	98 Å²	98	21.2 Å²	21.2	37%	0.37	11%	0.105	S	C	.	.			trans	-68.6	143	171.4	-73.6	176.9	-74.7	128.1	8.4	110.4	L520 T521 D523 P650	L520-R525 WeakPolarHBondContact CA-O 3.17Å; T521-R525 HydrophobicContact CG2-CB 4.03Å; T521-R525 PolarHBondContact N-O 2.99Å; T521-R525 WeakPolarHBondContact OG1-CB 3.22Å; T521-R525 PolarHBondContact OG1-N 3.43Å; D523-R525 VanDerWaalsContact CG-NH2 3.34Å; D523-R525 PolarHBondContact O-N 3.28Å; D523-R525 IonicContact OD1-CZ 3.81Å; D523-R525 IonicContact OD1-NE 2.75Å; D523-R525 IonicContact OD1-NH2 2.7Å; D523-R525 PolarHBondContact OD1-NH2 3.01Å; D523-R525 IonicContact OD2-CZ 2.83Å; D523-R525 IonicContact OD2-NE 2.74Å; D523-R525 PolarHBondContact OD2-NE 2.84Å; D523-R525 IonicContact OD2-NH2 2.9Å; D523-R525 PolarHBondContact OD2-NH2 2.7Å; R525-P650 HydrophobicContact CG-CB 4.13Å; R525-P650 HydrophobicContact CG-CG 4.08Å
526	V	98.6	Very high	95.2	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.7	-173.2	-174.6	0	0	0	0	109.9	N449 V492 V496 I518 L520 L653	N449-V526 PolarHBondContact ND2-O 2.9Å; V492-V526 HydrophobicContact CG1-CG1 4.49Å; V492-V526 HydrophobicContact CG2-CG2 4.23Å; V496-V526 HydrophobicContact CG2-CG1 4.35Å; I518-V526 HydrophobicContact CG2-CG1 3.39Å; L520-V526 HydrophobicContact CD2-CB 4.28Å; L520-V526 HydrophobicContact CD2-CG1 4.38Å; L520-V526 HydrophobicContact CD2-CG2 3.76Å; V526-L653 HydrophobicContact CG2-CD1 3.51Å
527	K	98.6	Very high	95.3	Very high	17 Å²	17	26.8 Å²	26.8	7%	0.074	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141.6	179.8	-73.1	-174.2	161.2	-169.2	0	112.8	V448 N449 V450 V451 E468 L470 L519	V448-K527 WeakPolarHBondContact O-CE 3.47Å; N449-K527 CarbonylContact O-C 3.5Å; N449-K527 WeakPolarHBondContact O-CA 3.24Å; V450-K527 WeakPolarHBondContact O-CD 3.34Å; V450-K527 WeakPolarHBondContact O-CE 3.48Å; V451-K527 HydrophobicContact CG2-CB 4.12Å; E468-K527 VanDerWaalsContact OE1-CD 3.31Å; E468-K527 WeakPolarHBondContact OE1-CD 3.21Å; E468-K527 WeakPolarHBondContact OE1-CE 3.44Å; E468-K527 IonicContact OE1-NZ 3.76Å; E468-K527 PolarHBondContact OE1-NZ 3.36Å; E468-K527 IonicContact OE2-NZ 2.64Å; E468-K527 PolarHBondContact OE2-NZ 3.07Å; L470-K527 HydrophobicContact CD1-CB 3.88Å; L470-K527 HydrophobicContact CD1-CD 4.07Å; L470-K527 HydrophobicContact CD1-CG 4.48Å; L470-K527 HydrophobicContact CD2-CD 4.24Å; L519-K527 PolarHBondContact N-O 2.82Å; L519-K527 PolarHBondContact O-N 3.38Å
528	L	98.3	Very high	95.2	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	133.9	176.7	177	61.7	0	0	0	111.7	N449 V451 A499 L503 I513 I518 F531	N449-L528 PolarHBondContact O-N 3.36Å; V451-L528 WeakPolarHBondContact CG2-O 3.44Å; V451-L528 PolarHBondContact N-O 2.7Å; A499-L528 HydrophobicContact CB-CB 4.41Å; A499-L528 HydrophobicContact CB-CD2 4.26Å; L503-L528 HydrophobicContact CD1-CD2 3.89Å; I513-L528 HydrophobicContact CD1-CD1 3.49Å; I513-L528 VanDerWaalsContact CD1-CD1 3.49Å; I513-L528 HydrophobicContact CD1-CD2 4.04Å; I513-L528 HydrophobicContact CD1-CG 4.44Å; I518-L528 HydrophobicContact CD1-CD1 3.89Å; L528-F531 HydrophobicContact CB-CZ 4.4Å; L528-F531 HydrophobicContact CD2-CE1 4.24Å; L528-F531 HydrophobicContact CD2-CZ 4.23Å; L528-F531 HydrophobicContact CG-CE1 4.35Å; L528-F531 HydrophobicContact CG-CZ 3.93Å; L528-F531 WeakPolarHBondContact O-CE2 3.16Å; L528-F531 WeakPolarHBondContact O-CZ 3.45Å
529	S	94.9	Very high	94.9	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.028	19%	0.191	C	C	.	.			trans	-124.9	177.1	179.2	70.1	0	0	0	0	113.5	H510 S517	H510-S529 PolarHBondContact CE1-O 2.66Å; H510-S529 VanDerWaalsContact CE1-O 3.28Å; H510-S529 PolarHBondContact NE2-O 3.25Å; H510-S529 VanDerWaalsContact NE2-O 3.13Å; S517-S529 WeakPolarHBondContact CA-OG 3.43Å; S517-S529 PolarHBondContact O-N 2.89Å; S517-S529 PolarHBondContact O-OG 3.22Å
530	D	90.5	Very high	94.7	Very high	53 Å²	53	44.3 Å²	44.3	28%	0.283	22%	0.219	S	C	.	.			trans	69.9	48	170.1	-58.5	-68.3	0	0	0	116.9	K422 G532	K422-D530 IonicContact NZ-OD1 3.7Å; K422-D530 PolarHBondContact NZ-OD1 3.31Å; D530-G532 PolarHBondContact O-N 3.1Å
531	F	91.8	Very high	94.5	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-63.1	-7.1	178.6	-61.8	-84.6	0	0	0	115.3	N437 I441 M442 V450 L503 H510 L528 F533 C534	N437-F531 VanDerWaalsContact CB-O 3.31Å; N437-F531 WeakPolarHBondContact CB-O 3.19Å; I441-F531 HydrophobicContact CB-CB 4.21Å; I441-F531 HydrophobicContact CG2-CB 4.13Å; I441-F531 HydrophobicContact CG2-CD1 3.59Å; I441-F531 HydrophobicContact CG2-CE1 4.39Å; I441-F531 HydrophobicContact CG2-CG 4.06Å; M442-F531 HydrophobicContact CE-CD2 4.21Å; M442-F531 HydrophobicContact CE-CE2 4.41Å; M442-F531 HydrophobicContact CG-CB 4.14Å; M442-F531 HydrophobicContact CG-CD2 3.48Å; M442-F531 VanDerWaalsContact CG-CD2 3.48Å; M442-F531 HydrophobicContact CG-CE2 4.23Å; M442-F531 HydrophobicContact CG-CG 3.96Å; M442-F531 HydrophobicContact SD-CD2 3.82Å; V450-F531 HydrophobicContact CB-CZ 4.4Å; V450-F531 HydrophobicContact CG1-CE1 4.5Å; V450-F531 HydrophobicContact CG1-CE2 3.94Å; V450-F531 HydrophobicContact CG1-CZ 3.62Å; V450-F531 HydrophobicContact CG2-CZ 4.12Å; L503-F531 HydrophobicContact CD1-CE1 3.95Å; H510-F531 AromaticContact CD2-CD1 3.78Å; H510-F531 AromaticContact CD2-CE1 3.82Å; H510-F531 AromaticContact NE2-CD1 3.96Å; L528-F531 HydrophobicContact CB-CZ 4.4Å; L528-F531 HydrophobicContact CD2-CE1 4.24Å; L528-F531 HydrophobicContact CD2-CZ 4.23Å; L528-F531 HydrophobicContact CG-CE1 4.35Å; L528-F531 HydrophobicContact CG-CZ 3.93Å; L528-F531 WeakPolarHBondContact O-CE2 3.16Å; L528-F531 WeakPolarHBondContact O-CZ 3.45Å; F531-F533 PolarHBondContact O-N 3.44Å; F531-F533 VanDerWaalsContact O-N 3.13Å; F531-C534 WeakPolarHBondContact O-CB 3.46Å; F531-C534 PolarHBondContact O-N 3.35Å; F531-C534 PolarHBondContact O-SG 3.23Å
532	G	88.2	Confident	94.3	Very high	3 Å²	3	50.8 Å²	50.8	3%	0.031	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-51.7	-35.5	177.3	0	0	0	0	0	114.7	L434 N437 E438 D530 C534	L434-G532 WeakPolarHBondContact CB-O 3.3Å; N437-G532 PolarHBondContact ND2-O 2.89Å; E438-G532 VanDerWaalsContact OE1-CA 3.24Å; E438-G532 WeakPolarHBondContact OE1-CA 3.42Å; E438-G532 PolarHBondContact OE1-N 3.26Å; E438-G532 PolarHBondContact OE2-N 3.5Å; D530-G532 PolarHBondContact O-N 3.1Å; G532-C534 VanDerWaalsContact C-N 3.31Å; G532-C534 PolarHBondContact O-N 3.46Å
533	F	91.4	Very high	94.4	Very high	44 Å²	44	50.7 Å²	50.7	19%	0.193	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-85.4	5.1	177.4	-76.3	-0.9	0	0	0	114.9	L434 H510 R511 D512 F531 V548	L434-F533 HydrophobicContact CD1-CD1 4.1Å; L434-F533 HydrophobicContact CD1-CE1 4.38Å; H510-F533 CarbonylContact O-C 3.58Å; R511-F533 PolarHBondContact NE-O 2.94Å; R511-F533 PolarHBondContact NH2-O 3.04Å; D512-F533 HydrophobicContact CB-CB 4.08Å; D512-F533 HydrophobicContact CB-CD2 3.89Å; D512-F533 HydrophobicContact CB-CG 4.48Å; D512-F533 WeakPolarHBondContact OD2-CD2 3.37Å; F531-F533 PolarHBondContact O-N 3.44Å; F531-F533 VanDerWaalsContact O-N 3.13Å; F533-V548 HydrophobicContact CB-CG1 3.83Å; F533-V548 HydrophobicContact CD1-CG1 4.11Å; F533-V548 HydrophobicContact CD2-CG1 3.96Å; F533-V548 HydrophobicContact CG-CG1 3.7Å
534	C	94.5	Very high	94.3	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.007	25%	0.253	C	S	.	.			trans	-60.2	167	179.4	-74.7	0	0	0	0	114.6	N437 I441 V508 I509 H510 R511 F531 G532	N437-C534 HydrophobicContact CB-CB 4.38Å; N437-C534 PolarHBondContact ND2-O 2.83Å; I441-C534 HydrophobicContact CG1-CB 4.12Å; V508-C534 HydrophobicContact CG1-CB 4.38Å; I509-C534 CarbonylContact O-C 3.58Å; I509-C534 WeakPolarHBondContact O-CA 3.39Å; H510-C534 PolarHBondContact O-N 2.58Å; R511-C534 PolarHBondContact NH2-O 2.84Å; F531-C534 WeakPolarHBondContact O-CB 3.46Å; F531-C534 PolarHBondContact O-N 3.35Å; F531-C534 PolarHBondContact O-SG 3.23Å; G532-C534 VanDerWaalsContact C-N 3.31Å; G532-C534 PolarHBondContact O-N 3.46Å
535	A	93.9	Very high	94.2	Very high	5 Å²	5	57.8 Å²	57.8	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	135.7	159.9	0	0	0	0	0	110.4	I509 R544	I509-A535 PolarHBondContact N-O 3.34Å; I509-A535 PolarHBondContact O-N 3.48Å; A535-R544 HydrophobicContact CB-CG 3.97Å
536	Q	93.9	Very high	93.8	Very high	106 Å²	106	54.3 Å²	54.3	50%	0.495	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	142.5	163.9	-158.5	175.1	17	0	0	110	Y445 G507	Y445-Q536 PolarHBondContact OH-NE2 3.27Å; G507-Q536 CarbonylContact O-C 3.52Å; G507-Q536 WeakPolarHBondContact O-CA 3.19Å
537	I	94.5	Very high	93.6	Very high	32 Å²	32	55.4 Å²	55.4	16%	0.164	28%	0.278	C	S	.	.			trans	-113	150.9	168.2	49.2	163.5	0	0	0	110	G507 I509 V541 P542 R544 A565	G507-I537 WeakPolarHBondContact O-CG1 3.25Å; G507-I537 PolarHBondContact O-N 3.41Å; I509-I537 HydrophobicContact CD1-CD1 4.5Å; I509-I537 HydrophobicContact CD1-CG1 4.43Å; I509-I537 HydrophobicContact CD1-CG2 3.77Å; I537-V541 WeakPolarHBondContact CA-O 3.35Å; I537-V541 WeakPolarHBondContact CB-O 3.18Å; I537-V541 WeakPolarHBondContact CG2-O 3.39Å; I537-P542 VanDerWaalsContact CD1-O 3.31Å; I537-P542 WeakPolarHBondContact CD1-O 3.39Å; I537-R544 HydrophobicContact CG2-CG 3.89Å; I537-A565 HydrophobicContact CD1-CB 3.82Å
538	S	93.4	Very high	93.2	Very high	56 Å²	56	55.3 Å²	55.3	39%	0.392	28%	0.279	S	S	.	.			trans	-129.2	179.2	179.8	80.5	0	0	0	0	111.1	D540 V541 P542	S538-D540 PolarHBondContact O-N 3.43Å; S538-D540 PolarHBondContact OG-N 2.98Å; S538-D540 VanDerWaalsContact OG-N 3.15Å; S538-D540 PolarHBondContact OG-OD2 3Å; S538-D540 VanDerWaalsContact OG-OD2 3.1Å; S538-V541 PolarHBondContact N-O 3.03Å; S538-V541 CarbonylContact O-C 3.58Å; S538-V541 PolarHBondContact O-N 3.26Å; S538-V541 PolarHBondContact OG-N 3.19Å; S538-V541 VanDerWaalsContact OG-N 3.09Å; S538-P542 WeakPolarHBondContact O-CA 3.43Å; S538-P542 WeakPolarHBondContact O-CB 3.41Å
539	K	91.9	Very high	92.8	Very high	204 Å²	204	56 Å²	56	89%	0.887	29%	0.286	S	S	*	.	S	Bend	trans	-61.9	-31.9	172.4	-66.6	179.6	-180	176.3	0	112.1
540	D	93	Very high	92.6	Very high	146 Å²	146	56.9 Å²	56.9	78%	0.781	29%	0.292	S	S	*	.	S	Bend	trans	-83.3	-32.6	179.9	-34.3	-85.7	0	0	0	112.2	S538 P542	S538-D540 PolarHBondContact O-N 3.43Å; S538-D540 PolarHBondContact OG-N 2.98Å; S538-D540 VanDerWaalsContact OG-N 3.15Å; S538-D540 PolarHBondContact OG-OD2 3Å; S538-D540 VanDerWaalsContact OG-OD2 3.1Å; D540-P542 VanDerWaalsContact C-CD 3.47Å
541	V	93.1	Very high	92.8	Very high	67 Å²	67	55.6 Å²	55.6	41%	0.406	29%	0.286	S	S	.	.	S	Bend	trans	-126.7	71.9	176.5	-169.6	0	0	0	0	109.8	I537 S538 K543	I537-V541 WeakPolarHBondContact CA-O 3.35Å; I537-V541 WeakPolarHBondContact CB-O 3.18Å; I537-V541 WeakPolarHBondContact CG2-O 3.39Å; S538-V541 PolarHBondContact N-O 3.03Å; S538-V541 CarbonylContact O-C 3.58Å; S538-V541 PolarHBondContact O-N 3.26Å; S538-V541 PolarHBondContact OG-N 3.19Å; S538-V541 VanDerWaalsContact OG-N 3.09Å; V541-K543 VanDerWaalsContact C-N 3.34Å; V541-K543 PolarHBondContact O-N 3.12Å
542	P	93.8	Very high	93	Very high	76 Å²	76	56.8 Å²	56.8	49%	0.494	29%	0.291	S	S	.	.			trans	-78.1	-13.9	-170.6	29.8	-36.8	0	0	0	114.5	I537 S538 D540	I537-P542 VanDerWaalsContact CD1-O 3.31Å; I537-P542 WeakPolarHBondContact CD1-O 3.39Å; S538-P542 WeakPolarHBondContact O-CA 3.43Å; S538-P542 WeakPolarHBondContact O-CB 3.41Å; D540-P542 VanDerWaalsContact C-CD 3.47Å
543	K	96.2	Very high	93.5	Very high	77 Å²	77	57.4 Å²	57.4	34%	0.335	29%	0.292	S	S	.	.			trans	-139.3	150.4	178.6	-66.1	-144.4	168	-153	0	111.9	V541 P563 Y564 A565 E567	V541-K543 VanDerWaalsContact C-N 3.34Å; V541-K543 PolarHBondContact O-N 3.12Å; K543-P563 HydrophobicContact CB-CB 3.89Å; K543-P563 HydrophobicContact CD-CB 4.26Å; K543-P563 WeakPolarHBondContact CD-O 3.5Å; K543-Y564 CarbonylContact C-O 3.15Å; K543-Y564 VanDerWaalsContact CA-O 3.26Å; K543-Y564 WeakPolarHBondContact CA-O 3.46Å; K543-Y564 WeakPolarHBondContact CB-O 3.2Å; K543-A565 HydrophobicContact CD-CB 4.39Å; K543-A565 HydrophobicContact CG-CB 4.18Å; K543-E567 IonicContact NZ-OE1 2.92Å; K543-E567 PolarHBondContact NZ-OE1 3.27Å; K543-E567 IonicContact NZ-OE2 3.66Å
544	R	94.7	Very high	93.8	Very high	81 Å²	81	55.7 Å²	55.7	31%	0.306	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-103.2	156.6	176.2	-52.1	-61.8	-72.7	164.8	-8.5	110.3	I509 A535 I537 P563 Y564	I509-R544 HydrophobicContact CD1-CG 3.97Å; A535-R544 HydrophobicContact CB-CG 3.97Å; I537-R544 HydrophobicContact CG2-CG 3.89Å; R544-P563 VanDerWaalsContact O-CA 3.31Å; R544-P563 WeakPolarHBondContact O-CA 3.04Å; R544-Y564 HydrophobicContact CB-CD2 4.33Å; R544-Y564 HydrophobicContact CB-CE1 4.35Å; R544-Y564 HydrophobicContact CB-CE2 3.74Å; R544-Y564 HydrophobicContact CG-CE2 4.45Å; R544-Y564 PolarHBondContact N-O 2.84Å; R544-Y564 WeakPolarHBondContact O-CD1 3.27Å; R544-Y564 PolarHBondContact O-N 3.44Å
545	K	94.2	Very high	94	Very high	139 Å²	139	55.7 Å²	55.7	60%	0.604	29%	0.285	S	S	*	.			trans	-129.6	5.1	178.2	-65.7	-177.2	-178.7	179.6	0	114	P563	K545-P563 HydrophobicContact CD-CB 4.46Å; K545-P563 HydrophobicContact CG-CB 3.94Å
546	S	91.3	Very high	94.2	Very high	26 Å²	26	55.7 Å²	55.7	18%	0.182	28%	0.284	C	S	.	.			trans	-80.7	131.5	-177.1	57.8	0	0	0	0	111.2	R511 V548 Y564	R511-S546 PolarHBondContact NH1-OG 3.42Å; S546-V548 PolarHBondContact O-N 3.35Å; S546-Y564 WeakPolarHBondContact O-CE1 3.47Å; S546-Y564 PolarHBondContact O-OH 3.46Å; S546-Y564 PolarHBondContact OG-OH 2.74Å
547	L	93.1	Very high	94.4	Very high	25 Å²	25	51 Å²	51	13%	0.131	26%	0.262	C	S	.	.			trans	-70	106.9	166.5	-172.8	77.4	0	0	0	108.2	M554 V558 R561	L547-M554 HydrophobicContact CD1-CE 3.47Å; L547-M554 VanDerWaalsContact CD1-CE 3.47Å; L547-M554 HydrophobicContact CD1-SD 4.44Å; L547-M554 HydrophobicContact CG-CE 4Å; L547-V558 HydrophobicContact CD1-CG1 4.44Å; L547-R561 VanDerWaalsContact CB-CZ 3.47Å
548	V	90.2	Very high	94.5	Very high	15 Å²	15	49.7 Å²	49.7	9%	0.091	26%	0.256	C	S	.	.			trans	-149.6	143.3	-178.8	-179.3	0	0	0	0	107.3	F533 S546 M554	F533-V548 HydrophobicContact CB-CG1 3.83Å; F533-V548 HydrophobicContact CD1-CG1 4.11Å; F533-V548 HydrophobicContact CD2-CG1 3.96Å; F533-V548 HydrophobicContact CG-CG1 3.7Å; S546-V548 PolarHBondContact O-N 3.35Å; V548-M554 WeakPolarHBondContact O-CE 3.42Å
549	G	89.9	Confident	94.7	Very high	15 Å²	15	47.4 Å²	47.4	16%	0.155	24%	0.239	C	C	.	.	S	Bend	trans	120.9	166.7	-176.5	0	0	0	0	0	112.2	R511	R511-G549 WeakPolarHBondContact O-CA 3.48Å
550	T	91.3	Very high	94.9	Very high	23 Å²	23	39.5 Å²	39.5	14%	0.141	21%	0.212	C	C	.	.			trans	-81.8	120.6	-177.9	-56	0	0	0	0	111.2	D512 K514 Y552 W553 M554	D512-T550 VanDerWaalsContact OD1-CB 3.27Å; D512-T550 WeakPolarHBondContact OD1-CB 3.41Å; D512-T550 PolarHBondContact OD1-N 2.75Å; D512-T550 PolarHBondContact OD1-OG1 2.86Å; D512-T550 PolarHBondContact OD2-OG1 3.32Å; K514-T550 HydrophobicContact CD-CG2 4.49Å; K514-T550 PolarHBondContact NZ-OG1 2.98Å; T550-Y552 VanDerWaalsContact C-N 3.34Å; T550-Y552 PolarHBondContact O-N 3.33Å; T550-W553 HydrophobicContact CG2-CE3 3.53Å; T550-W553 HydrophobicContact CG2-CZ3 3.42Å; T550-W553 VanDerWaalsContact CG2-CZ3 3.42Å; T550-W553 PolarHBondContact O-N 2.96Å; T550-M554 WeakPolarHBondContact O-CG 3.35Å
551	P	93.9	Very high	94.9	Very high	25 Å²	25	36.5 Å²	36.5	16%	0.162	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.1	-40.3	-166	-40.7	40.2	0	0	0	119.7	W553 P592 M596	P551-W553 VanDerWaalsContact C-N 3.35Å; P551-P592 HydrophobicContact CB-CB 3.78Å; P551-P592 HydrophobicContact CG-CB 3.92Å; P551-M596 HydrophobicContact CB-CE 3.81Å; P551-M596 HydrophobicContact CB-CG 4.02Å; P551-M596 HydrophobicContact CB-SD 4.04Å; P551-M596 HydrophobicContact CG-CE 3.87Å; P551-M596 HydrophobicContact CG-SD 4.37Å; P551-M596 VanDerWaalsContact O-CG 3.31Å; P551-M596 WeakPolarHBondContact O-CG 3.14Å
552	Y	96.4	Very high	95.1	Very high	27 Å²	27	37.5 Å²	37.5	11%	0.106	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-18.4	-175.5	-55.2	-90.9	0	0	0	113.5	T550 Y587 D590 P592 A595 L599	T550-Y552 VanDerWaalsContact C-N 3.34Å; T550-Y552 PolarHBondContact O-N 3.33Å; Y552-Y587 WeakPolarHBondContact CE1-O 3.08Å; Y552-D590 PolarHBondContact OH-O 3.16Å; Y552-P592 HydrophobicContact CE2-CB 4.48Å; Y552-P592 HydrophobicContact CE2-CG 4.2Å; Y552-P592 WeakPolarHBondContact OH-CD 3.48Å; Y552-A595 HydrophobicContact CD1-CB 3.44Å; Y552-A595 VanDerWaalsContact CD1-CB 3.44Å; Y552-A595 HydrophobicContact CE1-CB 3.4Å; Y552-A595 VanDerWaalsContact CE1-CB 3.4Å; Y552-A595 HydrophobicContact CG-CB 4.43Å; Y552-L599 WeakPolarHBondContact O-CD1 3.49Å
553	W	98.4	Very high	95.3	Very high	15 Å²	15	36.6 Å²	36.6	6%	0.057	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-10.8	178.9	-63.7	-106.3	0	0	0	112.9	K514 T550 P551 S572 I575 E579 P585	K514-W553 HydrophobicContact CB-CD2 3.83Å; K514-W553 HydrophobicContact CB-CG 3.98Å; K514-W553 HydrophobicContact CB-CZ2 4.03Å; T550-W553 HydrophobicContact CG2-CE3 3.53Å; T550-W553 HydrophobicContact CG2-CZ3 3.42Å; T550-W553 VanDerWaalsContact CG2-CZ3 3.42Å; T550-W553 PolarHBondContact O-N 2.96Å; P551-W553 VanDerWaalsContact C-N 3.35Å; W553-S572 PolarHBondContact O-OG 2.96Å; W553-I575 HydrophobicContact CB-CB 4.38Å; W553-I575 HydrophobicContact CB-CG2 4.29Å; W553-I575 VanDerWaalsContact CD1-CG2 3.5Å; W553-I575 HydrophobicContact CD2-CG2 4.45Å; W553-I575 HydrophobicContact CG-CB 4.26Å; W553-I575 HydrophobicContact CG-CG2 3.82Å; W553-E579 PolarHBondContact NE1-OE2 3.49Å; W553-P585 HydrophobicContact CH2-CG 3.82Å; W553-P585 HydrophobicContact CZ2-CB 4.15Å; W553-P585 HydrophobicContact CZ2-CG 3.78Å; W553-P585 HydrophobicContact CZ3-CG 4.37Å
554	M	97.8	Very high	95.3	Very high	9 Å²	9	33 Å²	33	4%	0.044	17%	0.17	C	C	.	.			trans	-65.6	134.8	-171.4	-61	-174.3	69	0	0	113.5	L547 V548 T550 V558 I559 W571 M596	L547-M554 HydrophobicContact CD1-CE 3.47Å; L547-M554 VanDerWaalsContact CD1-CE 3.47Å; L547-M554 HydrophobicContact CD1-SD 4.44Å; L547-M554 HydrophobicContact CG-CE 4Å; V548-M554 WeakPolarHBondContact O-CE 3.42Å; T550-M554 WeakPolarHBondContact O-CG 3.35Å; M554-V558 HydrophobicContact CE-CB 4.19Å; M554-V558 HydrophobicContact CE-CG1 3.43Å; M554-V558 VanDerWaalsContact CE-CG1 3.43Å; M554-I559 HydrophobicContact CB-CD1 4.03Å; M554-I559 HydrophobicContact CB-CG1 3.85Å; M554-W571 PolarHBondContact O-NE1 2.67Å; M554-M596 HydrophobicContact SD-SD 3.55Å
555	A	98.4	Very high	95.5	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.008	16%	0.159	C	C	.	.			trans	-67.6	144.7	175.4	0	0	0	0	0	112.4	E557 V558 I559 V568 W571	A555-E557 VanDerWaalsContact C-N 3.25Å; A555-E557 HydrophobicContact CB-CG 4.48Å; A555-E557 WeakPolarHBondContact CB-OE1 3.46Å; A555-E557 PolarHBondContact O-N 3.22Å; A555-V558 HydrophobicContact CB-CG2 4.13Å; A555-V558 WeakPolarHBondContact O-CB 3.5Å; A555-V558 PolarHBondContact O-N 3.38Å; A555-I559 PolarHBondContact O-N 2.72Å; A555-V568 HydrophobicContact CB-CB 4.02Å; A555-V568 HydrophobicContact CB-CG1 4.13Å; A555-W571 VanDerWaalsContact CA-CD1 3.4Å; A555-W571 HydrophobicContact CB-CB 3.77Å; A555-W571 HydrophobicContact CB-CD2 4.38Å; A555-W571 HydrophobicContact CB-CG 3.71Å
556	P	98.2	Very high	95.7	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.032	14%	0.141	C	C	.	.	H	α-helix	trans	-60.2	-32.9	-172	22.7	-33.1	0	0	0	113.2	I559 A560 W571	P556-I559 PolarHBondContact O-N 2.8Å; P556-A560 VanDerWaalsContact O-CB 3.25Å; P556-A560 WeakPolarHBondContact O-CB 3.47Å; P556-A560 PolarHBondContact O-N 3.39Å; P556-W571 HydrophobicContact CG-CE3 4.35Å; P556-W571 HydrophobicContact CG-CH2 4.07Å; P556-W571 HydrophobicContact CG-CZ2 4.34Å; P556-W571 HydrophobicContact CG-CZ3 4.07Å
557	E	98.3	Very high	96.1	Very high	7 Å²	7	24.4 Å²	24.4	3%	0.033	14%	0.137	C	C	.	.	H	α-helix	trans	-65.2	-35.4	175	63	-84.7	-163.1	0	0	113.1	A555 A560 R561 I562 V568 P629 R632	A555-E557 VanDerWaalsContact C-N 3.25Å; A555-E557 HydrophobicContact CB-CG 4.48Å; A555-E557 WeakPolarHBondContact CB-OE1 3.46Å; A555-E557 PolarHBondContact O-N 3.22Å; E557-A560 CarbonylContact O-C 3.58Å; E557-A560 PolarHBondContact O-N 2.89Å; E557-R561 PolarHBondContact O-N 2.89Å; E557-R561 VanDerWaalsContact O-N 3.12Å; E557-I562 HydrophobicContact CB-CB 4.04Å; E557-I562 HydrophobicContact CB-CG2 4.28Å; E557-I562 PolarHBondContact O-N 2.84Å; E557-V568 HydrophobicContact CG-CG1 4.23Å; E557-P629 HydrophobicContact CB-CG 4.24Å; E557-P629 HydrophobicContact CG-CG 4.04Å; E557-R632 IonicContact OE1-CZ 3.56Å; E557-R632 IonicContact OE1-NH1 2.88Å; E557-R632 PolarHBondContact OE1-NH1 2.93Å; E557-R632 IonicContact OE1-NH2 3.41Å; E557-R632 PolarHBondContact OE1-NH2 3.09Å; E557-R632 IonicContact OE2-CZ 3.45Å; E557-R632 IonicContact OE2-NH1 3.39Å; E557-R632 IonicContact OE2-NH2 2.7Å; E557-R632 PolarHBondContact OE2-NH2 3.22Å
558	V	97.8	Very high	96.3	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.03	13%	0.132	C	C	.	.	H	α-helix	trans	-67.9	-44.8	176.4	-172.6	0	0	0	0	109.9	L547 M554 A555 A560 R561 Y564 V568	L547-V558 HydrophobicContact CD1-CG1 4.44Å; M554-V558 HydrophobicContact CE-CB 4.19Å; M554-V558 HydrophobicContact CE-CG1 3.43Å; M554-V558 VanDerWaalsContact CE-CG1 3.43Å; A555-V558 HydrophobicContact CB-CG2 4.13Å; A555-V558 WeakPolarHBondContact O-CB 3.5Å; A555-V558 PolarHBondContact O-N 3.38Å; V558-A560 VanDerWaalsContact C-N 3.28Å; V558-A560 PolarHBondContact O-N 3.4Å; V558-R561 PolarHBondContact O-N 2.95Å; V558-R561 VanDerWaalsContact O-N 3.1Å; V558-Y564 HydrophobicContact CB-CD1 4.31Å; V558-Y564 HydrophobicContact CB-CE1 4.21Å; V558-Y564 HydrophobicContact CG1-CD1 4.41Å; V558-Y564 HydrophobicContact CG1-CE1 3.81Å; V558-Y564 HydrophobicContact CG2-CD1 3.77Å; V558-Y564 HydrophobicContact CG2-CD2 4.34Å; V558-Y564 HydrophobicContact CG2-CE1 3.89Å; V558-Y564 HydrophobicContact CG2-CE2 4.46Å; V558-Y564 HydrophobicContact CG2-CG 4.01Å; V558-V568 HydrophobicContact CG2-CB 4Å; V558-V568 HydrophobicContact CG2-CG1 3.48Å; V558-V568 VanDerWaalsContact CG2-CG1 3.48Å
559	I	96.8	Very high	96.8	Very high	7 Å²	7	22.7 Å²	22.7	4%	0.036	13%	0.128	C	C	.	.	H	α-helix	trans	-64.8	-34.8	176.9	-53.2	166.5	0	0	0	110.7	M554 A555 P556 R561 M596 L599 R600	M554-I559 HydrophobicContact CB-CD1 4.03Å; M554-I559 HydrophobicContact CB-CG1 3.85Å; A555-I559 PolarHBondContact O-N 2.72Å; P556-I559 PolarHBondContact O-N 2.8Å; I559-R561 VanDerWaalsContact C-N 3.28Å; I559-R561 PolarHBondContact O-N 3.49Å; I559-M596 HydrophobicContact CD1-CB 4.02Å; I559-M596 HydrophobicContact CD1-CG 3.82Å; I559-M596 HydrophobicContact CG1-CB 4.36Å; I559-M596 HydrophobicContact CG1-CG 4.05Å; I559-M596 HydrophobicContact CG1-SD 4.13Å; I559-M596 HydrophobicContact CG2-CB 3.88Å; I559-M596 HydrophobicContact CG2-CG 4.38Å; I559-M596 HydrophobicContact CG2-SD 4.44Å; I559-L599 HydrophobicContact CD1-CB 3.78Å; I559-L599 HydrophobicContact CD1-CD1 4.33Å; I559-R600 HydrophobicContact CB-CB 4.24Å; I559-R600 HydrophobicContact CB-CG 4.45Å; I559-R600 HydrophobicContact CG2-CB 3.94Å; I559-R600 HydrophobicContact CG2-CG 4.34Å
560	A	95.6	Very high	97.2	Very high	38 Å²	38	22 Å²	22	31%	0.314	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	0.2	174.8	0	0	0	0	0	114.6	P556 E557 V558 I562 R600	P556-A560 VanDerWaalsContact O-CB 3.25Å; P556-A560 WeakPolarHBondContact O-CB 3.47Å; P556-A560 PolarHBondContact O-N 3.39Å; E557-A560 CarbonylContact O-C 3.58Å; E557-A560 PolarHBondContact O-N 2.89Å; V558-A560 VanDerWaalsContact C-N 3.28Å; V558-A560 PolarHBondContact O-N 3.4Å; A560-I562 HydrophobicContact CB-CD1 3.77Å; A560-I562 HydrophobicContact CB-CG1 3.86Å; A560-I562 PolarHBondContact O-N 2.7Å; A560-I562 VanDerWaalsContact O-N 3.16Å; A560-R600 HydrophobicContact CB-CG 4.21Å
561	R	94.2	Very high	97.5	Very high	83 Å²	83	21 Å²	21	31%	0.313	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	20.4	-173.8	-53.9	-67.1	-165.4	131.8	-0.7	114.5	Y81 D88 L547 E557 V558 I559	Y81-R561 WeakPolarHBondContact OH-CG 3.4Å; Y81-R561 PolarHBondContact OH-NE 3.45Å; D88-R561 IonicContact OD2-NH2 3.89Å; L547-R561 VanDerWaalsContact CB-CZ 3.47Å; E557-R561 PolarHBondContact O-N 2.89Å; E557-R561 VanDerWaalsContact O-N 3.12Å; V558-R561 PolarHBondContact O-N 2.95Å; V558-R561 VanDerWaalsContact O-N 3.1Å; I559-R561 VanDerWaalsContact C-N 3.28Å; I559-R561 PolarHBondContact O-N 3.49Å
562	I	96.3	Very high	97.8	Very high	88 Å²	88	20 Å²	20	45%	0.451	11%	0.108	S	C	.	.			trans	-69.8	141.2	174.9	-66.3	171.6	0	0	0	108.1	E557 A560 Y564	E557-I562 HydrophobicContact CB-CB 4.04Å; E557-I562 HydrophobicContact CB-CG2 4.28Å; E557-I562 PolarHBondContact O-N 2.84Å; A560-I562 HydrophobicContact CB-CD1 3.77Å; A560-I562 HydrophobicContact CB-CG1 3.86Å; A560-I562 PolarHBondContact O-N 2.7Å; A560-I562 VanDerWaalsContact O-N 3.16Å; I562-Y564 WeakPolarHBondContact O-CD1 3.24Å; I562-Y564 PolarHBondContact O-N 3.17Å
563	P	97.6	Very high	97.9	Very high	57 Å²	57	18.8 Å²	18.8	37%	0.37	10%	0.103	S	C	.	.			trans	-61.2	121	175.9	21.8	-31	0	0	0	112	K543 R544 K545	K543-P563 HydrophobicContact CB-CB 3.89Å; K543-P563 HydrophobicContact CD-CB 4.26Å; K543-P563 WeakPolarHBondContact CD-O 3.5Å; R544-P563 VanDerWaalsContact O-CA 3.31Å; R544-P563 WeakPolarHBondContact O-CA 3.04Å; K545-P563 HydrophobicContact CD-CB 4.46Å; K545-P563 HydrophobicContact CG-CB 3.94Å
564	Y	98.1	Very high	97.9	Very high	1 Å²	1	18 Å²	18	0%	0.004	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-122.8	155.7	-175.3	65	-99.6	0	0	0	112.2	R511 K543 R544 S546 V558 I562 E567 V568	R511-Y564 HydrophobicContact CG-CE2 4.43Å; R511-Y564 PolarHBondContact NH1-OH 2.86Å; R511-Y564 VanDerWaalsContact NH1-OH 3.12Å; K543-Y564 CarbonylContact C-O 3.15Å; K543-Y564 VanDerWaalsContact CA-O 3.26Å; K543-Y564 WeakPolarHBondContact CA-O 3.46Å; K543-Y564 WeakPolarHBondContact CB-O 3.2Å; R544-Y564 HydrophobicContact CB-CD2 4.33Å; R544-Y564 HydrophobicContact CB-CE1 4.35Å; R544-Y564 HydrophobicContact CB-CE2 3.74Å; R544-Y564 HydrophobicContact CG-CE2 4.45Å; R544-Y564 PolarHBondContact N-O 2.84Å; R544-Y564 WeakPolarHBondContact O-CD1 3.27Å; R544-Y564 PolarHBondContact O-N 3.44Å; S546-Y564 WeakPolarHBondContact O-CE1 3.47Å; S546-Y564 PolarHBondContact O-OH 3.46Å; S546-Y564 PolarHBondContact OG-OH 2.74Å; V558-Y564 HydrophobicContact CB-CD1 4.31Å; V558-Y564 HydrophobicContact CB-CE1 4.21Å; V558-Y564 HydrophobicContact CG1-CD1 4.41Å; V558-Y564 HydrophobicContact CG1-CE1 3.81Å; V558-Y564 HydrophobicContact CG2-CD1 3.77Å; V558-Y564 HydrophobicContact CG2-CD2 4.34Å; V558-Y564 HydrophobicContact CG2-CE1 3.89Å; V558-Y564 HydrophobicContact CG2-CE2 4.46Å; V558-Y564 HydrophobicContact CG2-CG 4.01Å; I562-Y564 WeakPolarHBondContact O-CD1 3.24Å; I562-Y564 PolarHBondContact O-N 3.17Å; Y564-E567 WeakPolarHBondContact CA-OE1 3.47Å; Y564-V568 HydrophobicContact CD2-CB 4.46Å; Y564-V568 HydrophobicContact CD2-CG1 3.52Å; Y564-V568 HydrophobicContact CD2-CG2 4.09Å; Y564-V568 HydrophobicContact CE2-CG1 4.36Å; Y564-V568 HydrophobicContact CE2-CG2 4.32Å; Y564-V568 HydrophobicContact CG-CG1 3.69Å
565	A	98.3	Very high	98	Very high	10 Å²	10	17.6 Å²	17.6	8%	0.083	10%	0.098	C	C	.	.			trans	-120.8	-135	169.6	0	0	0	0	0	110.8	I537 K543 E567	I537-A565 HydrophobicContact CD1-CB 3.82Å; K543-A565 HydrophobicContact CD-CB 4.39Å; K543-A565 HydrophobicContact CG-CB 4.18Å; A565-E567 VanDerWaalsContact C-N 3.29Å; A565-E567 WeakPolarHBondContact CA-OE2 3.45Å; A565-E567 VanDerWaalsContact CB-OE2 3.22Å; A565-E567 WeakPolarHBondContact CB-OE2 3.41Å; A565-E567 PolarHBondContact N-OE1 3.44Å; A565-E567 PolarHBondContact N-OE2 2.71Å; A565-E567 VanDerWaalsContact N-OE2 3.08Å; A565-E567 PolarHBondContact O-N 2.9Å
566	T	98.4	Very high	97.9	Very high	34 Å²	34	17.6 Å²	17.6	21%	0.209	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-19.4	-172.8	46.5	0	0	0	0	114.2	H504 I509 V568 D569	H504-T566 HydrophobicContact CB-CG2 3.83Å; H504-T566 PolarHBondContact CE1-O 2.77Å; H504-T566 VanDerWaalsContact CE1-O 3.24Å; I509-T566 HydrophobicContact CG1-CG2 3.93Å; T566-V568 PolarHBondContact O-N 2.88Å; T566-D569 PolarHBondContact O-N 3.29Å
567	E	98.7	Very high	98	Very high	23 Å²	23	17.3 Å²	17.3	11%	0.107	10%	0.096	C	C	.	.	H	α-helix	trans	-52.7	-26	179.7	58.6	-96.6	-152.8	0	0	114.6	K543 Y564 A565 D569 I570 W571 P629 R632	K543-E567 IonicContact NZ-OE1 2.92Å; K543-E567 PolarHBondContact NZ-OE1 3.27Å; K543-E567 IonicContact NZ-OE2 3.66Å; Y564-E567 WeakPolarHBondContact CA-OE1 3.47Å; A565-E567 VanDerWaalsContact C-N 3.29Å; A565-E567 WeakPolarHBondContact CA-OE2 3.45Å; A565-E567 VanDerWaalsContact CB-OE2 3.22Å; A565-E567 WeakPolarHBondContact CB-OE2 3.41Å; A565-E567 PolarHBondContact N-OE1 3.44Å; A565-E567 PolarHBondContact N-OE2 2.71Å; A565-E567 VanDerWaalsContact N-OE2 3.08Å; A565-E567 PolarHBondContact O-N 2.9Å; E567-D569 VanDerWaalsContact C-N 3.35Å; E567-D569 PolarHBondContact O-N 3.04Å; E567-I570 PolarHBondContact O-N 2.91Å; E567-W571 PolarHBondContact O-N 2.88Å; E567-P629 HydrophobicContact CB-CB 4.5Å; E567-P629 HydrophobicContact CG-CB 3.87Å; E567-P629 HydrophobicContact CG-CG 4.49Å; E567-R632 VanDerWaalsContact C-NH1 3.33Å; E567-R632 WeakPolarHBondContact O-CD 3.3Å; E567-R632 PolarHBondContact O-NH1 3.02Å
568	V	98.8	Very high	97.9	Very high	3 Å²	3	17 Å²	17	2%	0.018	10%	0.095	C	C	.	.	H	α-helix	trans	-71.8	-29.6	-174	-54.6	0	0	0	0	112.8	I509 R511 A555 E557 V558 Y564 T566 I570 W571 S572	I509-V568 HydrophobicContact CG2-CG2 3.58Å; R511-V568 HydrophobicContact CG-CG2 4.21Å; A555-V568 HydrophobicContact CB-CB 4.02Å; A555-V568 HydrophobicContact CB-CG1 4.13Å; E557-V568 HydrophobicContact CG-CG1 4.23Å; V558-V568 HydrophobicContact CG2-CB 4Å; V558-V568 HydrophobicContact CG2-CG1 3.48Å; V558-V568 VanDerWaalsContact CG2-CG1 3.48Å; Y564-V568 HydrophobicContact CD2-CB 4.46Å; Y564-V568 HydrophobicContact CD2-CG1 3.52Å; Y564-V568 HydrophobicContact CD2-CG2 4.09Å; Y564-V568 HydrophobicContact CE2-CG1 4.36Å; Y564-V568 HydrophobicContact CE2-CG2 4.32Å; Y564-V568 HydrophobicContact CG-CG1 3.69Å; T566-V568 PolarHBondContact O-N 2.88Å; V568-I570 VanDerWaalsContact C-N 3.3Å; V568-W571 PolarHBondContact O-N 3Å; V568-S572 WeakPolarHBondContact O-CB 3.43Å; V568-S572 PolarHBondContact O-N 3.28Å; V568-S572 VanDerWaalsContact O-N 3.11Å; V568-S572 PolarHBondContact O-OG 2.57Å
569	D	98.9	Very high	97.8	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-70.4	-32.4	179.1	-63.3	-27.9	0	0	0	110.9	L500 H504 I509 H510 R511 I513 T566 E567 S572 L573	L500-D569 HydrophobicContact CD1-CB 4.19Å; L500-D569 HydrophobicContact CD2-CB 3.83Å; H504-D569 IonicContact CD2-OD2 2.68Å; H504-D569 IonicContact CE1-OD2 3.75Å; H504-D569 IonicContact NE2-OD2 3.92Å; H504-D569 PolarHBondContact NE2-OD2 3.31Å; I509-D569 WeakPolarHBondContact CG2-OD2 3.29Å; H510-D569 PolarHBondContact N-OD1 2.92Å; H510-D569 PolarHBondContact N-OD2 3.35Å; R511-D569 WeakPolarHBondContact CA-OD1 3.46Å; R511-D569 PolarHBondContact N-OD1 3Å; I513-D569 HydrophobicContact CG1-CB 4.15Å; T566-D569 PolarHBondContact O-N 3.29Å; E567-D569 VanDerWaalsContact C-N 3.35Å; E567-D569 PolarHBondContact O-N 3.04Å; D569-S572 PolarHBondContact O-N 3.15Å; D569-L573 WeakPolarHBondContact O-CB 3.36Å; D569-L573 PolarHBondContact O-N 3.42Å
570	I	98.9	Very high	97.8	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-69.4	-42.4	177.2	-51.7	-55.2	0	0	0	111.6	L497 L500 E567 V568 S572 L573 G574 M624 R632 A633 A635 L638	L497-I570 HydrophobicContact CD2-CD1 4.37Å; L500-I570 HydrophobicContact CD1-CD1 4.37Å; E567-I570 PolarHBondContact O-N 2.91Å; V568-I570 VanDerWaalsContact C-N 3.3Å; I570-S572 VanDerWaalsContact C-N 3.29Å; I570-S572 PolarHBondContact O-N 3.25Å; I570-L573 PolarHBondContact O-N 2.97Å; I570-G574 PolarHBondContact O-N 3.48Å; I570-M624 HydrophobicContact CG2-CB 4.1Å; I570-M624 HydrophobicContact CG2-CG 3.88Å; I570-R632 HydrophobicContact CG2-CG 4.32Å; I570-A633 WeakPolarHBondContact CG2-O 3.34Å; I570-A635 HydrophobicContact CD1-CB 3.9Å; I570-L638 HydrophobicContact CD1-CD1 4.38Å; I570-L638 HydrophobicContact CG2-CD1 3.4Å
571	W	98.9	Very high	97.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.8	-45.3	172.3	175.1	-77.7	0	0	0	110.5	M554 A555 P556 E567 V568 L573 G574 I575 L599 L625 R627	M554-W571 PolarHBondContact O-NE1 2.67Å; A555-W571 VanDerWaalsContact CA-CD1 3.4Å; A555-W571 HydrophobicContact CB-CB 3.77Å; A555-W571 HydrophobicContact CB-CD2 4.38Å; A555-W571 HydrophobicContact CB-CG 3.71Å; P556-W571 HydrophobicContact CG-CE3 4.35Å; P556-W571 HydrophobicContact CG-CH2 4.07Å; P556-W571 HydrophobicContact CG-CZ2 4.34Å; P556-W571 HydrophobicContact CG-CZ3 4.07Å; E567-W571 PolarHBondContact O-N 2.88Å; V568-W571 PolarHBondContact O-N 3Å; W571-L573 VanDerWaalsContact C-N 3.32Å; W571-L573 PolarHBondContact O-N 3.37Å; W571-G574 WeakPolarHBondContact O-CA 3.29Å; W571-G574 PolarHBondContact O-N 2.79Å; W571-I575 WeakPolarHBondContact O-CG1 3.19Å; W571-I575 PolarHBondContact O-N 2.92Å; W571-L599 HydrophobicContact CZ2-CD2 4.21Å; W571-L625 HydrophobicContact CD2-CD2 3.86Å; W571-L625 HydrophobicContact CE3-CD2 4.05Å; W571-L625 HydrophobicContact CG-CD2 4.28Å; W571-L625 HydrophobicContact CZ2-CD2 4.34Å; W571-L625 HydrophobicContact CZ3-CB 4.35Å; W571-L625 HydrophobicContact CZ3-CD2 4.38Å; W571-L625 VanDerWaalsContact CZ3-O 3.27Å; W571-L625 WeakPolarHBondContact CZ3-O 3.26Å; W571-R627 HydrophobicContact CH2-CG 4.48Å; W571-R627 HydrophobicContact CZ3-CG 4.28Å
572	S	98.9	Very high	97.7	Very high	6 Å²	6	12.6 Å²	12.6	4%	0.042	7%	0.072	C	C	.	.	H	α-helix	trans	-62.8	-38.6	-179.6	-53.6	0	0	0	0	111.6	W553 V568 D569 I570 I575 M576	W553-S572 PolarHBondContact O-OG 2.96Å; V568-S572 WeakPolarHBondContact O-CB 3.43Å; V568-S572 PolarHBondContact O-N 3.28Å; V568-S572 VanDerWaalsContact O-N 3.11Å; V568-S572 PolarHBondContact O-OG 2.57Å; D569-S572 PolarHBondContact O-N 3.15Å; I570-S572 VanDerWaalsContact C-N 3.29Å; I570-S572 PolarHBondContact O-N 3.25Å; S572-I575 WeakPolarHBondContact O-CB 3.2Å; S572-I575 PolarHBondContact O-N 2.81Å; S572-M576 PolarHBondContact O-N 3.43Å
573	L	98.9	Very high	97.5	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.1	-42.5	169.2	177.8	61.8	0	0	0	112.2	V496 L497 L500 I513 D569 I570 W571 I575 M576 V577 M624	V496-L573 HydrophobicContact CB-CD1 4.43Å; V496-L573 HydrophobicContact CG1-CD1 4.03Å; L497-L573 HydrophobicContact CD1-CD2 4.36Å; L497-L573 HydrophobicContact CD2-CD2 3.55Å; L497-L573 HydrophobicContact CG-CD2 3.71Å; L500-L573 HydrophobicContact CD1-CD2 4.41Å; I513-L573 HydrophobicContact CG2-CB 4.21Å; D569-L573 WeakPolarHBondContact O-CB 3.36Å; D569-L573 PolarHBondContact O-N 3.42Å; I570-L573 PolarHBondContact O-N 2.97Å; W571-L573 VanDerWaalsContact C-N 3.32Å; W571-L573 PolarHBondContact O-N 3.37Å; L573-I575 VanDerWaalsContact C-N 3.27Å; L573-I575 PolarHBondContact O-N 2.84Å; L573-M576 HydrophobicContact CD1-CE 3.74Å; L573-M576 CarbonylContact O-C 3.55Å; L573-M576 WeakPolarHBondContact O-CA 3.32Å; L573-M576 WeakPolarHBondContact O-CB 3.38Å; L573-M576 PolarHBondContact O-N 3.06Å; L573-V577 WeakPolarHBondContact O-CG2 3.38Å; L573-V577 PolarHBondContact O-N 3.36Å; L573-M624 HydrophobicContact CB-SD 4.46Å; L573-M624 HydrophobicContact CD2-CE 3.73Å; L573-M624 HydrophobicContact CD2-SD 4.24Å; L573-M624 HydrophobicContact CG-CE 4.01Å; L573-M624 HydrophobicContact CG-SD 3.96Å
574	G	98.8	Very high	97.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.3	-36.8	173.3	0	0	0	0	0	112.9	I570 W571 V577 I578 L621 M624	I570-G574 PolarHBondContact O-N 3.48Å; W571-G574 WeakPolarHBondContact O-CA 3.29Å; W571-G574 PolarHBondContact O-N 2.79Å; G574-V577 PolarHBondContact O-N 3.07Å; G574-I578 PolarHBondContact O-N 3.12Å; G574-I578 VanDerWaalsContact O-N 3.16Å; G574-L621 WeakPolarHBondContact O-CD1 3.44Å; G574-M624 VanDerWaalsContact CA-SD 3.58Å
575	I	98.6	Very high	97.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67	-39.7	171.7	-57.6	-62	0	0	0	111.4	W553 W571 S572 L573 V577 I578 E579 P585 P586 L599 P605 L625	W553-I575 HydrophobicContact CB-CB 4.38Å; W553-I575 HydrophobicContact CB-CG2 4.29Å; W553-I575 VanDerWaalsContact CD1-CG2 3.5Å; W553-I575 HydrophobicContact CD2-CG2 4.45Å; W553-I575 HydrophobicContact CG-CB 4.26Å; W553-I575 HydrophobicContact CG-CG2 3.82Å; W571-I575 WeakPolarHBondContact O-CG1 3.19Å; W571-I575 PolarHBondContact O-N 2.92Å; S572-I575 WeakPolarHBondContact O-CB 3.2Å; S572-I575 PolarHBondContact O-N 2.81Å; L573-I575 VanDerWaalsContact C-N 3.27Å; L573-I575 PolarHBondContact O-N 2.84Å; I575-V577 VanDerWaalsContact C-N 3.28Å; I575-V577 PolarHBondContact O-N 2.97Å; I575-I578 HydrophobicContact CD1-CD1 4.49Å; I575-I578 WeakPolarHBondContact O-CB 3.32Å; I575-I578 PolarHBondContact O-N 2.89Å; I575-I578 VanDerWaalsContact O-N 3.17Å; I575-E579 PolarHBondContact O-N 3.33Å; I575-P585 HydrophobicContact CG2-CB 3.92Å; I575-P586 HydrophobicContact CD1-CG 3.82Å; I575-P586 HydrophobicContact CG2-CG 4.33Å; I575-L599 HydrophobicContact CD1-CD2 4.32Å; I575-P605 HydrophobicContact CD1-CG 3.73Å; I575-L625 HydrophobicContact CD1-CD2 3.91Å; I575-L625 HydrophobicContact CG1-CD2 4.29Å
576	M	98.3	Very high	97	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65	-28.9	173.9	-162.5	-173	86	0	0	112.8	L475 V492 V496 I513 I518 S572 L573 E579 M580	L475-M576 HydrophobicContact CD2-CE 4.26Å; L475-M576 HydrophobicContact CD2-SD 4.48Å; V492-M576 HydrophobicContact CG1-CE 3.79Å; V496-M576 HydrophobicContact CG2-CE 4.48Å; I513-M576 HydrophobicContact CG2-SD 4.4Å; I518-M576 HydrophobicContact CD1-SD 4.3Å; I518-M576 HydrophobicContact CG1-CE 4.04Å; I518-M576 HydrophobicContact CG1-SD 3.52Å; I518-M576 VanDerWaalsContact CG1-SD 3.52Å; S572-M576 PolarHBondContact O-N 3.43Å; L573-M576 HydrophobicContact CD1-CE 3.74Å; L573-M576 CarbonylContact O-C 3.55Å; L573-M576 WeakPolarHBondContact O-CA 3.32Å; L573-M576 WeakPolarHBondContact O-CB 3.38Å; L573-M576 PolarHBondContact O-N 3.06Å; M576-E579 WeakPolarHBondContact O-CB 3.06Å; M576-E579 PolarHBondContact O-N 3.09Å; M576-M580 HydrophobicContact CE-CE 3.71Å; M576-M580 HydrophobicContact CE-SD 4.42Å; M576-M580 WeakPolarHBondContact O-CG 3.31Å; M576-M580 PolarHBondContact O-N 3.48Å
577	V	98.3	Very high	96.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-69.2	-39.3	171.3	171.6	0	0	0	0	111.5	L573 G574 I575 E579 M580 V581 L617 L621 M624	L573-V577 WeakPolarHBondContact O-CG2 3.38Å; L573-V577 PolarHBondContact O-N 3.36Å; G574-V577 PolarHBondContact O-N 3.07Å; I575-V577 VanDerWaalsContact C-N 3.28Å; I575-V577 PolarHBondContact O-N 2.97Å; V577-E579 VanDerWaalsContact C-N 3.31Å; V577-E579 PolarHBondContact O-N 3.02Å; V577-M580 HydrophobicContact CG2-CE 3.97Å; V577-M580 PolarHBondContact O-N 2.97Å; V577-V581 WeakPolarHBondContact O-CG2 3.4Å; V577-V581 PolarHBondContact O-N 3.35Å; V577-L617 HydrophobicContact CG1-CD1 3.8Å; V577-L621 HydrophobicContact CB-CD1 4.06Å; V577-L621 HydrophobicContact CG1-CD1 4.01Å; V577-M624 HydrophobicContact CG2-SD 4.23Å
578	I	97.2	Very high	96.5	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-59.9	-45.3	169.6	-65	175.4	0	0	0	110.1	G574 I575 M580 V581 D582 P586 P605 L607 L621 L625	G574-I578 PolarHBondContact O-N 3.12Å; G574-I578 VanDerWaalsContact O-N 3.16Å; I575-I578 HydrophobicContact CD1-CD1 4.49Å; I575-I578 WeakPolarHBondContact O-CB 3.32Å; I575-I578 PolarHBondContact O-N 2.89Å; I575-I578 VanDerWaalsContact O-N 3.17Å; I578-M580 PolarHBondContact O-N 3.21Å; I578-V581 PolarHBondContact O-N 3.5Å; I578-V581 VanDerWaalsContact O-N 3.15Å; I578-D582 HydrophobicContact CG2-CB 4.47Å; I578-D582 WeakPolarHBondContact O-CB 3.47Å; I578-D582 PolarHBondContact O-N 3.29Å; I578-P586 HydrophobicContact CD1-CG 4.4Å; I578-P605 HydrophobicContact CD1-CB 3.98Å; I578-P605 HydrophobicContact CD1-CG 3.98Å; I578-L607 HydrophobicContact CB-CD2 4.25Å; I578-L607 HydrophobicContact CG1-CD2 3.96Å; I578-L607 HydrophobicContact CG2-CD2 4.37Å; I578-L621 HydrophobicContact CG1-CD1 4.27Å; I578-L621 HydrophobicContact CG1-CD2 4.06Å; I578-L625 HydrophobicContact CD1-CD1 3.77Å; I578-L625 HydrophobicContact CG1-CD1 4.48Å
579	E	95.3	Very high	96.1	Very high	8 Å²	8	18.9 Å²	18.9	4%	0.037	11%	0.109	C	C	.	.	H	α-helix	trans	-59.1	-43	179.2	-172.9	-179.6	-170.4	0	0	112.7	V479 S515 W553 I575 M576 V577 V581 G583	V479-E579 HydrophobicContact CG2-CG 4.32Å; S515-E579 VanDerWaalsContact CB-OE1 3.31Å; S515-E579 WeakPolarHBondContact CB-OE1 3.44Å; S515-E579 PolarHBondContact N-OE2 3.45Å; S515-E579 VanDerWaalsContact OG-CD 3.25Å; S515-E579 PolarHBondContact OG-OE1 3.28Å; W553-E579 PolarHBondContact NE1-OE2 3.49Å; I575-E579 PolarHBondContact O-N 3.33Å; M576-E579 WeakPolarHBondContact O-CB 3.06Å; M576-E579 PolarHBondContact O-N 3.09Å; V577-E579 VanDerWaalsContact C-N 3.31Å; V577-E579 PolarHBondContact O-N 3.02Å; E579-V581 VanDerWaalsContact C-N 3.32Å; E579-V581 PolarHBondContact O-N 2.85Å; E579-G583 WeakPolarHBondContact O-CA 3.34Å; E579-G583 PolarHBondContact O-N 3.29Å
580	M	96.6	Very high	95.8	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.015	12%	0.115	C	C	.	.	H	α-helix	trans	-66.2	-26.7	175.5	-74.4	-175.2	-76.4	0	0	114.3	L475 V479 L484 I489 V492 M576 V577 I578	L475-M580 HydrophobicContact CD2-CG 4.27Å; L475-M580 HydrophobicContact CD2-SD 4.02Å; V479-M580 HydrophobicContact CG1-CB 4.47Å; V479-M580 HydrophobicContact CG1-CG 3.89Å; L484-M580 HydrophobicContact CD2-CG 4.22Å; L484-M580 HydrophobicContact CD2-SD 3.97Å; I489-M580 HydrophobicContact CD1-CB 4.3Å; I489-M580 HydrophobicContact CG1-CB 4.08Å; I489-M580 HydrophobicContact CG1-SD 4.3Å; I489-M580 HydrophobicContact CG2-CE 4.1Å; I489-M580 HydrophobicContact CG2-SD 4.5Å; V492-M580 HydrophobicContact CB-SD 4.08Å; V492-M580 HydrophobicContact CG1-CE 4.2Å; V492-M580 HydrophobicContact CG1-SD 3.79Å; M576-M580 HydrophobicContact CE-CE 3.71Å; M576-M580 HydrophobicContact CE-SD 4.42Å; M576-M580 WeakPolarHBondContact O-CG 3.31Å; M576-M580 PolarHBondContact O-N 3.48Å; V577-M580 HydrophobicContact CG2-CE 3.97Å; V577-M580 PolarHBondContact O-N 2.97Å; I578-M580 PolarHBondContact O-N 3.21Å
581	V	95.4	Very high	95.5	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.042	13%	0.132	C	C	.	.	H	α-helix	trans	-94.1	-39.7	-177.1	174.9	0	0	0	0	113	R483 I489 V577 I578 E579 L607 N609 T613 L617	R483-V581 PolarHBondContact NH1-O 3.28Å; I489-V581 HydrophobicContact CD1-CG2 3.72Å; V577-V581 WeakPolarHBondContact O-CG2 3.4Å; V577-V581 PolarHBondContact O-N 3.35Å; I578-V581 PolarHBondContact O-N 3.5Å; I578-V581 VanDerWaalsContact O-N 3.15Å; E579-V581 VanDerWaalsContact C-N 3.32Å; E579-V581 PolarHBondContact O-N 2.85Å; V581-L607 HydrophobicContact CB-CD2 3.79Å; V581-L607 HydrophobicContact CG1-CD1 4.45Å; V581-L607 HydrophobicContact CG1-CD2 3.83Å; V581-L607 HydrophobicContact CG2-CD2 4.27Å; V581-N609 HydrophobicContact CG1-CB 4.49Å; V581-T613 HydrophobicContact CG1-CG2 3.81Å; V581-T613 HydrophobicContact CG2-CG2 4.49Å; V581-L617 HydrophobicContact CG2-CD2 4.16Å
582	D	92.5	Very high	95.1	Very high	22 Å²	22	23.5 Å²	23.5	12%	0.118	14%	0.139	C	C	.	.	H	α-helix	trans	-103	-11.2	-175.5	-74.2	-21.9	0	0	0	113.5	I578 E584 K608 N609	I578-D582 HydrophobicContact CG2-CB 4.47Å; I578-D582 WeakPolarHBondContact O-CB 3.47Å; I578-D582 PolarHBondContact O-N 3.29Å; D582-E584 VanDerWaalsContact C-N 3.33Å; D582-K608 HydrophobicContact CB-CD 4.27Å; D582-K608 WeakPolarHBondContact OD2-CB 3.34Å; D582-K608 WeakPolarHBondContact OD2-CG 3.28Å; D582-K608 PolarHBondContact OD2-N 2.76Å; D582-N609 WeakPolarHBondContact OD1-CB 3.42Å; D582-N609 PolarHBondContact OD1-N 3.36Å; D582-N609 PolarHBondContact OD1-ND2 3Å
583	G	91.9	Very high	94.8	Very high	34 Å²	34	24.2 Å²	24.2	35%	0.351	14%	0.143	S	C	.	.	S	Bend	trans	81.7	2.5	178.6	0	0	0	0	0	115.4	E579	E579-G583 WeakPolarHBondContact O-CA 3.34Å; E579-G583 PolarHBondContact O-N 3.29Å
584	E	92.8	Very high	94.5	Very high	26 Å²	26	29.4 Å²	29.4	12%	0.121	17%	0.167	C	C	.	.	S	Bend	trans	-160.2	150.6	178.6	67.8	-169.2	166.3	0	0	109.9	R109 D582 F588 K608	R109-E584 IonicContact CZ-OE1 2.72Å; R109-E584 IonicContact CZ-OE2 3.82Å; R109-E584 VanDerWaalsContact NH1-CD 3.27Å; R109-E584 IonicContact NH1-OE1 3.44Å; R109-E584 PolarHBondContact NH1-OE1 2.86Å; R109-E584 VanDerWaalsContact NH1-OE1 3.07Å; R109-E584 IonicContact NH1-OE2 3.36Å; R109-E584 PolarHBondContact NH1-OE2 3.36Å; R109-E584 IonicContact NH2-OE1 3.07Å; R109-E584 PolarHBondContact NH2-OE1 3.03Å; R109-E584 IonicContact NH2-OE2 2.93Å; D582-E584 VanDerWaalsContact C-N 3.33Å; E584-F588 HydrophobicContact CB-CB 4.33Å; E584-F588 HydrophobicContact CB-CD1 4.07Å; E584-F588 HydrophobicContact CB-CG 4.37Å; E584-K608 VanDerWaalsContact CD-NZ 3.32Å; E584-K608 IonicContact OE1-NZ 2.68Å; E584-K608 PolarHBondContact OE1-NZ 3.45Å
585	P	95	Very high	94.3	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.026	17%	0.167	C	C	.	.			trans	-64.8	164.1	173.6	27.9	-34.8	0	0	0	112	W553 I575 F588	W553-P585 HydrophobicContact CH2-CG 3.82Å; W553-P585 HydrophobicContact CZ2-CB 4.15Å; W553-P585 HydrophobicContact CZ2-CG 3.78Å; W553-P585 HydrophobicContact CZ3-CG 4.37Å; I575-P585 HydrophobicContact CG2-CB 3.92Å; P585-F588 HydrophobicContact CG-CB 4.08Å; P585-F588 HydrophobicContact CG-CD2 3.74Å; P585-F588 HydrophobicContact CG-CE2 4.49Å; P585-F588 HydrophobicContact CG-CG 4.13Å; P585-F588 WeakPolarHBondContact O-CB 3.2Å
586	P	95	Very high	94.1	Very high	10 Å²	10	29.8 Å²	29.8	7%	0.065	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	149.6	172.1	29.4	-33.2	0	0	0	110.2	I575 I578 F588 L599 P605	I575-P586 HydrophobicContact CD1-CG 3.82Å; I575-P586 HydrophobicContact CG2-CG 4.33Å; I578-P586 HydrophobicContact CD1-CG 4.4Å; P586-F588 PolarHBondContact O-N 2.84Å; P586-F588 VanDerWaalsContact O-N 3.1Å; P586-L599 HydrophobicContact CG-CD2 4.47Å; P586-P605 HydrophobicContact CB-CB 3.58Å; P586-P605 HydrophobicContact CB-CG 4.32Å; P586-P605 HydrophobicContact CG-CB 3.71Å; P586-P605 HydrophobicContact CG-CG 3.89Å
587	Y	94.8	Very high	94	Very high	56 Å²	56	33.8 Å²	33.8	22%	0.22	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	12.2	177.4	-47.7	-54.9	0	0	0	115.8	Y552 S589 D590 R598 L599 P605	Y552-Y587 WeakPolarHBondContact CE1-O 3.08Å; Y587-S589 PolarHBondContact O-N 2.9Å; Y587-D590 VanDerWaalsContact CB-OD2 3.26Å; Y587-D590 WeakPolarHBondContact CB-OD2 3.43Å; Y587-D590 VanDerWaalsContact O-CB 3.31Å; Y587-D590 WeakPolarHBondContact O-CB 3.39Å; Y587-D590 PolarHBondContact O-N 2.73Å; Y587-R598 HydrophobicContact CD1-CB 4.12Å; Y587-R598 HydrophobicContact CD1-CG 4.43Å; Y587-R598 HydrophobicContact CD2-CB 3.96Å; Y587-R598 HydrophobicContact CE1-CB 4.04Å; Y587-R598 HydrophobicContact CE1-CG 4.42Å; Y587-R598 HydrophobicContact CE2-CB 3.85Å; Y587-R598 HydrophobicContact CG-CB 4.1Å; Y587-L599 HydrophobicContact CD2-CD2 4.09Å; Y587-L599 HydrophobicContact CD2-CG 3.99Å; Y587-L599 HydrophobicContact CE2-CD2 3.95Å; Y587-L599 HydrophobicContact CE2-CG 4.13Å; Y587-P605 HydrophobicContact CE2-CB 4.48Å
588	F	92.3	Very high	93.9	Very high	109 Å²	109	39.3 Å²	39.3	48%	0.478	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-20.7	-178.8	-166.8	-120.2	0	0	0	115.2	E584 P585 P586 D590	E584-F588 HydrophobicContact CB-CB 4.33Å; E584-F588 HydrophobicContact CB-CD1 4.07Å; E584-F588 HydrophobicContact CB-CG 4.37Å; P585-F588 HydrophobicContact CG-CB 4.08Å; P585-F588 HydrophobicContact CG-CD2 3.74Å; P585-F588 HydrophobicContact CG-CE2 4.49Å; P585-F588 HydrophobicContact CG-CG 4.13Å; P585-F588 WeakPolarHBondContact O-CB 3.2Å; P586-F588 PolarHBondContact O-N 2.84Å; P586-F588 VanDerWaalsContact O-N 3.1Å; F588-D590 VanDerWaalsContact C-N 3.33Å
589	S	90.9	Very high	93.8	Very high	109 Å²	109	39.4 Å²	39.4	76%	0.762	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-19.6	171.8	53.8	0	0	0	0	114.5	Y587	Y587-S589 PolarHBondContact O-N 2.9Å
590	D	92.3	Very high	93.9	Very high	22 Å²	22	40.4 Å²	40.4	12%	0.118	21%	0.211	C	C	.	.	S	Bend	trans	-91.3	160.1	-175.1	-47.9	-32.1	0	0	0	110.4	Y552 Y587 F588 Q594 R598	Y552-D590 PolarHBondContact OH-O 3.16Å; Y587-D590 VanDerWaalsContact CB-OD2 3.26Å; Y587-D590 WeakPolarHBondContact CB-OD2 3.43Å; Y587-D590 VanDerWaalsContact O-CB 3.31Å; Y587-D590 WeakPolarHBondContact O-CB 3.39Å; Y587-D590 PolarHBondContact O-N 2.73Å; F588-D590 VanDerWaalsContact C-N 3.33Å; D590-Q594 HydrophobicContact CB-CB 3.95Å; D590-R598 IonicContact OD1-CZ 2.66Å; D590-R598 IonicContact OD1-NH1 3.57Å; D590-R598 PolarHBondContact OD1-NH1 3.24Å; D590-R598 VanDerWaalsContact OD2-CD 3.28Å; D590-R598 WeakPolarHBondContact OD2-CD 3.45Å; D590-R598 IonicContact OD2-CZ 3.58Å; D590-R598 IonicContact OD2-NE 3.92Å; D590-R598 IonicContact OD2-NH1 3.63Å; D590-R598 PolarHBondContact OD2-NH1 3.32Å
591	S	92.8	Very high	93.8	Very high	52 Å²	52	44.6 Å²	44.6	36%	0.364	23%	0.234	S	C	.	.			trans	-65.3	151.8	171.7	75.4	0	0	0	0	110.9	V593 Q594 A595	S591-V593 PolarHBondContact O-N 3.4Å; S591-Q594 WeakPolarHBondContact O-CA 3.35Å; S591-Q594 WeakPolarHBondContact O-CB 3.5Å; S591-Q594 PolarHBondContact O-N 2.93Å; S591-Q594 WeakPolarHBondContact OG-CG 3.2Å; S591-A595 PolarHBondContact O-N 3.35Å
592	P	91.1	Very high	93.8	Very high	25 Å²	25	46 Å²	46	16%	0.162	24%	0.244	C	C	.	.	H	α-helix	trans	-53.9	-32.8	-175.4	-29.8	35.3	0	0	0	114.6	P551 Y552 M596	P551-P592 HydrophobicContact CB-CB 3.78Å; P551-P592 HydrophobicContact CG-CB 3.92Å; Y552-P592 HydrophobicContact CE2-CB 4.48Å; Y552-P592 HydrophobicContact CE2-CG 4.2Å; Y552-P592 WeakPolarHBondContact OH-CD 3.48Å; P592-M596 WeakPolarHBondContact O-CB 3.43Å; P592-M596 PolarHBondContact O-N 3.17Å
593	V	91.1	Very high	94	Very high	20 Å²	20	49.8 Å²	49.8	12%	0.121	27%	0.27	C	S	.	.	H	α-helix	trans	-72.6	-38.4	176.6	-168.1	0	0	0	0	112	I82 I85 L86 I89 S591 K597	I82-V593 HydrophobicContact CG2-CG1 4.04Å; I85-V593 HydrophobicContact CG2-CG1 4.19Å; L86-V593 HydrophobicContact CD2-CB 4.3Å; L86-V593 HydrophobicContact CD2-CG1 4.26Å; L86-V593 HydrophobicContact CD2-CG2 3.77Å; L86-V593 HydrophobicContact CG-CG1 4.24Å; L86-V593 HydrophobicContact CG-CG2 4.45Å; I89-V593 HydrophobicContact CB-CG2 4.19Å; I89-V593 HydrophobicContact CD1-CG2 3.8Å; I89-V593 HydrophobicContact CG2-CG2 3.79Å; S591-V593 PolarHBondContact O-N 3.4Å; V593-K597 WeakPolarHBondContact O-CB 3.37Å; V593-K597 PolarHBondContact O-N 2.94Å
594	Q	93.9	Very high	94.2	Very high	109 Å²	109	50.4 Å²	50.4	51%	0.509	27%	0.268	S	S	.	.	H	α-helix	trans	-69.4	-42.2	176.2	-71.1	170.7	-6.7	0	0	111.1	D590 S591 K597 R598	D590-Q594 HydrophobicContact CB-CB 3.95Å; S591-Q594 WeakPolarHBondContact O-CA 3.35Å; S591-Q594 WeakPolarHBondContact O-CB 3.5Å; S591-Q594 PolarHBondContact O-N 2.93Å; S591-Q594 WeakPolarHBondContact OG-CG 3.2Å; Q594-K597 PolarHBondContact O-N 2.55Å; Q594-R598 WeakPolarHBondContact O-CG 3.42Å; Q594-R598 PolarHBondContact O-N 3.35Å
595	A	93.9	Very high	94.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.1	-47.4	173.3	0	0	0	0	0	111.6	Y552 S591 R598 L599	Y552-A595 HydrophobicContact CD1-CB 3.44Å; Y552-A595 VanDerWaalsContact CD1-CB 3.44Å; Y552-A595 HydrophobicContact CE1-CB 3.4Å; Y552-A595 VanDerWaalsContact CE1-CB 3.4Å; Y552-A595 HydrophobicContact CG-CB 4.43Å; S591-A595 PolarHBondContact O-N 3.35Å; A595-R598 PolarHBondContact O-N 2.96Å; A595-L599 WeakPolarHBondContact O-CG 3.35Å; A595-L599 PolarHBondContact O-N 2.62Å
596	M	95.1	Very high	94.1	Very high	9 Å²	9	56.4 Å²	56.4	4%	0.044	29%	0.294	C	S	.	.	H	α-helix	trans	-64.7	-38.7	174.8	-81.4	-169.6	-70	0	0	113.5	I89 P551 M554 I559 P592 R598 L599 R600	I89-M596 HydrophobicContact CD1-CE 3.23Å; I89-M596 HydrophobicContact CG1-CE 4.38Å; P551-M596 HydrophobicContact CB-CE 3.81Å; P551-M596 HydrophobicContact CB-CG 4.02Å; P551-M596 HydrophobicContact CB-SD 4.04Å; P551-M596 HydrophobicContact CG-CE 3.87Å; P551-M596 HydrophobicContact CG-SD 4.37Å; P551-M596 VanDerWaalsContact O-CG 3.31Å; P551-M596 WeakPolarHBondContact O-CG 3.14Å; M554-M596 HydrophobicContact SD-SD 3.55Å; I559-M596 HydrophobicContact CD1-CB 4.02Å; I559-M596 HydrophobicContact CD1-CG 3.82Å; I559-M596 HydrophobicContact CG1-CB 4.36Å; I559-M596 HydrophobicContact CG1-CG 4.05Å; I559-M596 HydrophobicContact CG1-SD 4.13Å; I559-M596 HydrophobicContact CG2-CB 3.88Å; I559-M596 HydrophobicContact CG2-CG 4.38Å; I559-M596 HydrophobicContact CG2-SD 4.44Å; P592-M596 WeakPolarHBondContact O-CB 3.43Å; P592-M596 PolarHBondContact O-N 3.17Å; M596-R598 VanDerWaalsContact C-N 3.3Å; M596-R598 PolarHBondContact O-N 3.37Å; M596-L599 PolarHBondContact O-N 3.2Å; M596-R600 WeakPolarHBondContact O-CB 3.31Å; M596-R600 PolarHBondContact O-N 3.37Å
597	K	94.9	Very high	94	Very high	84 Å²	84	56.4 Å²	56.4	37%	0.365	29%	0.294	S	S	.	.	H	α-helix	trans	-58.9	-44	171.5	-168.2	179.8	-175	172.4	0	110.2	E79 I82 V593 Q594 R600 D601	E79-K597 IonicContact OE1-NZ 2.6Å; E79-K597 PolarHBondContact OE1-NZ 3.06Å; I82-K597 HydrophobicContact CD1-CD 3.81Å; I82-K597 HydrophobicContact CD1-CG 4.21Å; V593-K597 WeakPolarHBondContact O-CB 3.37Å; V593-K597 PolarHBondContact O-N 2.94Å; Q594-K597 PolarHBondContact O-N 2.55Å; K597-R600 PolarHBondContact O-N 2.68Å; K597-D601 WeakPolarHBondContact CG-OD2 3.33Å; K597-D601 VanDerWaalsContact O-CB 3.24Å; K597-D601 WeakPolarHBondContact O-CB 3.26Å; K597-D601 VanDerWaalsContact O-CG 3.31Å; K597-D601 PolarHBondContact O-N 2.93Å
598	R	96.6	Very high	93.6	Very high	116 Å²	116	58.9 Å²	58.9	44%	0.438	31%	0.305	S	S	.	.	H	α-helix	trans	-64.1	-49.1	177.3	-74.4	177.2	174.5	-178.4	-0.7	112.3	Y587 D590 Q594 A595 M596 R600 D601 S602	Y587-R598 HydrophobicContact CD1-CB 4.12Å; Y587-R598 HydrophobicContact CD1-CG 4.43Å; Y587-R598 HydrophobicContact CD2-CB 3.96Å; Y587-R598 HydrophobicContact CE1-CB 4.04Å; Y587-R598 HydrophobicContact CE1-CG 4.42Å; Y587-R598 HydrophobicContact CE2-CB 3.85Å; Y587-R598 HydrophobicContact CG-CB 4.1Å; D590-R598 IonicContact OD1-CZ 2.66Å; D590-R598 IonicContact OD1-NH1 3.57Å; D590-R598 PolarHBondContact OD1-NH1 3.24Å; D590-R598 VanDerWaalsContact OD2-CD 3.28Å; D590-R598 WeakPolarHBondContact OD2-CD 3.45Å; D590-R598 IonicContact OD2-CZ 3.58Å; D590-R598 IonicContact OD2-NE 3.92Å; D590-R598 IonicContact OD2-NH1 3.63Å; D590-R598 PolarHBondContact OD2-NH1 3.32Å; Q594-R598 WeakPolarHBondContact O-CG 3.42Å; Q594-R598 PolarHBondContact O-N 3.35Å; A595-R598 PolarHBondContact O-N 2.96Å; M596-R598 VanDerWaalsContact C-N 3.3Å; M596-R598 PolarHBondContact O-N 3.37Å; R598-R600 VanDerWaalsContact C-N 3.33Å; R598-R600 PolarHBondContact O-N 3.1Å; R598-D601 PolarHBondContact O-N 2.62Å; R598-S602 WeakPolarHBondContact O-CA 3.39Å; R598-S602 WeakPolarHBondContact O-CB 3.43Å; R598-S602 PolarHBondContact O-N 3.04Å; R598-S602 PolarHBondContact O-OG 3.26Å
599	L	96.3	Very high	93.1	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-58.9	-42	176.8	-70.4	163.8	0	0	0	112.2	Y552 I559 W571 I575 P586 Y587 A595 M596 P605 R627	Y552-L599 WeakPolarHBondContact O-CD1 3.49Å; I559-L599 HydrophobicContact CD1-CB 3.78Å; I559-L599 HydrophobicContact CD1-CD1 4.33Å; W571-L599 HydrophobicContact CZ2-CD2 4.21Å; I575-L599 HydrophobicContact CD1-CD2 4.32Å; P586-L599 HydrophobicContact CG-CD2 4.47Å; Y587-L599 HydrophobicContact CD2-CD2 4.09Å; Y587-L599 HydrophobicContact CD2-CG 3.99Å; Y587-L599 HydrophobicContact CE2-CD2 3.95Å; Y587-L599 HydrophobicContact CE2-CG 4.13Å; A595-L599 WeakPolarHBondContact O-CG 3.35Å; A595-L599 PolarHBondContact O-N 2.62Å; M596-L599 PolarHBondContact O-N 3.2Å; L599-P605 HydrophobicContact CD2-CG 4.27Å; L599-R627 PolarHBondContact O-NH1 3.24Å
600	R	96.3	Very high	92.8	Very high	29 Å²	29	55 Å²	55	11%	0.109	28%	0.277	C	S	.	.	H	α-helix	trans	-70.4	-43.7	178.2	-167.2	-168.9	64.4	-151.4	-8.3	112.8	I559 A560 M596 K597 R598 R627	I559-R600 HydrophobicContact CB-CB 4.24Å; I559-R600 HydrophobicContact CB-CG 4.45Å; I559-R600 HydrophobicContact CG2-CB 3.94Å; I559-R600 HydrophobicContact CG2-CG 4.34Å; A560-R600 HydrophobicContact CB-CG 4.21Å; M596-R600 WeakPolarHBondContact O-CB 3.31Å; M596-R600 PolarHBondContact O-N 3.37Å; K597-R600 PolarHBondContact O-N 2.68Å; R598-R600 VanDerWaalsContact C-N 3.33Å; R598-R600 PolarHBondContact O-N 3.1Å; R600-R627 PolarHBondContact O-NH1 2.81Å; R600-R627 PolarHBondContact O-NH2 3.34Å
601	D	95.1	Very high	92.5	Very high	91 Å²	91	60.7 Å²	60.7	49%	0.487	30%	0.302	S	S	.	.	H	α-helix	trans	-101.8	-12.2	-165.6	-57.4	-20.4	0	0	0	114.4	K597 R598	K597-D601 WeakPolarHBondContact CG-OD2 3.33Å; K597-D601 VanDerWaalsContact O-CB 3.24Å; K597-D601 WeakPolarHBondContact O-CB 3.26Å; K597-D601 VanDerWaalsContact O-CG 3.31Å; K597-D601 PolarHBondContact O-N 2.93Å; R598-D601 PolarHBondContact O-N 2.62Å
602	S	95.6	Very high	92	Very high	36 Å²	36	64.1 Å²	64.1	25%	0.252	31%	0.307	S	S	.	.	S	Bend	trans	-100.9	167.7	-176.8	-42.7	0	0	0	0	113.2	R598 R627	R598-S602 WeakPolarHBondContact O-CA 3.39Å; R598-S602 WeakPolarHBondContact O-CB 3.43Å; R598-S602 PolarHBondContact O-N 3.04Å; R598-S602 PolarHBondContact O-OG 3.26Å; S602-R627 PolarHBondContact O-NH1 2.87Å
603	P	96	Very high	92.1	Very high	102 Å²	102	63.8 Å²	63.8	66%	0.662	31%	0.305	S	S	*	.	S	Bend	trans	-55.4	160.9	161.7	-22.9	35	0	0	0	112.1
604	P	96	Very high	92.4	Very high	48 Å²	48	64.2 Å²	64.2	31%	0.312	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-50.2	141.1	175.4	-29.3	36.9	0	0	0	113.1	L625 R627	P604-L625 HydrophobicContact CB-CB 4.28Å; P604-L625 WeakPolarHBondContact CG-O 3.46Å; P604-R627 HydrophobicContact CG-CG 3.78Å
605	P	95.2	Very high	92.5	Very high	10 Å²	10	63.4 Å²	63.4	7%	0.065	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-63.7	147.3	174.4	27.3	-31.9	0	0	0	110.2	I575 I578 P586 Y587 L599 L625	I575-P605 HydrophobicContact CD1-CG 3.73Å; I578-P605 HydrophobicContact CD1-CB 3.98Å; I578-P605 HydrophobicContact CD1-CG 3.98Å; P586-P605 HydrophobicContact CB-CB 3.58Å; P586-P605 HydrophobicContact CB-CG 4.32Å; P586-P605 HydrophobicContact CG-CB 3.71Å; P586-P605 HydrophobicContact CG-CG 3.89Å; Y587-P605 HydrophobicContact CE2-CB 4.48Å; L599-P605 HydrophobicContact CD2-CG 4.27Å; P605-L625 HydrophobicContact CG-CD1 4.14Å
606	K	91.4	Very high	92.7	Very high	145 Å²	145	66.2 Å²	66.2	63%	0.63	33%	0.33	S	S	*	.			trans	-123.3	152	179.5	-62.4	-164.6	175.1	-152.7	0	110.6	K608	K606-K608 PolarHBondContact O-N 2.84Å
607	L	91.9	Very high	92.9	Very high	11 Å²	11	65.8 Å²	65.8	6%	0.058	33%	0.328	C	S	.	.			trans	-56.6	128.8	174.1	-65.2	171	0	0	0	111.4	I578 V581 N609 F610 T613 L621	I578-L607 HydrophobicContact CB-CD2 4.25Å; I578-L607 HydrophobicContact CG1-CD2 3.96Å; I578-L607 HydrophobicContact CG2-CD2 4.37Å; V581-L607 HydrophobicContact CB-CD2 3.79Å; V581-L607 HydrophobicContact CG1-CD1 4.45Å; V581-L607 HydrophobicContact CG1-CD2 3.83Å; V581-L607 HydrophobicContact CG2-CD2 4.27Å; L607-N609 VanDerWaalsContact C-N 3.33Å; L607-F610 PolarHBondContact O-N 3.1Å; L607-T613 HydrophobicContact CD1-CG2 3.85Å; L607-L621 HydrophobicContact CD1-CD2 3.85Å; L607-L621 HydrophobicContact CD2-CD2 3.99Å; L607-L621 HydrophobicContact CG-CD2 3.64Å
608	K	87.8	Confident	93	Very high	107 Å²	107	64 Å²	64	47%	0.465	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-42.4	170.6	-59.2	158.6	-169.8	152.4	0	109.5	D582 E584 K606 F610	D582-K608 HydrophobicContact CB-CD 4.27Å; D582-K608 WeakPolarHBondContact OD2-CB 3.34Å; D582-K608 WeakPolarHBondContact OD2-CG 3.28Å; D582-K608 PolarHBondContact OD2-N 2.76Å; E584-K608 VanDerWaalsContact CD-NZ 3.32Å; E584-K608 IonicContact OE1-NZ 2.68Å; E584-K608 PolarHBondContact OE1-NZ 3.45Å; K606-K608 PolarHBondContact O-N 2.84Å; K608-F610 VanDerWaalsContact C-N 3.28Å; K608-F610 PolarHBondContact O-N 3.03Å
609	N	80.8	Confident	93.1	Very high	41 Å²	41	61.8 Å²	61.8	22%	0.219	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	36.2	178.7	-67.9	-82.4	0	0	0	113.8	V581 D582 L607 H611 R612	V581-N609 HydrophobicContact CG1-CB 4.49Å; D582-N609 WeakPolarHBondContact OD1-CB 3.42Å; D582-N609 PolarHBondContact OD1-N 3.36Å; D582-N609 PolarHBondContact OD1-ND2 3Å; L607-N609 VanDerWaalsContact C-N 3.33Å; N609-H611 PolarHBondContact O-N 3.15Å; N609-R612 HydrophobicContact CB-CB 4.44Å; N609-R612 PolarHBondContact O-N 2.75Å
610	F	85.3	Confident	93.2	Very high	97 Å²	97	61.7 Å²	61.7	43%	0.425	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-45.9	-41.8	-177.7	-174.5	-80.1	0	0	0	113.9	L607 K608 R612 T613 R618	L607-F610 PolarHBondContact O-N 3.1Å; K608-F610 VanDerWaalsContact C-N 3.28Å; K608-F610 PolarHBondContact O-N 3.03Å; F610-R612 PolarHBondContact O-N 3.07Å; F610-T613 PolarHBondContact O-N 3.46Å; F610-T613 PolarHBondContact O-OG1 3.49Å; F610-R618 HydrophobicContact CE2-CG 4.47Å; F610-R618 PolarHBondContact O-NH1 3.45Å
611	H	84.9	Confident	93.3	Very high	140 Å²	140	60.8 Å²	60.8	65%	0.648	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-68.4	-12.6	-180	68.8	-88.5	0	0	0	114.7	N609	N609-H611 PolarHBondContact O-N 3.15Å
612	R	83.3	Confident	93.4	Very high	125 Å²	125	61.4 Å²	61.4	47%	0.472	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-106.8	27.1	179.6	-50.3	-170.7	178.8	-165.2	-2.9	112.4	D120 R483 N609 F610	D120-R612 IonicContact OD2-NH2 2.65Å; D120-R612 PolarHBondContact OD2-NH2 3.11Å; R483-R612 PolarHBondContact NH2-O 2.97Å; N609-R612 HydrophobicContact CB-CB 4.44Å; N609-R612 PolarHBondContact O-N 2.75Å; F610-R612 PolarHBondContact O-N 3.07Å
613	T	93.3	Very high	93.5	Very high	17 Å²	17	64.6 Å²	64.6	10%	0.104	32%	0.319	C	S	.	.	S	Bend	trans	-134.2	154.9	177.1	55.7	0	0	0	0	112	E486 V581 L607 F610 L617 R618	E486-T613 VanDerWaalsContact OE1-CA 3.23Å; E486-T613 WeakPolarHBondContact OE1-CA 3.33Å; V581-T613 HydrophobicContact CG1-CG2 3.81Å; V581-T613 HydrophobicContact CG2-CG2 4.49Å; L607-T613 HydrophobicContact CD1-CG2 3.85Å; F610-T613 PolarHBondContact O-N 3.46Å; F610-T613 PolarHBondContact O-OG1 3.49Å; T613-L617 HydrophobicContact CG2-CD2 3.74Å; T613-R618 PolarHBondContact O-NH1 3.06Å; T613-R618 PolarHBondContact OG1-NH1 3.43Å; T613-R618 VanDerWaalsContact OG1-NH1 3.1Å
614	S	97	Very high	93.7	Very high	29 Å²	29	59.8 Å²	59.8	20%	0.203	29%	0.287	C	S	.	.			trans	-71.8	157.9	174.5	73.3	0	0	0	0	111.9	E486 V616 L617 R618	E486-S614 PolarHBondContact OE1-N 2.89Å; E486-S614 WeakPolarHBondContact OE2-CB 3.31Å; E486-S614 PolarHBondContact OE2-OG 3.13Å; S614-V616 PolarHBondContact O-N 3.1Å; S614-V616 PolarHBondContact OG-N 2.91Å; S614-L617 WeakPolarHBondContact OG-CB 3.43Å; S614-L617 PolarHBondContact OG-N 3.02Å; S614-R618 PolarHBondContact O-N 3.45Å
615	P	96.9	Very high	93.8	Very high	93 Å²	93	57.8 Å²	57.8	60%	0.604	27%	0.274	S	S	*	.	H	α-helix	trans	-59.1	-29.2	167.9	-21.8	33.3	0	0	0	112.9	R618 D619	P615-R618 PolarHBondContact O-N 3.14Å; P615-D619 PolarHBondContact O-N 3.42Å
616	V	98.1	Very high	94	Very high	58 Å²	58	59.2 Å²	59.2	35%	0.352	28%	0.283	S	S	.	.	H	α-helix	trans	-75.9	-41.7	-174.4	-165.2	0	0	0	0	111.4	S614 R618 D619 F620 P642 F643	S614-V616 PolarHBondContact O-N 3.1Å; S614-V616 PolarHBondContact OG-N 2.91Å; V616-R618 PolarHBondContact O-N 2.97Å; V616-D619 PolarHBondContact O-N 3.04Å; V616-F620 WeakPolarHBondContact O-CB 3.39Å; V616-F620 PolarHBondContact O-N 3.49Å; V616-P642 HydrophobicContact CG1-CB 4.08Å; V616-F643 HydrophobicContact CG1-CB 3.99Å
617	L	98	Very high	94.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.6	-34.3	170.1	175.6	52.1	0	0	0	111.7	E486 I489 V577 V581 T613 S614 F620 L621 F643	E486-L617 HydrophobicContact CG-CD2 3.88Å; I489-L617 HydrophobicContact CG2-CD1 4.44Å; V577-L617 HydrophobicContact CG1-CD1 3.8Å; V581-L617 HydrophobicContact CG2-CD2 4.16Å; T613-L617 HydrophobicContact CG2-CD2 3.74Å; S614-L617 WeakPolarHBondContact OG-CB 3.43Å; S614-L617 PolarHBondContact OG-N 3.02Å; L617-F620 HydrophobicContact CD1-CD1 4.46Å; L617-L621 WeakPolarHBondContact O-CB 3.42Å; L617-L621 PolarHBondContact O-N 3.04Å; L617-F643 HydrophobicContact CB-CD2 3.81Å; L617-F643 HydrophobicContact CB-CE2 3.61Å; L617-F643 HydrophobicContact CB-CZ 4.49Å; L617-F643 HydrophobicContact CD1-CD2 4.24Å; L617-F643 HydrophobicContact CD1-CE1 4.22Å; L617-F643 HydrophobicContact CD1-CE2 3.68Å; L617-F643 HydrophobicContact CD1-CZ 3.7Å; L617-F643 HydrophobicContact CD2-CE2 4.33Å; L617-F643 HydrophobicContact CG-CE2 4.05Å; L617-F643 HydrophobicContact CG-CZ 4.48Å
618	R	97.2	Very high	94.5	Very high	48 Å²	48	59.9 Å²	59.9	18%	0.181	29%	0.286	C	S	.	.	H	α-helix	trans	-69.8	-44.8	176.6	-70.7	-169.3	-67.1	-91.6	-0.4	112.7	F610 T613 S614 P615 V616 F620 L621 E622	F610-R618 HydrophobicContact CE2-CG 4.47Å; F610-R618 PolarHBondContact O-NH1 3.45Å; T613-R618 PolarHBondContact O-NH1 3.06Å; T613-R618 PolarHBondContact OG1-NH1 3.43Å; T613-R618 VanDerWaalsContact OG1-NH1 3.1Å; S614-R618 PolarHBondContact O-N 3.45Å; P615-R618 PolarHBondContact O-N 3.14Å; V616-R618 PolarHBondContact O-N 2.97Å; R618-F620 VanDerWaalsContact C-N 3.3Å; R618-F620 PolarHBondContact O-N 3.09Å; R618-L621 PolarHBondContact O-N 3.31Å; R618-E622 WeakPolarHBondContact O-CB 3.39Å; R618-E622 WeakPolarHBondContact O-CG 3.4Å; R618-E622 PolarHBondContact O-N 2.93Å
619	D	98	Very high	95	Very high	69 Å²	69	56.3 Å²	56.3	37%	0.369	27%	0.274	S	S	.	.	H	α-helix	trans	-60.3	-41.5	174.6	-167.3	75.9	0	0	0	111.5	P615 V616 L621 E622 R623 H641	P615-D619 PolarHBondContact O-N 3.42Å; V616-D619 PolarHBondContact O-N 3.04Å; D619-L621 PolarHBondContact O-N 3.01Å; D619-E622 PolarHBondContact O-N 3.41Å; D619-R623 WeakPolarHBondContact O-CG 3.47Å; D619-R623 PolarHBondContact O-N 2.88Å; D619-R623 IonicContact OD2-CZ 3.96Å; D619-R623 IonicContact OD2-NE 3.18Å; D619-R623 PolarHBondContact OD2-NE 3.45Å; D619-R623 IonicContact OD2-NH2 3.38Å; D619-R623 PolarHBondContact OD2-NH2 2.88Å; D619-H641 IonicContact OD2-CE1 2.69Å; D619-H641 IonicContact OD2-NE2 3.04Å; D619-H641 PolarHBondContact OD2-NE2 3.25Å
620	F	98.6	Very high	95.7	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.5	-48.5	175	-170.4	-127.4	0	0	0	112.3	C493 L497 V616 L617 R618 M624 L638 H641 F643 L644	C493-F620 HydrophobicContact CB-CE1 3.85Å; C493-F620 HydrophobicContact CB-CZ 4.01Å; L497-F620 HydrophobicContact CD1-CE2 4.16Å; L497-F620 HydrophobicContact CD1-CZ 3.75Å; V616-F620 WeakPolarHBondContact O-CB 3.39Å; V616-F620 PolarHBondContact O-N 3.49Å; L617-F620 HydrophobicContact CD1-CD1 4.46Å; R618-F620 VanDerWaalsContact C-N 3.3Å; R618-F620 PolarHBondContact O-N 3.09Å; F620-M624 HydrophobicContact CD1-CE 3.81Å; F620-M624 HydrophobicContact CD2-CE 4.15Å; F620-M624 HydrophobicContact CE1-CE 3.33Å; F620-M624 HydrophobicContact CE2-CE 3.74Å; F620-M624 HydrophobicContact CG-CE 4.22Å; F620-M624 HydrophobicContact CZ-CE 3.32Å; F620-M624 WeakPolarHBondContact O-CG 3.18Å; F620-M624 PolarHBondContact O-N 3.49Å; F620-L638 HydrophobicContact CD2-CD2 3.73Å; F620-L638 HydrophobicContact CE2-CB 4.08Å; F620-L638 HydrophobicContact CE2-CD2 3.75Å; F620-L638 HydrophobicContact CE2-CG 4.5Å; F620-H641 HydrophobicContact CD2-CB 3.77Å; F620-H641 AromaticContact CD2-CE1 3.99Å; F620-H641 AromaticContact CD2-CG 3.49Å; F620-H641 VanDerWaalsContact CD2-CG 3.49Å; F620-H641 AromaticContact CD2-ND1 3.29Å; F620-H641 VanDerWaalsContact CD2-ND1 3.29Å; F620-H641 WeakPolarHBondContact CD2-ND1 3.49Å; F620-H641 HydrophobicContact CE2-CB 3.9Å; F620-H641 AromaticContact CG-ND1 3.79Å; F620-H641 PolarHBondContact N-CE1 2.87Å; F620-F643 HydrophobicContact CB-CB 3.86Å; F620-F643 HydrophobicContact CB-CD1 4.42Å; F620-F643 HydrophobicContact CB-CG 4.12Å; F620-F643 HydrophobicContact CD1-CB 4.17Å; F620-F643 AromaticContact CD1-CD1 3.23Å; F620-F643 HydrophobicContact CD1-CD1 3.23Å; F620-F643 AromaticContact CD1-CE1 3.77Å; F620-F643 HydrophobicContact CD1-CE1 3.77Å; F620-F643 AromaticContact CD1-CG 3.8Å; F620-F643 HydrophobicContact CD1-CG 3.8Å; F620-F643 HydrophobicContact CD2-CB 4.11Å; F620-F643 HydrophobicContact CD2-CD1 4.36Å; F620-F643 AromaticContact CE1-CD1 3.29Å; F620-F643 HydrophobicContact CE1-CD1 3.29Å; F620-F643 AromaticContact CE1-CE1 3.68Å; F620-F643 HydrophobicContact CE1-CE1 3.68Å; F620-F643 HydrophobicContact CE1-CG 4.26Å; F620-F643 HydrophobicContact CE2-CD1 4.39Å; F620-F643 HydrophobicContact CG-CB 3.83Å; F620-F643 AromaticContact CG-CD1 3.8Å; F620-F643 HydrophobicContact CG-CD1 3.8Å; F620-F643 AromaticContact CG-CG 3.96Å; F620-F643 HydrophobicContact CG-CG 3.96Å; F620-F643 AromaticContact CZ-CD1 3.88Å; F620-F643 HydrophobicContact CZ-CD1 3.88Å; F620-L644 HydrophobicContact CE1-CD2 4.41Å; F620-L644 HydrophobicContact CE2-CD2 4.5Å; F620-L644 HydrophobicContact CE2-CG 4.35Å; F620-L644 HydrophobicContact CZ-CD1 4.44Å; F620-L644 HydrophobicContact CZ-CD2 3.87Å; F620-L644 HydrophobicContact CZ-CG 4.2Å
621	L	98.4	Very high	96.3	Very high	9 Å²	9	63.8 Å²	63.8	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-67.8	-38.9	178.8	-180	60.5	0	0	0	112.5	G574 V577 I578 L607 L617 R618 D619 R623 M624 L625	G574-L621 WeakPolarHBondContact O-CD1 3.44Å; V577-L621 HydrophobicContact CB-CD1 4.06Å; V577-L621 HydrophobicContact CG1-CD1 4.01Å; I578-L621 HydrophobicContact CG1-CD1 4.27Å; I578-L621 HydrophobicContact CG1-CD2 4.06Å; L607-L621 HydrophobicContact CD1-CD2 3.85Å; L607-L621 HydrophobicContact CD2-CD2 3.99Å; L607-L621 HydrophobicContact CG-CD2 3.64Å; L617-L621 WeakPolarHBondContact O-CB 3.42Å; L617-L621 PolarHBondContact O-N 3.04Å; R618-L621 PolarHBondContact O-N 3.31Å; D619-L621 PolarHBondContact O-N 3.01Å; L621-R623 VanDerWaalsContact C-N 3.34Å; L621-R623 PolarHBondContact O-N 3.45Å; L621-M624 PolarHBondContact O-N 2.85Å; L621-L625 HydrophobicContact CD1-CD1 3.58Å; L621-L625 HydrophobicContact CD1-CG 3.95Å; L621-L625 HydrophobicContact CG-CD1 3.96Å; L621-L625 PolarHBondContact O-N 3.04Å
622	E	97.9	Very high	97	Very high	104 Å²	104	57.6 Å²	57.6	49%	0.486	28%	0.284	S	S	.	.	H	α-helix	trans	-66.7	-35.2	179.3	-74.3	-177.8	175.7	0	0	111.5	R618 D619 M624 L625 T626	R618-E622 WeakPolarHBondContact O-CB 3.39Å; R618-E622 WeakPolarHBondContact O-CG 3.4Å; R618-E622 PolarHBondContact O-N 2.93Å; D619-E622 PolarHBondContact O-N 3.41Å; E622-M624 PolarHBondContact O-N 3.39Å; E622-L625 PolarHBondContact O-N 3.15Å; E622-T626 PolarHBondContact O-N 3.29Å; E622-T626 PolarHBondContact O-OG1 3.3Å
623	R	98.5	Very high	97.7	Very high	104 Å²	104	52.3 Å²	52.3	39%	0.392	27%	0.267	S	S	.	.	H	α-helix	trans	-64.6	-33.7	171	-69.5	176.4	-162.6	-139	8.2	113.9	D619 L621 T626 A633 L638 H641	D619-R623 WeakPolarHBondContact O-CG 3.47Å; D619-R623 PolarHBondContact O-N 2.88Å; D619-R623 IonicContact OD2-CZ 3.96Å; D619-R623 IonicContact OD2-NE 3.18Å; D619-R623 PolarHBondContact OD2-NE 3.45Å; D619-R623 IonicContact OD2-NH2 3.38Å; D619-R623 PolarHBondContact OD2-NH2 2.88Å; L621-R623 VanDerWaalsContact C-N 3.34Å; L621-R623 PolarHBondContact O-N 3.45Å; R623-T626 PolarHBondContact O-OG1 3.48Å; R623-A633 HydrophobicContact CB-CB 4.06Å; R623-A633 PolarHBondContact O-N 3.31Å; R623-L638 HydrophobicContact CB-CD2 4.16Å; R623-H641 VanDerWaalsContact CZ-CD2 3.46Å; R623-H641 PolarHBondContact NE-CD2 3.1Å; R623-H641 PolarHBondContact NE-NE2 2.89Å
624	M	98.8	Very high	98	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-75	-39.2	176.2	-67.3	179.5	-176.1	0	0	112.5	I570 L573 G574 V577 F620 L621 E622 T626 R632 L638	I570-M624 HydrophobicContact CG2-CB 4.1Å; I570-M624 HydrophobicContact CG2-CG 3.88Å; L573-M624 HydrophobicContact CB-SD 4.46Å; L573-M624 HydrophobicContact CD2-CE 3.73Å; L573-M624 HydrophobicContact CD2-SD 4.24Å; L573-M624 HydrophobicContact CG-CE 4.01Å; L573-M624 HydrophobicContact CG-SD 3.96Å; G574-M624 VanDerWaalsContact CA-SD 3.58Å; V577-M624 HydrophobicContact CG2-SD 4.23Å; F620-M624 HydrophobicContact CD1-CE 3.81Å; F620-M624 HydrophobicContact CD2-CE 4.15Å; F620-M624 HydrophobicContact CE1-CE 3.33Å; F620-M624 HydrophobicContact CE2-CE 3.74Å; F620-M624 HydrophobicContact CG-CE 4.22Å; F620-M624 HydrophobicContact CZ-CE 3.32Å; F620-M624 WeakPolarHBondContact O-CG 3.18Å; F620-M624 PolarHBondContact O-N 3.49Å; L621-M624 PolarHBondContact O-N 2.85Å; E622-M624 PolarHBondContact O-N 3.39Å; M624-T626 VanDerWaalsContact C-N 3.31Å; M624-T626 PolarHBondContact O-N 2.99Å; M624-R632 VanDerWaalsContact O-CD 3.27Å; M624-R632 WeakPolarHBondContact O-CD 3.34Å; M624-R632 WeakPolarHBondContact O-CG 3.48Å; M624-L638 HydrophobicContact CE-CD1 4.1Å; M624-L638 HydrophobicContact CE-CD2 4.27Å; M624-L638 HydrophobicContact CG-CD1 3.83Å; M624-L638 HydrophobicContact CG-CD2 4.2Å
625	L	98.5	Very high	98.1	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.031	27%	0.273	C	S	.	.	S	Bend	trans	-93.4	21.4	-176	-62.1	-179.6	0	0	0	113.7	W571 I575 I578 P604 P605 L621 E622 R627	W571-L625 HydrophobicContact CD2-CD2 3.86Å; W571-L625 HydrophobicContact CE3-CD2 4.05Å; W571-L625 HydrophobicContact CG-CD2 4.28Å; W571-L625 HydrophobicContact CZ2-CD2 4.34Å; W571-L625 HydrophobicContact CZ3-CB 4.35Å; W571-L625 HydrophobicContact CZ3-CD2 4.38Å; W571-L625 VanDerWaalsContact CZ3-O 3.27Å; W571-L625 WeakPolarHBondContact CZ3-O 3.26Å; I575-L625 HydrophobicContact CD1-CD2 3.91Å; I575-L625 HydrophobicContact CG1-CD2 4.29Å; I578-L625 HydrophobicContact CD1-CD1 3.77Å; I578-L625 HydrophobicContact CG1-CD1 4.48Å; P604-L625 HydrophobicContact CB-CB 4.28Å; P604-L625 WeakPolarHBondContact CG-O 3.46Å; P605-L625 HydrophobicContact CG-CD1 4.14Å; L621-L625 HydrophobicContact CD1-CD1 3.58Å; L621-L625 HydrophobicContact CD1-CG 3.95Å; L621-L625 HydrophobicContact CG-CD1 3.96Å; L621-L625 PolarHBondContact O-N 3.04Å; E622-L625 PolarHBondContact O-N 3.15Å; L625-R627 PolarHBondContact O-N 2.95Å
626	T	98.4	Very high	98.2	Very high	40 Å²	40	54 Å²	54	25%	0.245	27%	0.268	C	S	.	.			trans	-60.9	127.7	166.1	-62.6	0	0	0	0	110.5	E622 R623 M624 E631 R632	E622-T626 PolarHBondContact O-N 3.29Å; E622-T626 PolarHBondContact O-OG1 3.3Å; R623-T626 PolarHBondContact O-OG1 3.48Å; M624-T626 VanDerWaalsContact C-N 3.31Å; M624-T626 PolarHBondContact O-N 2.99Å; T626-E631 HydrophobicContact CG2-CB 3.82Å; T626-R632 HydrophobicContact CG2-CB 4.41Å; T626-R632 PolarHBondContact O-NE 2.69Å; T626-R632 PolarHBondContact O-NH2 3.27Å; T626-R632 VanDerWaalsContact O-NH2 3.13Å
627	R	96.7	Very high	98.2	Very high	90 Å²	90	56.4 Å²	56.4	34%	0.34	28%	0.275	S	S	.	.	S	Bend	trans	-73	-27.3	-176.6	-70.8	-166.4	56	90.5	14.6	114.4	W571 L599 R600 S602 P604 L625 P629	W571-R627 HydrophobicContact CH2-CG 4.48Å; W571-R627 HydrophobicContact CZ3-CG 4.28Å; L599-R627 PolarHBondContact O-NH1 3.24Å; R600-R627 PolarHBondContact O-NH1 2.81Å; R600-R627 PolarHBondContact O-NH2 3.34Å; S602-R627 PolarHBondContact O-NH1 2.87Å; P604-R627 HydrophobicContact CG-CG 3.78Å; L625-R627 PolarHBondContact O-N 2.95Å; R627-P629 WeakPolarHBondContact O-CD 3.49Å
628	D	97.8	Very high	98.2	Very high	80 Å²	80	56.4 Å²	56.4	43%	0.428	28%	0.275	S	S	.	.	S	Bend	trans	-85.3	122.2	176.6	-161.7	-50.7	0	0	0	109.8	L630 E631 R632	D628-L630 PolarHBondContact O-N 3.42Å; D628-L630 VanDerWaalsContact O-N 3.13Å; D628-L630 WeakPolarHBondContact OD1-CB 3.44Å; D628-L630 PolarHBondContact OD1-N 2.7Å; D628-E631 HydrophobicContact CB-CB 4.22Å; D628-E631 HydrophobicContact CB-CG 4.13Å; D628-E631 PolarHBondContact O-N 3.17Å; D628-R632 PolarHBondContact O-N 2.72Å
629	P	97.8	Very high	98.3	Very high	32 Å²	32	56.1 Å²	56.1	21%	0.208	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-29.9	171.6	-36	41.7	0	0	0	116.4	E557 E567 R627	E557-P629 HydrophobicContact CB-CG 4.24Å; E557-P629 HydrophobicContact CG-CG 4.04Å; E567-P629 HydrophobicContact CB-CB 4.5Å; E567-P629 HydrophobicContact CG-CB 3.87Å; E567-P629 HydrophobicContact CG-CG 4.49Å; R627-P629 WeakPolarHBondContact O-CD 3.49Å
630	L	97.2	Very high	98.3	Very high	142 Å²	142	58.8 Å²	58.8	74%	0.743	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-23.1	-173.1	-58	178.5	0	0	0	113.3	D628	D628-L630 PolarHBondContact O-N 3.42Å; D628-L630 VanDerWaalsContact O-N 3.13Å; D628-L630 WeakPolarHBondContact OD1-CB 3.44Å; D628-L630 PolarHBondContact OD1-N 2.7Å
631	E	98.1	Very high	98.3	Very high	153 Å²	153	59 Å²	59	72%	0.715	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-1.9	178.4	-54.6	-70.7	141	0	0	111.8	T626 D628	T626-E631 HydrophobicContact CG2-CB 3.82Å; D628-E631 HydrophobicContact CB-CB 4.22Å; D628-E631 HydrophobicContact CB-CG 4.13Å; D628-E631 PolarHBondContact O-N 3.17Å
632	R	98.7	Very high	98.3	Very high	11 Å²	11	62.1 Å²	62.1	4%	0.042	31%	0.313	C	S	.	.	S	Bend	trans	-80.9	129.9	174.9	-169.1	-175	-57.7	146.5	7.6	109.2	E557 E567 I570 M624 T626 D628	E557-R632 IonicContact OE1-CZ 3.56Å; E557-R632 IonicContact OE1-NH1 2.88Å; E557-R632 PolarHBondContact OE1-NH1 2.93Å; E557-R632 IonicContact OE1-NH2 3.41Å; E557-R632 PolarHBondContact OE1-NH2 3.09Å; E557-R632 IonicContact OE2-CZ 3.45Å; E557-R632 IonicContact OE2-NH1 3.39Å; E557-R632 IonicContact OE2-NH2 2.7Å; E557-R632 PolarHBondContact OE2-NH2 3.22Å; E567-R632 VanDerWaalsContact C-NH1 3.33Å; E567-R632 WeakPolarHBondContact O-CD 3.3Å; E567-R632 PolarHBondContact O-NH1 3.02Å; I570-R632 HydrophobicContact CG2-CG 4.32Å; M624-R632 VanDerWaalsContact O-CD 3.27Å; M624-R632 WeakPolarHBondContact O-CD 3.34Å; M624-R632 WeakPolarHBondContact O-CG 3.48Å; T626-R632 HydrophobicContact CG2-CB 4.41Å; T626-R632 PolarHBondContact O-NE 2.69Å; T626-R632 PolarHBondContact O-NH2 3.27Å; T626-R632 VanDerWaalsContact O-NH2 3.13Å; D628-R632 PolarHBondContact O-N 2.72Å
633	A	98.8	Very high	98.4	Very high	14 Å²	14	57.2 Å²	57.2	12%	0.116	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-60.8	143.4	-178.4	0	0	0	0	0	111.7	I570 R623 E637 L638	I570-A633 WeakPolarHBondContact CG2-O 3.34Å; R623-A633 HydrophobicContact CB-CB 4.06Å; R623-A633 PolarHBondContact O-N 3.31Å; A633-E637 HydrophobicContact CB-CB 4.37Å; A633-L638 HydrophobicContact CB-CD1 4.18Å; A633-L638 HydrophobicContact CB-CD2 4.03Å; A633-L638 HydrophobicContact CB-CG 3.81Å
634	T	98.9	Very high	98.4	Very high	69 Å²	69	52.8 Å²	52.8	42%	0.423	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-76.1	166.6	173.4	61.9	0	0	0	0	111.8	Q636 E637 L638	T634-Q636 PolarHBondContact O-N 3.36Å; T634-E637 VanDerWaalsContact CB-OE2 3.3Å; T634-E637 WeakPolarHBondContact CB-OE2 3.31Å; T634-E637 WeakPolarHBondContact CG2-OE2 3.37Å; T634-E637 PolarHBondContact N-OE2 3.49Å; T634-E637 PolarHBondContact O-N 2.59Å; T634-E637 WeakPolarHBondContact OG1-CG 3.44Å; T634-E637 PolarHBondContact OG1-N 2.73Å; T634-E637 PolarHBondContact OG1-OE2 3.38Å; T634-L638 WeakPolarHBondContact O-CG 3.17Å; T634-L638 PolarHBondContact O-N 3.29Å; T634-L638 VanDerWaalsContact O-N 3.13Å
635	A	98.8	Very high	98.3	Very high	2 Å²	2	60.2 Å²	60.2	2%	0.017	31%	0.313	C	S	.	.	H	α-helix	trans	-55.2	-38.5	173.5	0	0	0	0	0	112.3	L497 L500 A501 I570 L638 L639	L497-A635 HydrophobicContact CD2-CB 4.15Å; L500-A635 HydrophobicContact CB-CB 4.05Å; A501-A635 HydrophobicContact CB-CB 3.88Å; I570-A635 HydrophobicContact CD1-CB 3.9Å; A635-L638 PolarHBondContact O-N 3.46Å; A635-L639 WeakPolarHBondContact O-CG 3.37Å; A635-L639 PolarHBondContact O-N 2.79Å; A635-L639 VanDerWaalsContact O-N 3.11Å
636	Q	98.4	Very high	98.3	Very high	104 Å²	104	63.7 Å²	63.7	49%	0.486	33%	0.329	S	S	.	.	H	α-helix	trans	-68.1	-47.2	179.6	-177.2	57	63.1	0	0	112.2	T634 L638 L639 D640	T634-Q636 PolarHBondContact O-N 3.36Å; Q636-L638 PolarHBondContact O-N 3.27Å; Q636-L639 WeakPolarHBondContact O-CB 3.48Å; Q636-L639 PolarHBondContact O-N 2.85Å; Q636-D640 PolarHBondContact NE2-OD2 3.35Å; Q636-D640 VanDerWaalsContact NE2-OD2 3.17Å; Q636-D640 PolarHBondContact O-N 3.29Å
637	E	98.6	Very high	98.2	Very high	108 Å²	108	63.8 Å²	63.8	51%	0.505	33%	0.33	S	S	.	.	H	α-helix	trans	-66	-22.3	178.8	-67.1	160.1	126.4	0	0	112.9	A633 T634	A633-E637 HydrophobicContact CB-CB 4.37Å; T634-E637 VanDerWaalsContact CB-OE2 3.3Å; T634-E637 WeakPolarHBondContact CB-OE2 3.31Å; T634-E637 WeakPolarHBondContact CG2-OE2 3.37Å; T634-E637 PolarHBondContact N-OE2 3.49Å; T634-E637 PolarHBondContact O-N 2.59Å; T634-E637 WeakPolarHBondContact OG1-CG 3.44Å; T634-E637 PolarHBondContact OG1-N 2.73Å; T634-E637 PolarHBondContact OG1-OE2 3.38Å
638	L	98.8	Very high	98.2	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-82.5	-26.1	173.2	-70.8	166	0	0	0	112.8	L497 I570 F620 R623 M624 A633 T634 A635 Q636 D640 H641 L644	L497-L638 HydrophobicContact CD1-CB 3.76Å; L497-L638 HydrophobicContact CD2-CB 3.81Å; L497-L638 HydrophobicContact CD2-CD1 4.09Å; L497-L638 HydrophobicContact CG-CB 4.46Å; I570-L638 HydrophobicContact CD1-CD1 4.38Å; I570-L638 HydrophobicContact CG2-CD1 3.4Å; F620-L638 HydrophobicContact CD2-CD2 3.73Å; F620-L638 HydrophobicContact CE2-CB 4.08Å; F620-L638 HydrophobicContact CE2-CD2 3.75Å; F620-L638 HydrophobicContact CE2-CG 4.5Å; R623-L638 HydrophobicContact CB-CD2 4.16Å; M624-L638 HydrophobicContact CE-CD1 4.1Å; M624-L638 HydrophobicContact CE-CD2 4.27Å; M624-L638 HydrophobicContact CG-CD1 3.83Å; M624-L638 HydrophobicContact CG-CD2 4.2Å; A633-L638 HydrophobicContact CB-CD1 4.18Å; A633-L638 HydrophobicContact CB-CD2 4.03Å; A633-L638 HydrophobicContact CB-CG 3.81Å; T634-L638 WeakPolarHBondContact O-CG 3.17Å; T634-L638 PolarHBondContact O-N 3.29Å; T634-L638 VanDerWaalsContact O-N 3.13Å; A635-L638 PolarHBondContact O-N 3.46Å; Q636-L638 PolarHBondContact O-N 3.27Å; L638-D640 VanDerWaalsContact C-N 3.29Å; L638-H641 WeakPolarHBondContact O-CB 3.27Å; L638-H641 PolarHBondContact O-N 2.93Å; L638-L644 VanDerWaalsContact O-CD1 3.26Å; L638-L644 WeakPolarHBondContact O-CD1 3.21Å
639	L	98.7	Very high	98.2	Very high	42 Å²	42	62.6 Å²	62.6	22%	0.22	33%	0.332	C	S	.	.	H	α-helix	trans	-65.7	-34.3	169.2	-72.7	171	0	0	0	111.8	E494 L497 Q498 A501 A635 Q636 H641 L644	E494-L639 HydrophobicContact CG-CD2 4.2Å; L497-L639 HydrophobicContact CB-CD2 3.55Å; L497-L639 HydrophobicContact CB-CG 3.93Å; Q498-L639 HydrophobicContact CG-CD1 4.47Å; Q498-L639 HydrophobicContact CG-CD2 3.86Å; A501-L639 HydrophobicContact CB-CD1 3.93Å; A635-L639 WeakPolarHBondContact O-CG 3.37Å; A635-L639 PolarHBondContact O-N 2.79Å; A635-L639 VanDerWaalsContact O-N 3.11Å; Q636-L639 WeakPolarHBondContact O-CB 3.48Å; Q636-L639 PolarHBondContact O-N 2.85Å; L639-H641 PolarHBondContact O-N 3.25Å; L639-L644 HydrophobicContact CD2-CD1 4.31Å
640	D	98.4	Very high	98.1	Very high	124 Å²	124	63.1 Å²	63.1	66%	0.663	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	7.6	175.5	-65.1	-62.1	0	0	0	113.5	Q636 L638	Q636-D640 PolarHBondContact NE2-OD2 3.35Å; Q636-D640 VanDerWaalsContact NE2-OD2 3.17Å; Q636-D640 PolarHBondContact O-N 3.29Å; L638-D640 VanDerWaalsContact C-N 3.29Å
641	H	98.8	Very high	98.1	Very high	5 Å²	5	62 Å²	62	2%	0.023	33%	0.326	C	S	.	.	S	Bend	trans	-80.4	136.7	-174.6	-166.7	-96.9	0	0	0	113.4	D619 F620 R623 L638 L639 F643 L644	D619-H641 IonicContact OD2-CE1 2.69Å; D619-H641 IonicContact OD2-NE2 3.04Å; D619-H641 PolarHBondContact OD2-NE2 3.25Å; F620-H641 HydrophobicContact CD2-CB 3.77Å; F620-H641 AromaticContact CD2-CE1 3.99Å; F620-H641 AromaticContact CD2-CG 3.49Å; F620-H641 VanDerWaalsContact CD2-CG 3.49Å; F620-H641 AromaticContact CD2-ND1 3.29Å; F620-H641 VanDerWaalsContact CD2-ND1 3.29Å; F620-H641 WeakPolarHBondContact CD2-ND1 3.49Å; F620-H641 HydrophobicContact CE2-CB 3.9Å; F620-H641 AromaticContact CG-ND1 3.79Å; F620-H641 PolarHBondContact N-CE1 2.87Å; R623-H641 VanDerWaalsContact CZ-CD2 3.46Å; R623-H641 PolarHBondContact NE-CD2 3.1Å; R623-H641 PolarHBondContact NE-NE2 2.89Å; L638-H641 WeakPolarHBondContact O-CB 3.27Å; L638-H641 PolarHBondContact O-N 2.93Å; L639-H641 PolarHBondContact O-N 3.25Å; H641-F643 VanDerWaalsContact ND1-CB 3.29Å; H641-F643 WeakPolarHBondContact ND1-CB 3.47Å; H641-F643 PolarHBondContact ND1-N 2.86Å; H641-F643 VanDerWaalsContact ND1-N 3.15Å; H641-F643 PolarHBondContact O-N 2.72Å; H641-L644 PolarHBondContact O-N 3.02Å
642	P	98.6	Very high	98.1	Very high	75 Å²	75	55.7 Å²	55.7	49%	0.487	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-55.9	-19	179.9	-29.2	36.5	0	0	0	116.4	V616 L644 L645	V616-P642 HydrophobicContact CG1-CB 4.08Å; P642-L644 VanDerWaalsContact C-N 3.29Å; P642-L644 PolarHBondContact O-N 3.49Å; P642-L645 HydrophobicContact CB-CD1 4.3Å; P642-L645 WeakPolarHBondContact O-CB 3.23Å; P642-L645 PolarHBondContact O-N 3.25Å
643	F	98.7	Very high	98	Very high	1 Å²	1	55.3 Å²	55.3	0%	0.004	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-63.6	-31.8	174	178.3	-105.6	0	0	0	112.8	E486 I489 A490 V616 L617 F620 H641 L645 Q646	E486-F643 HydrophobicContact CB-CE2 4.15Å; E486-F643 WeakPolarHBondContact O-CZ 3.49Å; I489-F643 HydrophobicContact CB-CZ 4.18Å; I489-F643 HydrophobicContact CG2-CE1 4.07Å; I489-F643 HydrophobicContact CG2-CZ 3.78Å; A490-F643 HydrophobicContact CB-CD1 4.31Å; A490-F643 HydrophobicContact CB-CE1 3.77Å; A490-F643 HydrophobicContact CB-CZ 4.03Å; V616-F643 HydrophobicContact CG1-CB 3.99Å; L617-F643 HydrophobicContact CB-CD2 3.81Å; L617-F643 HydrophobicContact CB-CE2 3.61Å; L617-F643 HydrophobicContact CB-CZ 4.49Å; L617-F643 HydrophobicContact CD1-CD2 4.24Å; L617-F643 HydrophobicContact CD1-CE1 4.22Å; L617-F643 HydrophobicContact CD1-CE2 3.68Å; L617-F643 HydrophobicContact CD1-CZ 3.7Å; L617-F643 HydrophobicContact CD2-CE2 4.33Å; L617-F643 HydrophobicContact CG-CE2 4.05Å; L617-F643 HydrophobicContact CG-CZ 4.48Å; F620-F643 HydrophobicContact CB-CB 3.86Å; F620-F643 HydrophobicContact CB-CD1 4.42Å; F620-F643 HydrophobicContact CB-CG 4.12Å; F620-F643 HydrophobicContact CD1-CB 4.17Å; F620-F643 AromaticContact CD1-CD1 3.23Å; F620-F643 HydrophobicContact CD1-CD1 3.23Å; F620-F643 AromaticContact CD1-CE1 3.77Å; F620-F643 HydrophobicContact CD1-CE1 3.77Å; F620-F643 AromaticContact CD1-CG 3.8Å; F620-F643 HydrophobicContact CD1-CG 3.8Å; F620-F643 HydrophobicContact CD2-CB 4.11Å; F620-F643 HydrophobicContact CD2-CD1 4.36Å; F620-F643 AromaticContact CE1-CD1 3.29Å; F620-F643 HydrophobicContact CE1-CD1 3.29Å; F620-F643 AromaticContact CE1-CE1 3.68Å; F620-F643 HydrophobicContact CE1-CE1 3.68Å; F620-F643 HydrophobicContact CE1-CG 4.26Å; F620-F643 HydrophobicContact CE2-CD1 4.39Å; F620-F643 HydrophobicContact CG-CB 3.83Å; F620-F643 AromaticContact CG-CD1 3.8Å; F620-F643 HydrophobicContact CG-CD1 3.8Å; F620-F643 AromaticContact CG-CG 3.96Å; F620-F643 HydrophobicContact CG-CG 3.96Å; F620-F643 AromaticContact CZ-CD1 3.88Å; F620-F643 HydrophobicContact CZ-CD1 3.88Å; H641-F643 VanDerWaalsContact ND1-CB 3.29Å; H641-F643 WeakPolarHBondContact ND1-CB 3.47Å; H641-F643 PolarHBondContact ND1-N 2.86Å; H641-F643 VanDerWaalsContact ND1-N 3.15Å; H641-F643 PolarHBondContact O-N 2.72Å; F643-L645 VanDerWaalsContact C-N 3.28Å; F643-L645 PolarHBondContact O-N 3.05Å; F643-Q646 VanDerWaalsContact CD2-NE2 3.3Å; F643-Q646 WeakPolarHBondContact O-CG 3.19Å
644	L	98.5	Very high	97.9	Very high	11 Å²	11	55.8 Å²	55.8	6%	0.058	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-83	-4	-179.1	-56.8	-177.6	0	0	0	113.1	A490 C493 E494 L497 F620 L638 L639 H641 P642 Q646 T647	A490-L644 HydrophobicContact CB-CD2 4.09Å; C493-L644 HydrophobicContact CB-CD2 4.1Å; E494-L644 HydrophobicContact CB-CD1 4.14Å; E494-L644 HydrophobicContact CB-CD2 4.16Å; E494-L644 HydrophobicContact CG-CD1 4.29Å; L497-L644 HydrophobicContact CD1-CD1 4Å; F620-L644 HydrophobicContact CE1-CD2 4.41Å; F620-L644 HydrophobicContact CE2-CD2 4.5Å; F620-L644 HydrophobicContact CE2-CG 4.35Å; F620-L644 HydrophobicContact CZ-CD1 4.44Å; F620-L644 HydrophobicContact CZ-CD2 3.87Å; F620-L644 HydrophobicContact CZ-CG 4.2Å; L638-L644 VanDerWaalsContact O-CD1 3.26Å; L638-L644 WeakPolarHBondContact O-CD1 3.21Å; L639-L644 HydrophobicContact CD2-CD1 4.31Å; H641-L644 PolarHBondContact O-N 3.02Å; P642-L644 VanDerWaalsContact C-N 3.29Å; P642-L644 PolarHBondContact O-N 3.49Å; L644-Q646 PolarHBondContact O-N 2.73Å; L644-Q646 VanDerWaalsContact O-N 3.1Å; L644-T647 WeakPolarHBondContact O-CB 3.48Å; L644-T647 PolarHBondContact O-N 2.94Å; L644-T647 PolarHBondContact O-OG1 3.5Å; L644-T647 VanDerWaalsContact O-OG1 3.07Å
645	L	97.6	Very high	97.8	Very high	156 Å²	156	56.1 Å²	56.1	82%	0.817	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-66.8	-8	170.9	-60.7	176.2	0	0	0	113.3	P642 F643	P642-L645 HydrophobicContact CB-CD1 4.3Å; P642-L645 WeakPolarHBondContact O-CB 3.23Å; P642-L645 PolarHBondContact O-N 3.25Å; F643-L645 VanDerWaalsContact C-N 3.28Å; F643-L645 PolarHBondContact O-N 3.05Å
646	Q	97.4	Very high	97.6	Very high	78 Å²	78	56.6 Å²	56.6	36%	0.364	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-108.9	15.5	171.6	79	-165.5	-25.7	0	0	113.5	E487 A490 F643 L644 G648	E487-Q646 WeakPolarHBondContact CA-O 3.3Å; A490-Q646 HydrophobicContact CB-CG 4.04Å; F643-Q646 VanDerWaalsContact CD2-NE2 3.3Å; F643-Q646 WeakPolarHBondContact O-CG 3.19Å; L644-Q646 PolarHBondContact O-N 2.73Å; L644-Q646 VanDerWaalsContact O-N 3.1Å; Q646-G648 PolarHBondContact O-N 3.02Å; Q646-G648 VanDerWaalsContact O-N 3.15Å
647	T	97.9	Very high	97.4	Very high	43 Å²	43	51.7 Å²	51.7	26%	0.264	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-54.8	118.8	170.6	-70.3	0	0	0	0	110.2	E494 L644	E494-T647 WeakPolarHBondContact OE1-CB 3.44Å; E494-T647 WeakPolarHBondContact OE1-CG2 3.41Å; E494-T647 PolarHBondContact OE1-OG1 3.32Å; L644-T647 WeakPolarHBondContact O-CB 3.48Å; L644-T647 PolarHBondContact O-N 2.94Å; L644-T647 PolarHBondContact O-OG1 3.5Å; L644-T647 VanDerWaalsContact O-OG1 3.07Å
648	G	95.8	Very high	97.1	Very high	10 Å²	10	51.4 Å²	51.4	10%	0.103	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-79.6	159.2	169.2	0	0	0	0	0	111.6	T491 Q646	T491-G648 WeakPolarHBondContact CG2-O 3.3Å; T491-G648 WeakPolarHBondContact OG1-CA 3.09Å; T491-G648 PolarHBondContact OG1-N 2.79Å; T491-G648 PolarHBondContact OG1-O 2.81Å; Q646-G648 PolarHBondContact O-N 3.02Å; Q646-G648 VanDerWaalsContact O-N 3.15Å
649	L	97.1	Very high	96.6	Very high	135 Å²	135	55.6 Å²	55.6	71%	0.707	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-61.9	157	169	-58.2	175.9	0	0	0	110.5	E651 C652	L649-E651 WeakPolarHBondContact CB-OE2 3.42Å; L649-E651 PolarHBondContact O-N 3.17Å; L649-C652 WeakPolarHBondContact O-CB 3.24Å; L649-C652 PolarHBondContact O-N 3.21Å; L649-C652 PolarHBondContact O-SG 3.07Å
650	P	96.4	Very high	96.1	Very high	43 Å²	43	54.6 Å²	54.6	28%	0.279	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-49	-31.7	-178.7	-30.4	37.7	0	0	0	114.7	D523 R525 C652 L653	D523-P650 WeakPolarHBondContact O-CB 3.4Å; R525-P650 HydrophobicContact CG-CB 4.13Å; R525-P650 HydrophobicContact CG-CG 4.08Å; P650-C652 PolarHBondContact O-N 3.05Å; P650-C652 VanDerWaalsContact O-N 3.1Å; P650-L653 PolarHBondContact O-N 2.94Å
651	E	96.9	Very high	95.4	Very high	118 Å²	118	53.8 Å²	53.8	55%	0.551	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-55.9	-25	176	-66.2	79.6	-178.3	0	0	113.7	L649 L653 V654 P655	L649-E651 WeakPolarHBondContact CB-OE2 3.42Å; L649-E651 PolarHBondContact O-N 3.17Å; E651-L653 PolarHBondContact O-N 3.2Å; E651-V654 WeakPolarHBondContact O-CB 3.38Å; E651-V654 PolarHBondContact O-N 3.46Å; E651-P655 WeakPolarHBondContact O-CD 3.25Å
652	C	97.6	Very high	94.7	Very high	21 Å²	21	60.2 Å²	60.2	14%	0.142	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-65.8	-21.6	176.3	76.7	0	0	0	0	113.2	E487 Q488 T491 L649 P650	E487-C652 HydrophobicContact CG-CB 4.43Å; Q488-C652 HydrophobicContact CG-CB 4.44Å; Q488-C652 PolarHBondContact NE2-O 3.44Å; T491-C652 PolarHBondContact OG1-SG 2.84Å; L649-C652 WeakPolarHBondContact O-CB 3.24Å; L649-C652 PolarHBondContact O-N 3.21Å; L649-C652 PolarHBondContact O-SG 3.07Å; P650-C652 PolarHBondContact O-N 3.05Å; P650-C652 VanDerWaalsContact O-N 3.1Å
653	L	97.7	Very high	93.8	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.01	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-22	176.9	-63.8	172.8	0	0	0	112.6	Q488 T491 V492 L520 G524 V526 P650 E651 L656 I657	Q488-L653 HydrophobicContact CB-CD2 3.7Å; Q488-L653 HydrophobicContact CG-CD2 3.91Å; T491-L653 HydrophobicContact CG2-CD1 3.91Å; T491-L653 HydrophobicContact CG2-CG 4.44Å; V492-L653 HydrophobicContact CG2-CD1 3.94Å; V492-L653 HydrophobicContact CG2-CD2 4.07Å; L520-L653 HydrophobicContact CD2-CD1 4.47Å; G524-L653 WeakPolarHBondContact O-CD1 3.31Å; V526-L653 HydrophobicContact CG2-CD1 3.51Å; P650-L653 PolarHBondContact O-N 2.94Å; E651-L653 PolarHBondContact O-N 3.2Å; L653-L656 HydrophobicContact CD2-CD1 3.75Å; L653-L656 VanDerWaalsContact O-CB 3.3Å; L653-L656 WeakPolarHBondContact O-CB 3.22Å; L653-L656 PolarHBondContact O-N 3.27Å; L653-I657 PolarHBondContact O-N 3.37Å
654	V	97.3	Very high	92.6	Very high	25 Å²	25	64.1 Å²	64.1	15%	0.152	32%	0.32	C	S	.	.	H	α-helix	trans	-57.7	-40.8	-178	177.1	0	0	0	0	113.4	L522 D523 E651 L656 I657 Q658	L522-V654 WeakPolarHBondContact O-CG2 3.39Å; D523-V654 VanDerWaalsContact C-CG2 3.44Å; E651-V654 WeakPolarHBondContact O-CB 3.38Å; E651-V654 PolarHBondContact O-N 3.46Å; V654-L656 VanDerWaalsContact C-N 3.26Å; V654-L656 PolarHBondContact O-N 2.95Å; V654-I657 PolarHBondContact O-N 3.32Å; V654-Q658 HydrophobicContact CG1-CG 4.22Å; V654-Q658 WeakPolarHBondContact O-CG 3.34Å; V654-Q658 PolarHBondContact O-N 3.17Å
655	P	96.1	Very high	91	Very high	76 Å²	76	68.4 Å²	68.4	49%	0.494	35%	0.351	S	S	.	.	H	α-helix	trans	-57.7	-35.1	173.9	-27.6	35.8	0	0	0	114	E651 Q659	E651-P655 WeakPolarHBondContact O-CD 3.25Å; P655-Q659 VanDerWaalsContact O-CB 3.25Å; P655-Q659 WeakPolarHBondContact O-CB 3.42Å; P655-Q659 PolarHBondContact O-N 3.07Å
656	L	94.5	Very high	88.7	Confident	11 Å²	11	66.5 Å²	66.5	6%	0.058	35%	0.346	C	S	.	.	H	α-helix	trans	-66.6	-47.5	177.9	-52.8	173.6	0	0	0	110.5	I478 I482 L484 Q488 L653 V654 Q658 Q659 Y660	I478-L656 HydrophobicContact CD1-CB 4.14Å; I478-L656 HydrophobicContact CG2-CB 3.85Å; I478-L656 HydrophobicContact CG2-CD1 4.29Å; I482-L656 HydrophobicContact CG2-CD2 3.65Å; L484-L656 HydrophobicContact CD1-CD1 4.07Å; L484-L656 HydrophobicContact CG-CD1 3.82Å; Q488-L656 HydrophobicContact CB-CD1 4.48Å; Q488-L656 HydrophobicContact CG-CD1 4.28Å; L653-L656 HydrophobicContact CD2-CD1 3.75Å; L653-L656 VanDerWaalsContact O-CB 3.3Å; L653-L656 WeakPolarHBondContact O-CB 3.22Å; L653-L656 PolarHBondContact O-N 3.27Å; V654-L656 VanDerWaalsContact C-N 3.26Å; V654-L656 PolarHBondContact O-N 2.95Å; L656-Q658 PolarHBondContact O-N 3.05Å; L656-Q659 PolarHBondContact O-N 3.07Å; L656-Y660 WeakPolarHBondContact O-CB 3.39Å; L656-Y660 PolarHBondContact O-N 3.37Å
657	I	93.6	Very high	85.8	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-61.3	-45.3	178.5	-59.4	170.1	0	0	0	110	I478 L520 T521 L522 L653 V654 R661	I478-I657 HydrophobicContact CD1-CG1 3.85Å; L520-I657 HydrophobicContact CB-CD1 3.96Å; L520-I657 HydrophobicContact CD1-CD1 4.12Å; L520-I657 HydrophobicContact CD1-CG1 4.04Å; T521-I657 WeakPolarHBondContact O-CD1 3.2Å; L522-I657 HydrophobicContact CD2-CG2 4.34Å; L653-I657 PolarHBondContact O-N 3.37Å; V654-I657 PolarHBondContact O-N 3.32Å; I657-R661 WeakPolarHBondContact O-CB 3.48Å; I657-R661 VanDerWaalsContact O-CG 3.31Å; I657-R661 WeakPolarHBondContact O-CG 3.49Å; I657-R661 PolarHBondContact O-N 2.77Å
658	Q	92.6	Very high	85.2	Confident	102 Å²	102	72.5 Å²	72.5	48%	0.477	39%	0.391	S	S	.	.	H	α-helix	trans	-64.1	-41.6	176	-70.3	-174.1	18.2	0	0	112.5	V654 L656 K662	V654-Q658 HydrophobicContact CG1-CG 4.22Å; V654-Q658 WeakPolarHBondContact O-CG 3.34Å; V654-Q658 PolarHBondContact O-N 3.17Å; L656-Q658 PolarHBondContact O-N 3.05Å; Q658-K662 WeakPolarHBondContact O-CB 3.31Å; Q658-K662 VanDerWaalsContact O-CG 3.22Å; Q658-K662 WeakPolarHBondContact O-CG 3.2Å; Q658-K662 PolarHBondContact O-N 2.72Å
659	Q	89.2	Confident	84.7	Confident	87 Å²	87	75.8 Å²	75.8	41%	0.407	41%	0.406	S	S	.	.	H	α-helix	trans	-67.4	-41.7	179.2	-175.9	178.4	47.6	0	0	111.7	I482 P655 L656 R663	I482-Q659 HydrophobicContact CD1-CB 3.91Å; I482-Q659 HydrophobicContact CD1-CG 3.92Å; P655-Q659 VanDerWaalsContact O-CB 3.25Å; P655-Q659 WeakPolarHBondContact O-CB 3.42Å; P655-Q659 PolarHBondContact O-N 3.07Å; L656-Q659 PolarHBondContact O-N 3.07Å; Q659-R663 WeakPolarHBondContact O-CG 3.37Å; Q659-R663 PolarHBondContact O-N 2.96Å
660	Y	86.6	Confident	84	Confident	21 Å²	21	72.5 Å²	72.5	8%	0.082	39%	0.389	C	S	.	.	H	α-helix	trans	-60.2	-54.3	172.8	167.1	-124.3	0	0	0	110.9	R101 D477 I478 Q481 L656 K662 R663 T664	R101-Y660 PolarHBondContact NH2-OH 3.48Å; D477-Y660 HydrophobicContact CB-CD1 4.29Å; D477-Y660 HydrophobicContact CB-CE1 3.67Å; D477-Y660 HydrophobicContact CB-CE2 3.98Å; D477-Y660 PolarHBondContact OD2-OH 3.13Å; I478-Y660 HydrophobicContact CG1-CD1 4.43Å; I478-Y660 HydrophobicContact CG1-CG 4.46Å; Q481-Y660 VanDerWaalsContact NE2-CE2 3.33Å; L656-Y660 WeakPolarHBondContact O-CB 3.39Å; L656-Y660 PolarHBondContact O-N 3.37Å; Y660-K662 VanDerWaalsContact C-N 3.33Å; Y660-K662 PolarHBondContact O-N 3.33Å; Y660-R663 WeakPolarHBondContact O-CB 2.85Å; Y660-R663 PolarHBondContact O-N 3.1Å; Y660-R663 VanDerWaalsContact O-N 3.07Å; Y660-T664 HydrophobicContact CD2-CG2 3.94Å; Y660-T664 HydrophobicContact CE2-CG2 3.26Å; Y660-T664 PolarHBondContact O-N 2.79Å; Y660-T664 PolarHBondContact O-OG1 3.32Å
661	R	85.4	Confident	83.2	Confident	108 Å²	108	74.2 Å²	74.2	41%	0.408	40%	0.395	S	S	.	.	H	α-helix	trans	-58.6	-42.2	-179	-72.7	-179.7	65.5	127	0.9	112.3	Q471 I657 R663 T664 S665	Q471-R661 PolarHBondContact O-NH1 3.23Å; I657-R661 WeakPolarHBondContact O-CB 3.48Å; I657-R661 VanDerWaalsContact O-CG 3.31Å; I657-R661 WeakPolarHBondContact O-CG 3.49Å; I657-R661 PolarHBondContact O-N 2.77Å; R661-R663 PolarHBondContact O-N 2.75Å; R661-T664 WeakPolarHBondContact CA-OG1 3.16Å; R661-T664 PolarHBondContact O-N 2.69Å; R661-T664 PolarHBondContact O-OG1 3.3Å; R661-S665 WeakPolarHBondContact O-CB 3.44Å; R661-S665 PolarHBondContact O-N 2.76Å; R661-S665 PolarHBondContact O-OG 3.4Å
662	K	83.8	Confident	82.4	Confident	139 Å²	139	71.5 Å²	71.5	60%	0.604	39%	0.386	S	S	*	.	H	α-helix	trans	-56	-47.3	173.9	-78.4	169.6	-178.1	173.2	0	112.1	Q658 Y660 T664 S665 T666	Q658-K662 WeakPolarHBondContact O-CB 3.31Å; Q658-K662 VanDerWaalsContact O-CG 3.22Å; Q658-K662 WeakPolarHBondContact O-CG 3.2Å; Q658-K662 PolarHBondContact O-N 2.72Å; Y660-K662 VanDerWaalsContact C-N 3.33Å; Y660-K662 PolarHBondContact O-N 3.33Å; K662-T664 VanDerWaalsContact C-N 3.35Å; K662-T664 PolarHBondContact O-N 3.44Å; K662-S665 PolarHBondContact O-N 2.85Å; K662-T666 PolarHBondContact O-OG1 3.06Å
663	R	79.4	Confident	81.4	Confident	102 Å²	102	74.9 Å²	74.9	39%	0.385	40%	0.402	S	S	.	.	H	α-helix	trans	-63	-37.8	177.5	-70	172.4	179.4	-178.8	3.5	112.7	Q481 Q659 Y660 R661 T666	Q481-R663 PolarHBondContact O-NH1 3.17Å; Q659-R663 WeakPolarHBondContact O-CG 3.37Å; Q659-R663 PolarHBondContact O-N 2.96Å; Y660-R663 WeakPolarHBondContact O-CB 2.85Å; Y660-R663 PolarHBondContact O-N 3.1Å; Y660-R663 VanDerWaalsContact O-N 3.07Å; R661-R663 PolarHBondContact O-N 2.75Å; R663-T666 PolarHBondContact O-OG1 2.62Å; R663-T666 VanDerWaalsContact O-OG1 3.05Å
664	T	72.9	Confident	80.2	Confident	56 Å²	56	80.1 Å²	80.1	34%	0.344	43%	0.43	S	S	.	.	H	α-helix	trans	-77.3	-24.2	178.7	50.9	0	0	0	0	114.5	Y660 R661 K662 T666	Y660-T664 HydrophobicContact CD2-CG2 3.94Å; Y660-T664 HydrophobicContact CE2-CG2 3.26Å; Y660-T664 PolarHBondContact O-N 2.79Å; Y660-T664 PolarHBondContact O-OG1 3.32Å; R661-T664 WeakPolarHBondContact CA-OG1 3.16Å; R661-T664 PolarHBondContact O-N 2.69Å; R661-T664 PolarHBondContact O-OG1 3.3Å; K662-T664 VanDerWaalsContact C-N 3.35Å; K662-T664 PolarHBondContact O-N 3.44Å; T664-T666 VanDerWaalsContact C-N 3.3Å
665	S	65.4	Low	78.9	Confident	101 Å²	101	84.3 Å²	84.3	71%	0.706	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.7	178.1	-63.7	0	0	0	0	113.8	R661 K662	R661-S665 WeakPolarHBondContact O-CB 3.44Å; R661-S665 PolarHBondContact O-N 2.76Å; R661-S665 PolarHBondContact O-OG 3.4Å; K662-S665 PolarHBondContact O-N 2.85Å
666	T	48.1	Very low	77.5	Confident	116 Å²	116	85 Å²	85	71%	0.712	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	24.6	177	52.1	0	0	0	0	113	K662 R663 T664	K662-T666 PolarHBondContact O-OG1 3.06Å; R663-T666 PolarHBondContact O-OG1 2.62Å; R663-T666 VanDerWaalsContact O-OG1 3.05Å; T664-T666 VanDerWaalsContact C-N 3.3Å
667	C	37.8	Very low	75.9	Confident	175 Å²	175	91.7 Å²	91.7	100%	1.182	48%	0.483	S	S	*	.			trans	-138.9	0	-176.3	-73.4	0	0	0	0	112.2

Retrieved 667 of 667 residues in 3315.2 ms (Link to these results)

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