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Tubulin alpha chain

Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin.

AlphaFold DB , UniProt , Accession A0A077ZBW6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 462 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	T	37.1	Very low	35.1	Very low	176 Å²	176	164.5 Å²	164.5	100%	1.08	83%	0.831	S	S	*	*				0	84.9	0	-2.7	0	0	0	0	107.4	R3	T1-R3 PolarHBondContact O-N 2.83Å; T1-R3 VanDerWaalsContact O-N 3.09Å
2	Y	35.6	Very low	36.2	Very low	246 Å²	246	163.8 Å²	163.8	97%	0.965	82%	0.818	S	S	*	*			trans	-84	60.5	176.2	-76.2	-85.6	0	0	0	109.6
3	R	32.4	Very low	38	Very low	240 Å²	240	155.2 Å²	155.2	91%	0.906	77%	0.774	S	S	*	*			trans	-101.5	104.4	166.5	-80.6	-171.4	178.3	-177.7	-1.4	106.3	T1	T1-R3 PolarHBondContact O-N 2.83Å; T1-R3 VanDerWaalsContact O-N 3.09Å
4	G	33.7	Very low	41	Very low	66 Å²	66	152.4 Å²	152.4	68%	0.68	75%	0.75	S	S	*	*	S	Bend	trans	169.7	8.6	176	0	0	0	0	0	118
5	L	33.1	Very low	44.4	Very low	161 Å²	161	142.3 Å²	142.3	84%	0.843	70%	0.7	S	S	*	*	S	Bend	trans	-119.6	1.2	174.1	-77.8	170.9	0	0	0	114.9
6	D	37.7	Very low	47.6	Very low	167 Å²	167	133.4 Å²	133.4	89%	0.893	66%	0.657	S	S	*	*	S	Bend	trans	-89	1.6	176.6	-64.4	-23.8	0	0	0	113.5
7	E	32.9	Very low	50.6	Low	181 Å²	181	125.5 Å²	125.5	85%	0.846	62%	0.618	S	S	*	*	S	Bend	trans	-108.7	13.6	-173.5	-78.3	-172.9	172.7	0	0	115.9
8	L	31.2	Very low	53.2	Low	158 Å²	158	118.7 Å²	118.7	83%	0.827	58%	0.584	S	S	*	*	S	Bend	trans	-125.2	4.3	179	-95.9	158.4	0	0	0	116.4
9	F	33.4	Very low	55.6	Low	185 Å²	185	112.4 Å²	112.4	81%	0.811	55%	0.554	S	S	*	*			trans	-110.8	64.7	160.3	-74.9	-82.4	0	0	0	109.1	I11	F9-I11 PolarHBondContact O-N 2.96Å
10	T	36	Very low	57.8	Low	110 Å²	110	106.9 Å²	106.9	68%	0.675	53%	0.526	S	S	*	.			trans	-60.1	93.9	144.1	0.1	0	0	0	0	104.8	F12	T10-F12 PolarHBondContact O-N 3.17Å
11	I	43.6	Very low	59.7	Low	119 Å²	119	101.8 Å²	101.8	61%	0.61	50%	0.501	S	S	*	.			trans	-58	100	163.9	-63.4	172.6	0	0	0	103.2	F9 Q13	F9-I11 PolarHBondContact O-N 2.96Å; I11-Q13 PolarHBondContact O-N 3.11Å; I11-Q13 VanDerWaalsContact O-N 3.07Å
12	F	47.6	Very low	62.6	Low	156 Å²	156	93.5 Å²	93.5	68%	0.684	45%	0.451	S	S	*	.			trans	-50.2	122.5	171	-76.6	-86.2	0	0	0	106.1	T10 R14	T10-F12 PolarHBondContact O-N 3.17Å; F12-R14 PolarHBondContact O-N 2.95Å
13	Q	60.4	Low	65.5	Low	52 Å²	52	86.9 Å²	86.9	24%	0.243	43%	0.429	C	S	.	.			trans	-56.2	138.3	177.4	-65.8	-174.7	-24.3	0	0	107.6	I11 E15 A57 T142	I11-Q13 PolarHBondContact O-N 3.11Å; I11-Q13 VanDerWaalsContact O-N 3.07Å; Q13-E15 HydrophobicContact CB-CG 4.26Å; Q13-E15 PolarHBondContact O-N 3.49Å; Q13-A57 PolarHBondContact NE2-O 3.5Å; Q13-A57 VanDerWaalsContact NE2-O 3.09Å; Q13-T142 WeakPolarHBondContact CB-OG1 3.49Å
14	R	80.1	Confident	68.5	Low	116 Å²	116	76.8 Å²	76.8	44%	0.438	40%	0.396	S	S	.	.			trans	-102.6	51.2	-163	-94	-170.6	-165.1	-160.6	0.7	109.1	F12 T63 Q145	F12-R14 PolarHBondContact O-N 2.95Å; R14-T63 VanDerWaalsContact O-CG2 3.23Å; R14-T63 WeakPolarHBondContact O-CG2 3.44Å; R14-Q145 HydrophobicContact CB-CG 4.22Å; R14-Q145 HydrophobicContact CG-CG 4.25Å; R14-Q145 PolarHBondContact O-NE2 2.85Å
15	E	92	Very high	71.6	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.005	36%	0.364	C	S	.	.			trans	-69.9	147.4	-165.8	-50.6	101	144.7	0	0	113.1	Q13 T63 C141 T142 G143 L144 Q145	Q13-E15 HydrophobicContact CB-CG 4.26Å; Q13-E15 PolarHBondContact O-N 3.49Å; E15-T63 WeakPolarHBondContact CA-O 3.42Å; E15-C141 HydrophobicContact CB-CB 4.04Å; E15-C141 HydrophobicContact CG-CB 4.33Å; E15-T142 PolarHBondContact OE1-N 3.32Å; E15-T142 PolarHBondContact OE1-OG1 2.88Å; E15-T142 PolarHBondContact OE2-N 3.28Å; E15-G143 PolarHBondContact N-O 3.2Å; E15-G143 WeakPolarHBondContact OE2-CA 3.4Å; E15-G143 PolarHBondContact OE2-N 3.12Å; E15-L144 WeakPolarHBondContact O-CA 3.29Å; E15-Q145 PolarHBondContact O-N 2.91Å
16	V	95.2	Very high	74.7	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.5	-177	-177.8	0	0	0	0	108.9	T63 F64 Q145 L148 L254 L264	V16-T63 HydrophobicContact CG2-CG2 4.19Å; V16-T63 PolarHBondContact N-O 2.82Å; V16-F64 HydrophobicContact CB-CD1 4.24Å; V16-F64 HydrophobicContact CB-CE1 3.69Å; V16-F64 HydrophobicContact CB-CZ 3.98Å; V16-F64 HydrophobicContact CG1-CE1 3.76Å; V16-F64 HydrophobicContact CG1-CZ 4.2Å; V16-F64 HydrophobicContact CG2-CE1 4.45Å; V16-F64 HydrophobicContact CG2-CZ 4.24Å; V16-Q145 HydrophobicContact CG2-CB 4.38Å; V16-L148 HydrophobicContact CG1-CD1 4.14Å; V16-L148 HydrophobicContact CG1-CD2 4.32Å; V16-L148 HydrophobicContact CG1-CG 3.68Å; V16-L254 HydrophobicContact CG2-CD1 4.18Å; V16-L264 HydrophobicContact CB-CD1 4.49Å; V16-L264 HydrophobicContact CG1-CD1 3.99Å; V16-L264 HydrophobicContact CG2-CD1 3.63Å; V16-L264 HydrophobicContact CG2-CG 4.4Å
17	I	97.8	Very high	77.6	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.7	176.1	-65	167.3	0	0	0	108.6	V19 R76 L137 A138 L144 G146 F147 L148	I17-V19 HydrophobicContact CG2-CG2 4.1Å; I17-R76 WeakPolarHBondContact CA-O 3.25Å; I17-L137 HydrophobicContact CD1-CB 3.67Å; I17-L137 HydrophobicContact CG1-CB 4.18Å; I17-L137 HydrophobicContact CG2-CD1 4.1Å; I17-A138 HydrophobicContact CD1-CB 4.14Å; I17-L144 HydrophobicContact CB-CD1 4.46Å; I17-L144 HydrophobicContact CD1-CD1 3.75Å; I17-L144 HydrophobicContact CD1-CD2 4.23Å; I17-L144 HydrophobicContact CG1-CD1 3.82Å; I17-G146 PolarHBondContact N-O 2.82Å; I17-G146 VanDerWaalsContact N-O 3.13Å; I17-F147 HydrophobicContact CB-CD1 3.84Å; I17-F147 HydrophobicContact CB-CE1 4.04Å; I17-F147 HydrophobicContact CD1-CE1 3.97Å; I17-F147 HydrophobicContact CG2-CD1 4.12Å; I17-F147 HydrophobicContact CG2-CE1 4.31Å; I17-F147 CarbonylContact O-C 3.48Å; I17-F147 VanDerWaalsContact O-CA 3.24Å; I17-F147 WeakPolarHBondContact O-CA 3.44Å; I17-L148 PolarHBondContact O-N 3.36Å
18	S	98.6	Very high	80.7	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.3	173.1	-54	0	0	0	0	110.6	H20 R76 A77 I78 L148	S18-H20 WeakPolarHBondContact CB-NE2 3.29Å; S18-R76 PolarHBondContact N-O 3Å; S18-A77 CarbonylContact O-C 3.59Å; S18-A77 VanDerWaalsContact O-CA 3.22Å; S18-A77 WeakPolarHBondContact O-CA 3.39Å; S18-I78 PolarHBondContact O-N 3.44Å; S18-L148 CarbonylContact C-O 3.55Å; S18-L148 WeakPolarHBondContact CA-O 3.37Å
19	V	98.8	Very high	83.9	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.4	178.8	-171	0	0	0	0	108.9	I17 V21 I134 F147 L148 I149 F150 L165	I17-V19 HydrophobicContact CG2-CG2 4.1Å; V19-V21 HydrophobicContact CG1-CG2 3.82Å; V19-I134 HydrophobicContact CG2-CD1 4.29Å; V19-F147 HydrophobicContact CG2-CD1 4.43Å; V19-L148 PolarHBondContact N-O 2.75Å; V19-I149 CarbonylContact O-C 3.56Å; V19-I149 WeakPolarHBondContact O-CA 3.36Å; V19-F150 PolarHBondContact O-N 3.33Å; V19-L165 HydrophobicContact CG1-CD2 3.73Å
20	H	98.8	Very high	86.9	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	112.4	-175	-60.5	-79	0	0	0	109.1	S18 G25 G29 W33 I78 F79 V80 F150	S18-H20 WeakPolarHBondContact CB-NE2 3.29Å; H20-G25 PolarHBondContact ND1-O 2.81Å; H20-G29 WeakPolarHBondContact CE1-CA 3.42Å; H20-G29 WeakPolarHBondContact ND1-CA 3.43Å; H20-W33 AromaticContact CD2-NE1 3.87Å; H20-W33 AromaticContact CE1-NE1 3.94Å; H20-W33 AromaticContact NE2-NE1 3.14Å; H20-W33 PolarHBondContact NE2-NE1 3.36Å; H20-W33 VanDerWaalsContact NE2-NE1 3.14Å; H20-I78 PolarHBondContact N-O 2.93Å; H20-F79 HydrophobicContact CB-CD1 3.56Å; H20-F79 HydrophobicContact CB-CE1 3.85Å; H20-F79 HydrophobicContact CB-CG 4.14Å; H20-F79 AromaticContact CD2-CE1 3.78Å; H20-F79 AromaticContact CD2-CE2 3.95Å; H20-F79 AromaticContact CD2-CZ 3.69Å; H20-F79 AromaticContact CG-CD1 3.97Å; H20-F79 AromaticContact CG-CE1 3.74Å; H20-F79 WeakPolarHBondContact O-CA 3.27Å; H20-V80 PolarHBondContact O-N 3.28Å; H20-F150 AromaticContact CE1-CD2 3.16Å; H20-F150 WeakPolarHBondContact CE1-CD2 3.44Å; H20-F150 AromaticContact CE1-CE2 3.41Å; H20-F150 VanDerWaalsContact CE1-CE2 3.41Å; H20-F150 WeakPolarHBondContact CE1-CE2 3.41Å; H20-F150 AromaticContact CE1-CG 3.56Å; H20-F150 AromaticContact CE1-CZ 3.98Å; H20-F150 WeakPolarHBondContact ND1-CB 3.04Å; H20-F150 AromaticContact ND1-CD2 3.33Å; H20-F150 VanDerWaalsContact ND1-CD2 3.33Å; H20-F150 WeakPolarHBondContact ND1-CD2 3.47Å; H20-F150 AromaticContact ND1-CG 3.37Å; H20-F150 WeakPolarHBondContact ND1-CG 3.27Å; H20-F150 AromaticContact NE2-CD2 3.98Å
21	V	98.7	Very high	89.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127	-167.7	-174.2	0	0	0	0	111.9	V19 G25 V80 F150 H151 T157 F161 T162 L165	V19-V21 HydrophobicContact CG1-CG2 3.82Å; V21-G25 PolarHBondContact O-N 3.01Å; V21-V80 WeakPolarHBondContact CA-O 3.47Å; V21-F150 PolarHBondContact N-O 3.33Å; V21-H151 HydrophobicContact CB-CB 4.35Å; V21-T157 HydrophobicContact CG1-CG2 3.93Å; V21-F161 HydrophobicContact CG1-CD1 3.7Å; V21-F161 HydrophobicContact CG1-CE1 4.48Å; V21-T162 WeakPolarHBondContact CB-OG1 3.26Å; V21-T162 VanDerWaalsContact CG1-OG1 3.24Å; V21-T162 WeakPolarHBondContact CG1-OG1 3.39Å; V21-L165 HydrophobicContact CG2-CD2 4.24Å
22	G	97.8	Very high	92.3	Very high	2 Å²	2	27.6 Å²	27.6	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	69.6	174.9	-179.4	0	0	0	0	0	113.2	A24 G25 V26 V80 D81	G22-A24 PolarHBondContact O-N 2.95Å; G22-G25 PolarHBondContact O-N 2.74Å; G22-G25 VanDerWaalsContact O-N 3.16Å; G22-V26 VanDerWaalsContact O-CG2 3.31Å; G22-V26 WeakPolarHBondContact O-CG2 3.31Å; G22-V26 PolarHBondContact O-N 2.88Å; G22-V80 PolarHBondContact N-O 3.08Å; G22-D81 VanDerWaalsContact C-OD2 3.25Å; G22-D81 WeakPolarHBondContact CA-OD2 3.24Å
23	Q	96	Very high	94.7	Very high	108 Å²	108	20.2 Å²	20.2	51%	0.505	10%	0.099	S	C	.	.	H	α-helix	trans	-47.5	-52.4	-176.9	-173.2	-178.6	-29.4	0	0	114	Q27 D81 V86	Q23-Q27 WeakPolarHBondContact O-CB 3.39Å; Q23-Q27 VanDerWaalsContact O-CG 3.25Å; Q23-Q27 WeakPolarHBondContact O-CG 3.42Å; Q23-Q27 PolarHBondContact O-N 3.16Å; Q23-D81 PolarHBondContact N-OD2 3.41Å; Q23-V86 HydrophobicContact CG-CG2 4.29Å
24	A	96	Very high	96.4	Very high	27 Å²	27	19.8 Å²	19.8	22%	0.223	10%	0.097	C	C	.	.	H	α-helix	trans	-63.4	-48.3	-178.9	0	0	0	0	0	112	G22 V26 Q27 I28 I183	G22-A24 PolarHBondContact O-N 2.95Å; A24-V26 PolarHBondContact O-N 3.07Å; A24-Q27 PolarHBondContact O-N 2.78Å; A24-I28 WeakPolarHBondContact O-CB 3.1Å; A24-I28 WeakPolarHBondContact O-CD1 3.31Å; A24-I28 VanDerWaalsContact O-CG1 3.24Å; A24-I28 WeakPolarHBondContact O-CG1 3.46Å; A24-I28 PolarHBondContact O-N 3.45Å; A24-I183 HydrophobicContact CB-CG1 4.28Å
25	G	98.2	Very high	97.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.7	-46	179.8	0	0	0	0	0	112.2	H20 V21 G22 I28 G29 F150	H20-G25 PolarHBondContact ND1-O 2.81Å; V21-G25 PolarHBondContact O-N 3.01Å; G22-G25 PolarHBondContact O-N 2.74Å; G22-G25 VanDerWaalsContact O-N 3.16Å; G25-I28 PolarHBondContact O-N 2.73Å; G25-G29 PolarHBondContact O-N 3.24Å; G25-F150 VanDerWaalsContact CA-O 3.31Å; G25-F150 WeakPolarHBondContact CA-O 3.18Å
26	V	98.5	Very high	97.4	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	8%	0.077	C	C	.	.	H	α-helix	trans	-63.3	-44.5	178.8	173.2	0	0	0	0	111.8	G22 A24 G29 N30 F79 V86 I87 V90	G22-V26 VanDerWaalsContact O-CG2 3.31Å; G22-V26 WeakPolarHBondContact O-CG2 3.31Å; G22-V26 PolarHBondContact O-N 2.88Å; A24-V26 PolarHBondContact O-N 3.07Å; V26-G29 PolarHBondContact O-N 2.98Å; V26-N30 PolarHBondContact O-N 2.59Å; V26-F79 HydrophobicContact CB-CD1 4.16Å; V26-F79 HydrophobicContact CG1-CD1 3.83Å; V26-F79 HydrophobicContact CG1-CE1 4.41Å; V26-F79 HydrophobicContact CG2-CB 4.38Å; V26-F79 HydrophobicContact CG2-CD1 4.07Å; V26-V86 HydrophobicContact CB-CG1 3.92Å; V26-V86 HydrophobicContact CB-CG2 3.85Å; V26-V86 HydrophobicContact CG1-CB 4.28Å; V26-V86 HydrophobicContact CG1-CG1 3.95Å; V26-V86 HydrophobicContact CG1-CG2 3.59Å; V26-V86 HydrophobicContact CG2-CG1 3.95Å; V26-I87 HydrophobicContact CG1-CD1 4.23Å; V26-I87 HydrophobicContact CG2-CD1 3.69Å; V26-V90 HydrophobicContact CG1-CG2 3.74Å
27	Q	97.7	Very high	97.4	Very high	41 Å²	41	14.6 Å²	14.6	19%	0.192	8%	0.077	C	C	.	.	H	α-helix	trans	-69.2	-38.1	-179.1	-70.8	179.1	-18.9	0	0	112.8	Q23 A24 S31 V86 N240	Q23-Q27 WeakPolarHBondContact O-CB 3.39Å; Q23-Q27 VanDerWaalsContact O-CG 3.25Å; Q23-Q27 WeakPolarHBondContact O-CG 3.42Å; Q23-Q27 PolarHBondContact O-N 3.16Å; A24-Q27 PolarHBondContact O-N 2.78Å; Q27-S31 PolarHBondContact O-N 2.62Å; Q27-S31 PolarHBondContact O-OG 3.21Å; Q27-V86 HydrophobicContact CG-CG2 3.72Å; Q27-N240 WeakPolarHBondContact CB-ND2 3.4Å
28	I	98.2	Very high	97.2	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.015	9%	0.092	C	C	.	.	H	α-helix	trans	-62.3	-48.2	170.7	-68.8	162.5	0	0	0	109.4	A24 G25 N30 S31 C32 F150 I183 N240 I243	A24-I28 WeakPolarHBondContact O-CB 3.1Å; A24-I28 WeakPolarHBondContact O-CD1 3.31Å; A24-I28 VanDerWaalsContact O-CG1 3.24Å; A24-I28 WeakPolarHBondContact O-CG1 3.46Å; A24-I28 PolarHBondContact O-N 3.45Å; G25-I28 PolarHBondContact O-N 2.73Å; I28-N30 VanDerWaalsContact C-N 3.34Å; I28-N30 PolarHBondContact O-N 3Å; I28-S31 WeakPolarHBondContact O-CB 3.15Å; I28-S31 PolarHBondContact O-N 2.86Å; I28-S31 VanDerWaalsContact O-N 3.08Å; I28-C32 PolarHBondContact O-N 3.43Å; I28-C32 PolarHBondContact O-SG 3.17Å; I28-F150 HydrophobicContact CG2-CD1 3.71Å; I28-F150 HydrophobicContact CG2-CE1 4.23Å; I28-I183 HydrophobicContact CD1-CD1 3.68Å; I28-I183 HydrophobicContact CD1-CG1 3.66Å; I28-N240 WeakPolarHBondContact CG1-OD1 3.29Å; I28-I243 HydrophobicContact CD1-CD1 4.15Å; I28-I243 HydrophobicContact CG1-CD1 4.16Å; I28-I243 HydrophobicContact CG1-CG2 4.48Å; I28-I243 HydrophobicContact CG2-CG2 3.69Å
29	G	97.9	Very high	97	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-53.8	-49.1	179	0	0	0	0	0	112.5	H20 G25 V26 S31 C32 W33	H20-G29 WeakPolarHBondContact CE1-CA 3.42Å; H20-G29 WeakPolarHBondContact ND1-CA 3.43Å; G25-G29 PolarHBondContact O-N 3.24Å; V26-G29 PolarHBondContact O-N 2.98Å; G29-S31 VanDerWaalsContact C-N 3.27Å; G29-S31 PolarHBondContact O-N 2.94Å; G29-C32 PolarHBondContact O-N 3.16Å; G29-C32 VanDerWaalsContact O-N 3.08Å; G29-W33 PolarHBondContact O-N 3.05Å
30	N	96.6	Very high	96.6	Very high	51 Å²	51	19.2 Å²	19.2	27%	0.273	10%	0.1	S	C	.	.	H	α-helix	trans	-56.8	-41.6	178.6	-162.8	24.3	0	0	0	112.1	V26 I28 E34	V26-N30 PolarHBondContact O-N 2.59Å; I28-N30 VanDerWaalsContact C-N 3.34Å; I28-N30 PolarHBondContact O-N 3Å; N30-E34 WeakPolarHBondContact O-CB 3.37Å; N30-E34 PolarHBondContact O-N 2.89Å; N30-E34 VanDerWaalsContact O-N 3.09Å
31	S	96.5	Very high	96.3	Very high	17 Å²	17	21 Å²	21	12%	0.119	12%	0.119	C	C	.	.	H	α-helix	trans	-68.7	-37.3	177.1	-53.5	0	0	0	0	112.5	Q27 I28 G29 L35 N240	Q27-S31 PolarHBondContact O-N 2.62Å; Q27-S31 PolarHBondContact O-OG 3.21Å; I28-S31 WeakPolarHBondContact O-CB 3.15Å; I28-S31 PolarHBondContact O-N 2.86Å; I28-S31 VanDerWaalsContact O-N 3.08Å; G29-S31 VanDerWaalsContact C-N 3.27Å; G29-S31 PolarHBondContact O-N 2.94Å; S31-L35 PolarHBondContact O-N 3.2Å; S31-N240 VanDerWaalsContact OG-CB 3.3Å; S31-N240 WeakPolarHBondContact OG-CB 3.41Å
32	C	97.5	Very high	96	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.014	12%	0.12	C	C	.	.	H	α-helix	trans	-67.6	-44.2	177.8	-64.1	0	0	0	0	111.9	I28 G29 L35 Y36 V247	I28-C32 PolarHBondContact O-N 3.43Å; I28-C32 PolarHBondContact O-SG 3.17Å; G29-C32 PolarHBondContact O-N 3.16Å; G29-C32 VanDerWaalsContact O-N 3.08Å; C32-L35 WeakPolarHBondContact O-CB 3.24Å; C32-L35 PolarHBondContact O-N 3.04Å; C32-Y36 PolarHBondContact O-N 3.23Å; C32-V247 HydrophobicContact CB-CG1 4.41Å
33	W	97.6	Very high	95.9	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	14%	0.14	C	C	.	.	H	α-helix	trans	-71.8	-34.3	-179.7	-70.7	108.5	0	0	0	112.8	H20 G29 L35 Y36 C37 F64 F65 P75 A77 F79 L98 F99	H20-W33 AromaticContact CD2-NE1 3.87Å; H20-W33 AromaticContact CE1-NE1 3.94Å; H20-W33 AromaticContact NE2-NE1 3.14Å; H20-W33 PolarHBondContact NE2-NE1 3.36Å; H20-W33 VanDerWaalsContact NE2-NE1 3.14Å; G29-W33 PolarHBondContact O-N 3.05Å; W33-L35 VanDerWaalsContact C-N 3.27Å; W33-L35 PolarHBondContact O-N 3.47Å; W33-Y36 HydrophobicContact CD2-CD2 4.33Å; W33-Y36 AromaticContact CE3-CD2 3.71Å; W33-Y36 HydrophobicContact CE3-CD2 3.71Å; W33-Y36 HydrophobicContact CH2-CD2 4.32Å; W33-Y36 AromaticContact CZ3-CD2 3.72Å; W33-Y36 HydrophobicContact CZ3-CD2 3.72Å; W33-Y36 HydrophobicContact CZ3-CE2 4.34Å; W33-Y36 PolarHBondContact O-N 3.43Å; W33-C37 WeakPolarHBondContact O-CB 3.5Å; W33-C37 PolarHBondContact O-N 3.24Å; W33-C37 PolarHBondContact O-SG 3.42Å; W33-C37 VanDerWaalsContact O-SG 3.41Å; W33-F64 HydrophobicContact CH2-CB 3.94Å; W33-F64 HydrophobicContact CH2-CD1 4.3Å; W33-F64 WeakPolarHBondContact CH2-O 3.47Å; W33-F64 HydrophobicContact CZ3-CB 4.07Å; W33-F65 HydrophobicContact CE3-CE1 4.08Å; W33-F65 HydrophobicContact CE3-CE2 4.39Å; W33-F65 AromaticContact CE3-CZ 3.74Å; W33-F65 HydrophobicContact CE3-CZ 3.74Å; W33-F65 HydrophobicContact CZ3-CD2 4.47Å; W33-F65 AromaticContact CZ3-CE1 4Å; W33-F65 HydrophobicContact CZ3-CE1 4Å; W33-F65 AromaticContact CZ3-CE2 3.95Å; W33-F65 HydrophobicContact CZ3-CE2 3.95Å; W33-F65 AromaticContact CZ3-CZ 3.69Å; W33-F65 HydrophobicContact CZ3-CZ 3.69Å; W33-P75 HydrophobicContact CD2-CB 4.03Å; W33-P75 HydrophobicContact CD2-CG 4.15Å; W33-P75 HydrophobicContact CE3-CB 3.77Å; W33-P75 HydrophobicContact CE3-CG 3.77Å; W33-P75 HydrophobicContact CH2-CB 3.67Å; W33-P75 HydrophobicContact CZ2-CB 3.93Å; W33-P75 HydrophobicContact CZ3-CB 3.57Å; W33-P75 HydrophobicContact CZ3-CG 3.96Å; W33-A77 HydrophobicContact CH2-CB 4.39Å; W33-A77 HydrophobicContact CZ2-CB 3.52Å; W33-F79 AromaticContact CD1-CZ 3.61Å; W33-F79 AromaticContact NE1-CZ 3.78Å; W33-L98 HydrophobicContact CB-CD2 4.4Å; W33-F99 HydrophobicContact CB-CE1 4.15Å; W33-F99 HydrophobicContact CB-CZ 3.76Å; W33-F99 AromaticContact CD1-CE1 3.68Å; W33-F99 AromaticContact CD1-CZ 3.8Å; W33-F99 HydrophobicContact CD2-CE1 4.17Å; W33-F99 AromaticContact CG-CE1 3.73Å; W33-F99 HydrophobicContact CG-CE1 3.73Å; W33-F99 AromaticContact CG-CZ 3.8Å; W33-F99 HydrophobicContact CG-CZ 3.8Å
34	E	97.1	Very high	95.9	Very high	43 Å²	43	22.2 Å²	22.2	20%	0.201	13%	0.127	C	C	.	.	H	α-helix	trans	-53.7	-48.8	167.4	169.9	170.8	-128.4	0	0	110.3	N30 C37 L38 Y95 V375	N30-E34 WeakPolarHBondContact O-CB 3.37Å; N30-E34 PolarHBondContact O-N 2.89Å; N30-E34 VanDerWaalsContact O-N 3.09Å; E34-C37 PolarHBondContact O-N 3.33Å; E34-L38 HydrophobicContact CG-CD1 4.18Å; E34-L38 VanDerWaalsContact O-CG 3.32Å; E34-L38 WeakPolarHBondContact O-CG 3.32Å; E34-L38 PolarHBondContact O-N 2.99Å; E34-Y95 HydrophobicContact CB-CD2 4.4Å; E34-Y95 HydrophobicContact CB-CE2 3.67Å; E34-Y95 HydrophobicContact CG-CE2 3.79Å; E34-V375 HydrophobicContact CG-CG1 4.46Å; E34-V375 HydrophobicContact CG-CG2 4.11Å; E34-V375 WeakPolarHBondContact OE1-CG1 3.21Å
35	L	95.9	Very high	95.9	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-65.3	-44.3	179.4	-176.2	59.2	0	0	0	112.5	S31 C32 W33 C37 L38 E39 G244 T373	S31-L35 PolarHBondContact O-N 3.2Å; C32-L35 WeakPolarHBondContact O-CB 3.24Å; C32-L35 PolarHBondContact O-N 3.04Å; W33-L35 VanDerWaalsContact C-N 3.27Å; W33-L35 PolarHBondContact O-N 3.47Å; L35-C37 VanDerWaalsContact C-N 3.31Å; L35-C37 PolarHBondContact O-N 3.41Å; L35-L38 PolarHBondContact O-N 3.49Å; L35-E39 HydrophobicContact CD1-CG 4.22Å; L35-E39 HydrophobicContact CG-CG 4.38Å; L35-E39 WeakPolarHBondContact O-CB 3.19Å; L35-E39 VanDerWaalsContact O-CG 3.29Å; L35-E39 WeakPolarHBondContact O-CG 3.29Å; L35-E39 PolarHBondContact O-N 2.89Å; L35-G244 WeakPolarHBondContact CD2-O 3.47Å; L35-T373 HydrophobicContact CD1-CG2 4.23Å; L35-T373 VanDerWaalsContact CD1-O 3.24Å; L35-T373 WeakPolarHBondContact CD1-O 3.38Å
36	Y	95.6	Very high	95.7	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-59.9	-42.4	176	-73.4	-0	0	0	0	111.9	C32 W33 L38 E39 H40 F64 V247 T251	C32-Y36 PolarHBondContact O-N 3.23Å; W33-Y36 HydrophobicContact CD2-CD2 4.33Å; W33-Y36 AromaticContact CE3-CD2 3.71Å; W33-Y36 HydrophobicContact CE3-CD2 3.71Å; W33-Y36 HydrophobicContact CH2-CD2 4.32Å; W33-Y36 AromaticContact CZ3-CD2 3.72Å; W33-Y36 HydrophobicContact CZ3-CD2 3.72Å; W33-Y36 HydrophobicContact CZ3-CE2 4.34Å; W33-Y36 PolarHBondContact O-N 3.43Å; Y36-L38 VanDerWaalsContact C-N 3.35Å; Y36-L38 PolarHBondContact O-N 3.3Å; Y36-E39 PolarHBondContact O-N 2.88Å; Y36-H40 PolarHBondContact O-CD2 3.41Å; Y36-H40 PolarHBondContact O-N 3.44Å; Y36-F64 HydrophobicContact CE2-CD1 4.17Å; Y36-F64 HydrophobicContact CE2-CG 4.2Å; Y36-V247 WeakPolarHBondContact OH-CG1 3.29Å; Y36-T251 WeakPolarHBondContact OH-CB 3.49Å; Y36-T251 VanDerWaalsContact OH-CG2 3.22Å; Y36-T251 WeakPolarHBondContact OH-CG2 3.41Å; Y36-T251 PolarHBondContact OH-OG1 2.75Å
37	C	95.6	Very high	95.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-46.2	175.2	-80.7	0	0	0	0	111.7	W33 E34 L35 E39 H40 G41 I42 Y95 L98	W33-C37 WeakPolarHBondContact O-CB 3.5Å; W33-C37 PolarHBondContact O-N 3.24Å; W33-C37 PolarHBondContact O-SG 3.42Å; W33-C37 VanDerWaalsContact O-SG 3.41Å; E34-C37 PolarHBondContact O-N 3.33Å; L35-C37 VanDerWaalsContact C-N 3.31Å; L35-C37 PolarHBondContact O-N 3.41Å; C37-E39 PolarHBondContact O-N 2.83Å; C37-H40 PolarHBondContact O-N 3.09Å; C37-G41 CarbonylContact O-C 3.57Å; C37-G41 WeakPolarHBondContact O-CA 3.29Å; C37-G41 PolarHBondContact O-N 2.91Å; C37-I42 HydrophobicContact CB-CB 4.34Å; C37-I42 VanDerWaalsContact CB-O 3.31Å; C37-I42 WeakPolarHBondContact CB-O 3.48Å; C37-I42 PolarHBondContact O-N 3.38Å; C37-Y95 HydrophobicContact CB-CE1 3.8Å; C37-L98 VanDerWaalsContact SG-CD2 3.57Å
38	L	94.7	Very high	95	Very high	60 Å²	60	26.4 Å²	26.4	31%	0.314	14%	0.144	S	C	.	.	H	α-helix	trans	-64.1	-39.5	177.4	-68.3	170.6	0	0	0	112.6	E34 L35 Y36 T373 V375	E34-L38 HydrophobicContact CG-CD1 4.18Å; E34-L38 VanDerWaalsContact O-CG 3.32Å; E34-L38 WeakPolarHBondContact O-CG 3.32Å; E34-L38 PolarHBondContact O-N 2.99Å; L35-L38 PolarHBondContact O-N 3.49Å; Y36-L38 VanDerWaalsContact C-N 3.35Å; Y36-L38 PolarHBondContact O-N 3.3Å; L38-T373 HydrophobicContact CB-CG2 3.82Å; L38-V375 HydrophobicContact CD1-CB 4.32Å; L38-V375 HydrophobicContact CD1-CG1 4.49Å; L38-V375 HydrophobicContact CD1-CG2 4.02Å
39	E	93.1	Very high	94	Very high	16 Å²	16	31.6 Å²	31.6	8%	0.075	18%	0.178	C	C	.	.	H	α-helix	trans	-68.4	-34.2	179.4	-72.8	-180	156.1	0	0	113	L35 Y36 C37 S248 R255 F256 R332 T373	L35-E39 HydrophobicContact CD1-CG 4.22Å; L35-E39 HydrophobicContact CG-CG 4.38Å; L35-E39 WeakPolarHBondContact O-CB 3.19Å; L35-E39 VanDerWaalsContact O-CG 3.29Å; L35-E39 WeakPolarHBondContact O-CG 3.29Å; L35-E39 PolarHBondContact O-N 2.89Å; Y36-E39 PolarHBondContact O-N 2.88Å; C37-E39 PolarHBondContact O-N 2.83Å; E39-S248 PolarHBondContact OE1-OG 3.49Å; E39-S248 PolarHBondContact OE2-OG 3.01Å; E39-S248 VanDerWaalsContact OE2-OG 3.07Å; E39-R255 IonicContact OE2-CZ 3.41Å; E39-R255 IonicContact OE2-NH1 2.67Å; E39-R255 PolarHBondContact OE2-NH1 3.05Å; E39-R255 IonicContact OE2-NH2 2.82Å; E39-R255 PolarHBondContact OE2-NH2 3.08Å; E39-F256 HydrophobicContact CB-CE2 4.41Å; E39-F256 HydrophobicContact CB-CZ 3.87Å; E39-R332 IonicContact OE1-NH2 2.82Å; E39-T373 HydrophobicContact CG-CG2 4.29Å; E39-T373 WeakPolarHBondContact CG-OG1 3.46Å
40	H	91.2	Very high	92.7	Very high	24 Å²	24	35.8 Å²	35.8	11%	0.111	21%	0.213	C	C	.	.	H	α-helix	trans	-95.4	-6.4	179.5	-67.4	-68	0	0	0	113.6	Y36 C37 I42 R255 F256	Y36-H40 PolarHBondContact O-CD2 3.41Å; Y36-H40 PolarHBondContact O-N 3.44Å; C37-H40 PolarHBondContact O-N 3.09Å; H40-I42 VanDerWaalsContact C-N 3.29Å; H40-I42 HydrophobicContact CB-CD1 3.86Å; H40-I42 HydrophobicContact CB-CG1 3.96Å; H40-R255 PolarHBondContact NE2-NH1 3.27Å; H40-F256 AromaticContact CE1-CE1 3.36Å; H40-F256 WeakPolarHBondContact CE1-CE1 3.27Å; H40-F256 AromaticContact CE1-CZ 3.32Å; H40-F256 WeakPolarHBondContact CE1-CZ 3.48Å; H40-F256 AromaticContact ND1-CE1 3.61Å; H40-F256 AromaticContact ND1-CZ 3.79Å; H40-F256 AromaticContact NE2-CZ 3.67Å
41	G	91.4	Very high	91.4	Very high	38 Å²	38	34.3 Å²	34.3	39%	0.392	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	19.8	-176.2	0	0	0	0	0	114.1	C37	C37-G41 CarbonylContact O-C 3.57Å; C37-G41 WeakPolarHBondContact O-CA 3.29Å; C37-G41 PolarHBondContact O-N 2.91Å
42	I	93.2	Very high	89.9	Confident	5 Å²	5	43.1 Å²	43.1	3%	0.026	24%	0.241	C	C	.	.			trans	-81.4	128	176.8	-60	169.1	0	0	0	108.4	C37 H40 M48 F65 H73 L98	C37-I42 HydrophobicContact CB-CB 4.34Å; C37-I42 VanDerWaalsContact CB-O 3.31Å; C37-I42 WeakPolarHBondContact CB-O 3.48Å; C37-I42 PolarHBondContact O-N 3.38Å; H40-I42 VanDerWaalsContact C-N 3.29Å; H40-I42 HydrophobicContact CB-CD1 3.86Å; H40-I42 HydrophobicContact CB-CG1 3.96Å; I42-M48 HydrophobicContact CG1-SD 4.1Å; I42-F65 HydrophobicContact CD1-CD1 3.98Å; I42-F65 HydrophobicContact CD1-CD2 4Å; I42-F65 HydrophobicContact CD1-CE1 3.84Å; I42-F65 HydrophobicContact CD1-CE2 3.87Å; I42-F65 HydrophobicContact CD1-CG 4.07Å; I42-F65 HydrophobicContact CD1-CZ 3.78Å; I42-H73 HydrophobicContact CD1-CB 4Å; I42-H73 HydrophobicContact CG2-CB 4.34Å; I42-L98 HydrophobicContact CG2-CD1 4.26Å
43	Q	95.3	Very high	88.3	Confident	93 Å²	93	45.1 Å²	45.1	44%	0.435	25%	0.254	S	S	.	.			trans	-74.8	161.9	177.6	-62.4	-54.5	-53.3	0	0	111.3	D45 G46 Q47 P49	Q43-D45 VanDerWaalsContact CB-OD1 3.29Å; Q43-D45 WeakPolarHBondContact CB-OD1 3.45Å; Q43-D45 PolarHBondContact O-N 3.16Å; Q43-G46 PolarHBondContact O-N 3.25Å; Q43-Q47 WeakPolarHBondContact CB-O 3.35Å; Q43-Q47 WeakPolarHBondContact CG-O 3.44Å; Q43-Q47 PolarHBondContact N-O 3.47Å; Q43-P49 HydrophobicContact CG-CG 4.48Å
44	P	96.2	Very high	86.5	Confident	37 Å²	37	49.9 Å²	49.9	24%	0.24	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15	-179.4	-25.6	35.1	0	0	0	115.8	T94 Y95 L98	P44-T94 HydrophobicContact CB-CG2 4.2Å; P44-T94 WeakPolarHBondContact CB-O 3.38Å; P44-T94 HydrophobicContact CG-CG2 4.14Å; P44-Y95 HydrophobicContact CB-CD1 3.71Å; P44-Y95 HydrophobicContact CB-CE1 3.81Å; P44-Y95 HydrophobicContact CB-CG 4.22Å; P44-Y95 HydrophobicContact CG-CD1 4.3Å; P44-Y95 HydrophobicContact CG-CE1 3.88Å; P44-L98 WeakPolarHBondContact O-CB 3.43Å; P44-L98 PolarHBondContact O-N 3.48Å; P44-L98 VanDerWaalsContact O-N 3.16Å
45	D	95.1	Very high	84.5	Confident	55 Å²	55	51.2 Å²	51.2	29%	0.294	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-1.3	173.2	66.1	-4.4	0	0	0	113.3	Q43 Q47 R72 Q97	Q43-D45 VanDerWaalsContact CB-OD1 3.29Å; Q43-D45 WeakPolarHBondContact CB-OD1 3.45Å; Q43-D45 PolarHBondContact O-N 3.16Å; D45-Q47 VanDerWaalsContact OD1-CB 3.27Å; D45-Q47 WeakPolarHBondContact OD1-CB 3.22Å; D45-Q47 WeakPolarHBondContact OD1-CG 3.34Å; D45-Q47 PolarHBondContact OD1-N 3.12Å; D45-Q47 WeakPolarHBondContact OD2-CG 3.48Å; D45-R72 VanDerWaalsContact O-CZ 3.24Å; D45-R72 PolarHBondContact O-NE 3.01Å; D45-R72 PolarHBondContact O-NH2 3.45Å; D45-Q97 HydrophobicContact CB-CB 4.24Å
46	G	94.5	Very high	82.6	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	85.3	4.3	-177.3	0	0	0	0	0	114.4	Q43 H73	Q43-G46 PolarHBondContact O-N 3.25Å; G46-H73 WeakPolarHBondContact CA-O 3.43Å; G46-H73 PolarHBondContact O-N 3.48Å
47	Q	93.2	Very high	80.4	Confident	77 Å²	77	58.6 Å²	58.6	36%	0.36	36%	0.357	S	S	.	.			trans	-79.3	144.6	174.7	-64	-67.5	-33.2	0	0	110.9	Q43 D45	Q43-Q47 WeakPolarHBondContact CB-O 3.35Å; Q43-Q47 WeakPolarHBondContact CG-O 3.44Å; Q43-Q47 PolarHBondContact N-O 3.47Å; D45-Q47 VanDerWaalsContact OD1-CB 3.27Å; D45-Q47 WeakPolarHBondContact OD1-CB 3.22Å; D45-Q47 WeakPolarHBondContact OD1-CG 3.34Å; D45-Q47 PolarHBondContact OD1-N 3.12Å; D45-Q47 WeakPolarHBondContact OD2-CG 3.48Å
48	M	88.3	Confident	78.3	Confident	25 Å²	25	64.9 Å²	64.9	12%	0.123	39%	0.391	C	S	.	.			trans	-126.2	86.2	172.3	-170.1	167.8	74.8	0	0	109.6	I42 A50 D51 F61	I42-M48 HydrophobicContact CG1-SD 4.1Å; M48-A50 PolarHBondContact O-N 3.46Å; M48-A50 VanDerWaalsContact O-N 3.11Å; M48-D51 HydrophobicContact CB-CB 4.02Å; M48-D51 HydrophobicContact CE-CB 3.36Å; M48-D51 WeakPolarHBondContact CE-OD2 3.09Å; M48-D51 HydrophobicContact CG-CB 4.01Å; M48-D51 WeakPolarHBondContact O-CB 3.5Å; M48-D51 PolarHBondContact O-N 3.11Å; M48-F61 HydrophobicContact CE-CD1 4.39Å; M48-F61 HydrophobicContact CE-CE1 3.55Å; M48-F61 HydrophobicContact CE-CZ 3.67Å; M48-F61 HydrophobicContact SD-CE1 4.42Å
49	P	77.6	Confident	76.9	Confident	112 Å²	112	63.6 Å²	63.6	73%	0.727	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.3	-171.4	-24.9	34.4	0	0	0	115.3	Q43 D51	Q43-P49 HydrophobicContact CG-CG 4.48Å; P49-D51 VanDerWaalsContact C-N 3.31Å
50	A	71.4	Confident	75.8	Confident	88 Å²	88	65 Å²	65	73%	0.727	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.9	177.1	0	0	0	0	0	113.1	M48 K52	M48-A50 PolarHBondContact O-N 3.46Å; M48-A50 VanDerWaalsContact O-N 3.11Å; A50-K52 PolarHBondContact O-N 3.25Å; A50-K52 VanDerWaalsContact O-N 3.17Å
51	D	69.2	Low	75	Confident	20 Å²	20	64.4 Å²	64.4	11%	0.107	39%	0.393	C	S	.	.			trans	-63	113	178.6	-166.9	-18.6	0	0	0	110.2	M48 P49 T53 L54 H73	M48-D51 HydrophobicContact CB-CB 4.02Å; M48-D51 HydrophobicContact CE-CB 3.36Å; M48-D51 WeakPolarHBondContact CE-OD2 3.09Å; M48-D51 HydrophobicContact CG-CB 4.01Å; M48-D51 WeakPolarHBondContact O-CB 3.5Å; M48-D51 PolarHBondContact O-N 3.11Å; P49-D51 VanDerWaalsContact C-N 3.31Å; D51-T53 WeakPolarHBondContact OD1-CA 3.44Å; D51-T53 PolarHBondContact OD1-N 3.36Å; D51-T53 PolarHBondContact OD1-OG1 3.49Å; D51-L54 PolarHBondContact OD1-N 3.04Å; D51-L54 VanDerWaalsContact OD1-N 3.07Å; D51-H73 IonicContact OD2-CE1 3.89Å; D51-H73 IonicContact OD2-NE2 3.24Å; D51-H73 PolarHBondContact OD2-NE2 2.7Å
52	K	65.2	Low	74.7	Confident	202 Å²	202	63.2 Å²	63.2	88%	0.878	38%	0.378	S	S	*	.			trans	-106.1	3.6	173.5	-66.9	-179.4	-177.7	175.5	0	111.6	A50	A50-K52 PolarHBondContact O-N 3.25Å; A50-K52 VanDerWaalsContact O-N 3.17Å
53	T	63.7	Low	74.5	Confident	45 Å²	45	63.5 Å²	63.5	28%	0.276	38%	0.38	S	S	.	.			trans	-118.6	10.6	-167.7	46.2	0	0	0	0	112.7	D51 G55 V56 D59	D51-T53 WeakPolarHBondContact OD1-CA 3.44Å; D51-T53 PolarHBondContact OD1-N 3.36Å; D51-T53 PolarHBondContact OD1-OG1 3.49Å; T53-G55 PolarHBondContact O-N 2.73Å; T53-V56 HydrophobicContact CG2-CG2 4.5Å; T53-V56 WeakPolarHBondContact O-CA 3.44Å; T53-V56 VanDerWaalsContact O-CB 3.24Å; T53-V56 WeakPolarHBondContact O-CB 2.93Å; T53-V56 WeakPolarHBondContact O-CG2 3.47Å; T53-V56 PolarHBondContact O-N 2.87Å; T53-D59 WeakPolarHBondContact CB-OD2 3.36Å; T53-D59 PolarHBondContact OG1-OD1 2.89Å; T53-D59 PolarHBondContact OG1-OD2 3.1Å
54	L	58	Low	74.5	Confident	100 Å²	100	59.1 Å²	59.1	52%	0.524	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-34.5	110.7	165.3	-75.5	155.3	0	0	0	112.1	D51 E67 G71	D51-L54 PolarHBondContact OD1-N 3.04Å; D51-L54 VanDerWaalsContact OD1-N 3.07Å; L54-E67 VanDerWaalsContact CD2-OE1 3.27Å; L54-E67 WeakPolarHBondContact CD2-OE1 3.21Å; L54-G71 VanDerWaalsContact CD2-CA 3.44Å
55	G	56.4	Low	74.4	Confident	71 Å²	71	57.3 Å²	57.3	73%	0.732	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	6.2	-178.8	0	0	0	0	0	117.1	T53	T53-G55 PolarHBondContact O-N 2.73Å
56	V	54.8	Low	74.3	Confident	79 Å²	79	56.1 Å²	56.1	48%	0.479	34%	0.343	S	S	.	.			trans	-90.1	123	170.9	-175.9	0	0	0	0	108.1	T53 D58	T53-V56 HydrophobicContact CG2-CG2 4.5Å; T53-V56 WeakPolarHBondContact O-CA 3.44Å; T53-V56 VanDerWaalsContact O-CB 3.24Å; T53-V56 WeakPolarHBondContact O-CB 2.93Å; T53-V56 WeakPolarHBondContact O-CG2 3.47Å; T53-V56 PolarHBondContact O-N 2.87Å; V56-D58 PolarHBondContact O-N 3.31Å
57	A	50	Low	74	Confident	82 Å²	82	59.3 Å²	59.3	68%	0.678	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-8.6	-169.2	0	0	0	0	0	115.7	Q13 D59	Q13-A57 PolarHBondContact NE2-O 3.5Å; Q13-A57 VanDerWaalsContact NE2-O 3.09Å; A57-D59 PolarHBondContact O-N 2.76Å
58	D	52.8	Low	73.7	Confident	134 Å²	134	57.9 Å²	57.9	72%	0.717	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	26.9	-164.4	-161	24.9	0	0	0	114.1	V56	V56-D58 PolarHBondContact O-N 3.31Å
59	D	63.8	Low	73.4	Confident	32 Å²	32	61.2 Å²	61.2	17%	0.171	40%	0.396	C	S	.	.			trans	-96	118.8	-177.9	-81.7	-22.6	0	0	0	112.4	T53 A57 F61 N62	T53-D59 WeakPolarHBondContact CB-OD2 3.36Å; T53-D59 PolarHBondContact OG1-OD1 2.89Å; T53-D59 PolarHBondContact OG1-OD2 3.1Å; A57-D59 PolarHBondContact O-N 2.76Å; D59-F61 HydrophobicContact CB-CD1 3.92Å; D59-F61 HydrophobicContact CB-CD2 4.22Å; D59-F61 HydrophobicContact CB-CE1 3.35Å; D59-F61 HydrophobicContact CB-CE2 3.65Å; D59-F61 HydrophobicContact CB-CG 4.34Å; D59-F61 HydrophobicContact CB-CZ 3.23Å; D59-F61 PolarHBondContact O-N 3.25Å; D59-F61 VanDerWaalsContact O-N 3.1Å; D59-F61 WeakPolarHBondContact OD2-CE1 3.36Å; D59-F61 WeakPolarHBondContact OD2-CZ 3.43Å; D59-N62 WeakPolarHBondContact O-CB 3.11Å; D59-N62 PolarHBondContact O-N 3.43Å; D59-N62 PolarHBondContact O-ND2 3.41Å
60	S	70	Confident	73.8	Confident	46 Å²	46	61.3 Å²	61.3	32%	0.322	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-63	-15.6	-174.5	70.3	0	0	0	0	114.7	T63 R255	S60-T63 PolarHBondContact O-OG1 2.86Å; S60-R255 WeakPolarHBondContact CB-O 2.98Å; S60-R255 WeakPolarHBondContact O-CA 3.02Å; S60-R255 PolarHBondContact OG-O 3.05Å
61	F	75.6	Confident	74.4	Confident	12 Å²	12	57.6 Å²	57.6	5%	0.053	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-77.8	-19.1	173.7	51.5	-103	0	0	0	113.7	M48 D59 T63 F64 F65 H73	M48-F61 HydrophobicContact CE-CD1 4.39Å; M48-F61 HydrophobicContact CE-CE1 3.55Å; M48-F61 HydrophobicContact CE-CZ 3.67Å; M48-F61 HydrophobicContact SD-CE1 4.42Å; D59-F61 HydrophobicContact CB-CD1 3.92Å; D59-F61 HydrophobicContact CB-CD2 4.22Å; D59-F61 HydrophobicContact CB-CE1 3.35Å; D59-F61 HydrophobicContact CB-CE2 3.65Å; D59-F61 HydrophobicContact CB-CG 4.34Å; D59-F61 HydrophobicContact CB-CZ 3.23Å; D59-F61 PolarHBondContact O-N 3.25Å; D59-F61 VanDerWaalsContact O-N 3.1Å; D59-F61 WeakPolarHBondContact OD2-CE1 3.36Å; D59-F61 WeakPolarHBondContact OD2-CZ 3.43Å; F61-T63 PolarHBondContact O-N 3.34Å; F61-T63 VanDerWaalsContact O-N 3.08Å; F61-F64 PolarHBondContact O-N 3.45Å; F61-F64 VanDerWaalsContact O-N 3.07Å; F61-F65 HydrophobicContact CB-CD2 4.26Å; F61-F65 WeakPolarHBondContact O-CD2 3.33Å; F61-F65 PolarHBondContact O-N 2.67Å; F61-H73 AromaticContact CD2-CE1 3.86Å; F61-H73 AromaticContact CD2-ND1 3.82Å; F61-H73 AromaticContact CE2-CE1 3.15Å; F61-H73 WeakPolarHBondContact CE2-CE1 3.48Å; F61-H73 AromaticContact CE2-ND1 3.58Å; F61-H73 AromaticContact CZ-CE1 3.72Å
62	N	84.7	Confident	75.5	Confident	13 Å²	13	59.9 Å²	59.9	7%	0.07	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-63.9	-17.4	-179.7	-73.9	-40.4	0	0	0	113.9	D59 F64 F65 R76	D59-N62 WeakPolarHBondContact O-CB 3.11Å; D59-N62 PolarHBondContact O-N 3.43Å; D59-N62 PolarHBondContact O-ND2 3.41Å; N62-F64 PolarHBondContact O-N 2.97Å; N62-F65 CarbonylContact C-O 3.59Å; N62-F65 VanDerWaalsContact CA-O 3.32Å; N62-F65 WeakPolarHBondContact CA-O 3.36Å; N62-R76 PolarHBondContact O-NE 2.74Å; N62-R76 VanDerWaalsContact O-NE 3.15Å
63	T	89.7	Confident	76.8	Confident	11 Å²	11	50.2 Å²	50.2	7%	0.067	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-53.9	-41.9	170.7	-56.4	0	0	0	0	111.7	R14 E15 V16 S60 F61 L254	R14-T63 VanDerWaalsContact O-CG2 3.23Å; R14-T63 WeakPolarHBondContact O-CG2 3.44Å; E15-T63 WeakPolarHBondContact CA-O 3.42Å; V16-T63 HydrophobicContact CG2-CG2 4.19Å; V16-T63 PolarHBondContact N-O 2.82Å; S60-T63 PolarHBondContact O-OG1 2.86Å; F61-T63 PolarHBondContact O-N 3.34Å; F61-T63 VanDerWaalsContact O-N 3.08Å; T63-L254 WeakPolarHBondContact CB-O 3.46Å; T63-L254 HydrophobicContact CG2-CB 3.82Å; T63-L254 PolarHBondContact OG1-O 3.38Å
64	F	94.4	Very high	78.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-12.3	-175.4	-72.3	-83.5	0	0	0	113.9	V16 W33 Y36 F61 N62 P75 R76 L148 T251 L254 R255	V16-F64 HydrophobicContact CB-CD1 4.24Å; V16-F64 HydrophobicContact CB-CE1 3.69Å; V16-F64 HydrophobicContact CB-CZ 3.98Å; V16-F64 HydrophobicContact CG1-CE1 3.76Å; V16-F64 HydrophobicContact CG1-CZ 4.2Å; V16-F64 HydrophobicContact CG2-CE1 4.45Å; V16-F64 HydrophobicContact CG2-CZ 4.24Å; W33-F64 HydrophobicContact CH2-CB 3.94Å; W33-F64 HydrophobicContact CH2-CD1 4.3Å; W33-F64 WeakPolarHBondContact CH2-O 3.47Å; W33-F64 HydrophobicContact CZ3-CB 4.07Å; Y36-F64 HydrophobicContact CE2-CD1 4.17Å; Y36-F64 HydrophobicContact CE2-CG 4.2Å; F61-F64 PolarHBondContact O-N 3.45Å; F61-F64 VanDerWaalsContact O-N 3.07Å; N62-F64 PolarHBondContact O-N 2.97Å; F64-P75 CarbonylContact O-C 3.6Å; F64-R76 PolarHBondContact O-N 3.45Å; F64-L148 HydrophobicContact CE1-CD1 3.71Å; F64-L148 HydrophobicContact CZ-CD1 4.03Å; F64-T251 HydrophobicContact CE1-CG2 4.34Å; F64-T251 HydrophobicContact CE2-CG2 4.24Å; F64-T251 HydrophobicContact CZ-CG2 3.6Å; F64-L254 HydrophobicContact CE2-CB 4.25Å; F64-L254 HydrophobicContact CE2-CD1 4.45Å; F64-L254 HydrophobicContact CZ-CD1 4.33Å; F64-R255 HydrophobicContact CD2-CG 3.45Å; F64-R255 VanDerWaalsContact CD2-CG 3.45Å; F64-R255 HydrophobicContact CE2-CG 3.56Å
65	F	94.3	Very high	80.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	148.1	175.9	-64.3	-94.1	0	0	0	110.2	W33 I42 F61 N62 H73 V74 P75 R76 L98	W33-F65 HydrophobicContact CE3-CE1 4.08Å; W33-F65 HydrophobicContact CE3-CE2 4.39Å; W33-F65 AromaticContact CE3-CZ 3.74Å; W33-F65 HydrophobicContact CE3-CZ 3.74Å; W33-F65 HydrophobicContact CZ3-CD2 4.47Å; W33-F65 AromaticContact CZ3-CE1 4Å; W33-F65 HydrophobicContact CZ3-CE1 4Å; W33-F65 AromaticContact CZ3-CE2 3.95Å; W33-F65 HydrophobicContact CZ3-CE2 3.95Å; W33-F65 AromaticContact CZ3-CZ 3.69Å; W33-F65 HydrophobicContact CZ3-CZ 3.69Å; I42-F65 HydrophobicContact CD1-CD1 3.98Å; I42-F65 HydrophobicContact CD1-CD2 4Å; I42-F65 HydrophobicContact CD1-CE1 3.84Å; I42-F65 HydrophobicContact CD1-CE2 3.87Å; I42-F65 HydrophobicContact CD1-CG 4.07Å; I42-F65 HydrophobicContact CD1-CZ 3.78Å; F61-F65 HydrophobicContact CB-CD2 4.26Å; F61-F65 WeakPolarHBondContact O-CD2 3.33Å; F61-F65 PolarHBondContact O-N 2.67Å; N62-F65 CarbonylContact C-O 3.59Å; N62-F65 VanDerWaalsContact CA-O 3.32Å; N62-F65 WeakPolarHBondContact CA-O 3.36Å; F65-H73 HydrophobicContact CB-CB 4.27Å; F65-H73 HydrophobicContact CD1-CB 4.11Å; F65-H73 HydrophobicContact CG-CB 4.43Å; F65-V74 CarbonylContact C-O 3.5Å; F65-V74 WeakPolarHBondContact CA-O 3.39Å; F65-P75 HydrophobicContact CD1-CG 4.1Å; F65-P75 HydrophobicContact CE1-CG 3.79Å; F65-R76 PolarHBondContact O-NE 3.21Å; F65-R76 PolarHBondContact O-NH2 2.86Å; F65-L98 HydrophobicContact CE1-CD1 4.37Å
66	S	92.2	Very high	82.1	Confident	29 Å²	29	41 Å²	41	20%	0.203	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.8	163.3	58.5	0	0	0	0	109.3	V74	S66-V74 PolarHBondContact N-O 2.71Å; S66-V74 PolarHBondContact O-N 3.48Å; S66-V74 PolarHBondContact OG-O 2.82Å
67	E	88.1	Confident	84.2	Confident	67 Å²	67	37.2 Å²	37.2	31%	0.313	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	128.4	172.2	-162.5	-168.2	151.7	0	0	109.5	L54	L54-E67 VanDerWaalsContact CD2-OE1 3.27Å; L54-E67 WeakPolarHBondContact CD2-OE1 3.21Å
68	T	87.6	Confident	86.5	Confident	47 Å²	47	33.3 Å²	33.3	29%	0.288	21%	0.207	S	C	.	.			trans	-86.4	161.8	172.6	61.5	0	0	0	0	110.7	T70 G71 R72 V74	T68-T70 PolarHBondContact O-N 2.7Å; T68-T70 PolarHBondContact OG1-OG1 3.33Å; T68-G71 PolarHBondContact O-N 3.2Å; T68-R72 PolarHBondContact N-O 3.3Å; T68-R72 VanDerWaalsContact OG1-CB 3.29Å; T68-R72 WeakPolarHBondContact OG1-CB 3.37Å; T68-R72 PolarHBondContact OG1-N 2.96Å; T68-R72 PolarHBondContact OG1-O 3.22Å; T68-V74 HydrophobicContact CG2-CG2 3.75Å
69	G	82.8	Confident	88.7	Confident	95 Å²	95	26.9 Å²	26.9	98%	0.979	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-10	177.9	0	0	0	0	0	115.7
70	T	84.7	Confident	90.4	Very high	115 Å²	115	25.4 Å²	25.4	71%	0.706	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	9	172.4	55.5	0	0	0	0	113.5	T68 R72	T68-T70 PolarHBondContact O-N 2.7Å; T68-T70 PolarHBondContact OG1-OG1 3.33Å; T70-R72 VanDerWaalsContact C-N 3.3Å; T70-R72 PolarHBondContact O-N 3.18Å
71	G	85.3	Confident	91.7	Very high	10 Å²	10	23.5 Å²	23.5	10%	0.103	15%	0.151	C	C	.	.	S	Bend	trans	75	18	-177.9	0	0	0	0	0	114.3	L54 T68	L54-G71 VanDerWaalsContact CD2-CA 3.44Å; T68-G71 PolarHBondContact O-N 3.2Å
72	R	91.1	Very high	92.8	Very high	67 Å²	67	22.9 Å²	22.9	25%	0.253	15%	0.148	S	C	.	.			trans	-96.6	132.1	-178.7	174.2	-171.7	-160.5	-145.2	-5.1	110	D45 T68 T70 V74 Q97	D45-R72 VanDerWaalsContact O-CZ 3.24Å; D45-R72 PolarHBondContact O-NE 3.01Å; D45-R72 PolarHBondContact O-NH2 3.45Å; T68-R72 PolarHBondContact N-O 3.3Å; T68-R72 VanDerWaalsContact OG1-CB 3.29Å; T68-R72 WeakPolarHBondContact OG1-CB 3.37Å; T68-R72 PolarHBondContact OG1-N 2.96Å; T68-R72 PolarHBondContact OG1-O 3.22Å; T70-R72 VanDerWaalsContact C-N 3.3Å; T70-R72 PolarHBondContact O-N 3.18Å; R72-V74 HydrophobicContact CG-CG2 4.42Å; R72-Q97 PolarHBondContact NH2-O 2.91Å
73	H	92.7	Very high	93.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121.9	179.7	-63.5	-72.3	0	0	0	110.5	I42 G46 D51 F61 F65	I42-H73 HydrophobicContact CD1-CB 4Å; I42-H73 HydrophobicContact CG2-CB 4.34Å; G46-H73 WeakPolarHBondContact CA-O 3.43Å; G46-H73 PolarHBondContact O-N 3.48Å; D51-H73 IonicContact OD2-CE1 3.89Å; D51-H73 IonicContact OD2-NE2 3.24Å; D51-H73 PolarHBondContact OD2-NE2 2.7Å; F61-H73 AromaticContact CD2-CE1 3.86Å; F61-H73 AromaticContact CD2-ND1 3.82Å; F61-H73 AromaticContact CE2-CE1 3.15Å; F61-H73 WeakPolarHBondContact CE2-CE1 3.48Å; F61-H73 AromaticContact CE2-ND1 3.58Å; F61-H73 AromaticContact CZ-CE1 3.72Å; F65-H73 HydrophobicContact CB-CB 4.27Å; F65-H73 HydrophobicContact CD1-CB 4.11Å; F65-H73 HydrophobicContact CG-CB 4.43Å
74	V	95.8	Very high	93.6	Very high	9 Å²	9	26.5 Å²	26.5	6%	0.055	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.2	-178.2	-179.6	0	0	0	0	108.9	F65 S66 T68 R72 R76 H100	F65-V74 CarbonylContact C-O 3.5Å; F65-V74 WeakPolarHBondContact CA-O 3.39Å; S66-V74 PolarHBondContact N-O 2.71Å; S66-V74 PolarHBondContact O-N 3.48Å; S66-V74 PolarHBondContact OG-O 2.82Å; T68-V74 HydrophobicContact CG2-CG2 3.75Å; R72-V74 HydrophobicContact CG-CG2 4.42Å; V74-R76 PolarHBondContact O-N 2.84Å; V74-H100 HydrophobicContact CG1-CB 4.11Å
75	P	97.5	Very high	93.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	139.2	176	-32.3	39.4	0	0	0	113.6	W33 F64 F65 A77 L98 F99 Q103	W33-P75 HydrophobicContact CD2-CB 4.03Å; W33-P75 HydrophobicContact CD2-CG 4.15Å; W33-P75 HydrophobicContact CE3-CB 3.77Å; W33-P75 HydrophobicContact CE3-CG 3.77Å; W33-P75 HydrophobicContact CH2-CB 3.67Å; W33-P75 HydrophobicContact CZ2-CB 3.93Å; W33-P75 HydrophobicContact CZ3-CB 3.57Å; W33-P75 HydrophobicContact CZ3-CG 3.96Å; F64-P75 CarbonylContact O-C 3.6Å; F65-P75 HydrophobicContact CD1-CG 4.1Å; F65-P75 HydrophobicContact CE1-CG 3.79Å; P75-A77 HydrophobicContact CB-CB 3.78Å; P75-A77 PolarHBondContact O-N 3.48Å; P75-L98 WeakPolarHBondContact CD-O 3.5Å; P75-L98 HydrophobicContact CG-CD1 4.21Å; P75-L98 HydrophobicContact CG-CD2 3.74Å; P75-L98 HydrophobicContact CG-CG 3.65Å; P75-F99 HydrophobicContact CB-CD1 3.95Å; P75-F99 HydrophobicContact CB-CE1 3.97Å; P75-F99 HydrophobicContact CG-CD1 3.74Å; P75-F99 HydrophobicContact CG-CE1 3.67Å; P75-Q103 PolarHBondContact O-OE1 2.94Å
76	R	97.2	Very high	93.8	Very high	12 Å²	12	29.9 Å²	29.9	5%	0.045	19%	0.191	C	C	.	.	S	Bend	trans	-79.3	61.9	163.6	-61.8	-179.6	-169.4	-88.9	-0.8	108.6	I17 S18 N62 F64 F65 V74 N140 C141	I17-R76 WeakPolarHBondContact CA-O 3.25Å; S18-R76 PolarHBondContact N-O 3Å; N62-R76 PolarHBondContact O-NE 2.74Å; N62-R76 VanDerWaalsContact O-NE 3.15Å; F64-R76 PolarHBondContact O-N 3.45Å; F65-R76 PolarHBondContact O-NE 3.21Å; F65-R76 PolarHBondContact O-NH2 2.86Å; V74-R76 PolarHBondContact O-N 2.84Å; R76-N140 PolarHBondContact NH1-O 2.84Å; R76-N140 VanDerWaalsContact NH1-O 3.08Å; R76-C141 PolarHBondContact NH1-SG 3.32Å; R76-C141 VanDerWaalsContact NH1-SG 3.4Å
77	A	98.3	Very high	94.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	151.7	-173	0	0	0	0	0	111.2	S18 W33 P75 F79 Q103	S18-A77 CarbonylContact O-C 3.59Å; S18-A77 VanDerWaalsContact O-CA 3.22Å; S18-A77 WeakPolarHBondContact O-CA 3.39Å; W33-A77 HydrophobicContact CH2-CB 4.39Å; W33-A77 HydrophobicContact CZ2-CB 3.52Å; P75-A77 HydrophobicContact CB-CB 3.78Å; P75-A77 PolarHBondContact O-N 3.48Å; A77-F79 HydrophobicContact CB-CD2 4.39Å; A77-F79 HydrophobicContact CB-CE2 3.82Å; A77-Q103 VanDerWaalsContact O-CB 3.27Å; A77-Q103 WeakPolarHBondContact O-CB 3.46Å; A77-Q103 VanDerWaalsContact O-CG 3.31Å; A77-Q103 WeakPolarHBondContact O-CG 3.48Å; A77-Q103 PolarHBondContact O-OE1 2.77Å
78	I	98.6	Very high	94.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.5	164.6	-58.4	-179	0	0	0	107.6	S18 H20 V80 I105 R133 I134 L137	S18-I78 PolarHBondContact O-N 3.44Å; H20-I78 PolarHBondContact N-O 2.93Å; I78-V80 HydrophobicContact CG2-CG2 3.61Å; I78-I105 HydrophobicContact CG2-CD1 3.82Å; I78-R133 HydrophobicContact CD1-CB 3.92Å; I78-I134 HydrophobicContact CD1-CB 4.15Å; I78-I134 HydrophobicContact CD1-CD1 4.35Å; I78-I134 HydrophobicContact CD1-CG1 3.25Å; I78-L137 HydrophobicContact CD1-CD1 3.94Å; I78-L137 HydrophobicContact CG1-CD1 3.59Å
79	F	98.8	Very high	95	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.4	172.7	-67	-100.6	0	0	0	108.1	H20 V26 W33 A77 I87 F99 Q103 L104 I105	H20-F79 HydrophobicContact CB-CD1 3.56Å; H20-F79 HydrophobicContact CB-CE1 3.85Å; H20-F79 HydrophobicContact CB-CG 4.14Å; H20-F79 AromaticContact CD2-CE1 3.78Å; H20-F79 AromaticContact CD2-CE2 3.95Å; H20-F79 AromaticContact CD2-CZ 3.69Å; H20-F79 AromaticContact CG-CD1 3.97Å; H20-F79 AromaticContact CG-CE1 3.74Å; H20-F79 WeakPolarHBondContact O-CA 3.27Å; V26-F79 HydrophobicContact CB-CD1 4.16Å; V26-F79 HydrophobicContact CG1-CD1 3.83Å; V26-F79 HydrophobicContact CG1-CE1 4.41Å; V26-F79 HydrophobicContact CG2-CB 4.38Å; V26-F79 HydrophobicContact CG2-CD1 4.07Å; W33-F79 AromaticContact CD1-CZ 3.61Å; W33-F79 AromaticContact NE1-CZ 3.78Å; A77-F79 HydrophobicContact CB-CD2 4.39Å; A77-F79 HydrophobicContact CB-CE2 3.82Å; F79-I87 HydrophobicContact CB-CD1 3.69Å; F79-F99 HydrophobicContact CD2-CD1 4.34Å; F79-F99 HydrophobicContact CD2-CE1 4.49Å; F79-F99 AromaticContact CE2-CD1 3.54Å; F79-F99 HydrophobicContact CE2-CD1 3.54Å; F79-F99 AromaticContact CE2-CE1 3.35Å; F79-F99 HydrophobicContact CE2-CE1 3.35Å; F79-F99 HydrophobicContact CE2-CE2 4.49Å; F79-F99 HydrophobicContact CE2-CG 4.21Å; F79-F99 AromaticContact CE2-CZ 3.87Å; F79-F99 HydrophobicContact CE2-CZ 3.87Å; F79-F99 HydrophobicContact CZ-CD1 4.28Å; F79-F99 AromaticContact CZ-CE1 3.66Å; F79-F99 HydrophobicContact CZ-CE1 3.66Å; F79-F99 HydrophobicContact CZ-CE2 4.44Å; F79-F99 AromaticContact CZ-CZ 3.74Å; F79-F99 HydrophobicContact CZ-CZ 3.74Å; F79-Q103 PolarHBondContact N-O 3.14Å; F79-L104 HydrophobicContact CB-CD2 3.82Å; F79-L104 HydrophobicContact CD2-CD2 3.63Å; F79-L104 HydrophobicContact CE2-CD2 4.44Å; F79-L104 HydrophobicContact CG-CD2 3.9Å; F79-I105 PolarHBondContact O-N 3.36Å
80	V	98.5	Very high	95.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.4	-178.1	-168.1	0	0	0	0	109.3	H20 V21 G22 I78 I105 V130 F161	H20-V80 PolarHBondContact O-N 3.28Å; V21-V80 WeakPolarHBondContact CA-O 3.47Å; G22-V80 PolarHBondContact N-O 3.08Å; I78-V80 HydrophobicContact CG2-CG2 3.61Å; V80-I105 WeakPolarHBondContact CA-O 3.3Å; V80-I105 HydrophobicContact CG1-CG2 4.39Å; V80-I105 HydrophobicContact CG2-CB 4.36Å; V80-I105 HydrophobicContact CG2-CD1 4.45Å; V80-V130 HydrophobicContact CB-CG2 4.49Å; V80-V130 HydrophobicContact CG1-CG2 3.84Å; V80-V130 HydrophobicContact CG2-CG1 3.95Å; V80-V130 HydrophobicContact CG2-CG2 3.77Å; V80-F161 HydrophobicContact CB-CE1 4.23Å; V80-F161 HydrophobicContact CG1-CD1 4.25Å; V80-F161 HydrophobicContact CG1-CE1 3.67Å; V80-F161 HydrophobicContact CG1-CZ 4.18Å
81	D	98.2	Very high	96.3	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.032	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	157	158.3	-152.4	-30.3	0	0	0	109.7	G22 Q23 V86 I87 I105 N106 G107 T157	G22-D81 VanDerWaalsContact C-OD2 3.25Å; G22-D81 WeakPolarHBondContact CA-OD2 3.24Å; Q23-D81 PolarHBondContact N-OD2 3.41Å; D81-V86 HydrophobicContact CB-CG1 3.85Å; D81-V86 VanDerWaalsContact OD2-CG1 3.23Å; D81-V86 WeakPolarHBondContact OD2-CG1 3.3Å; D81-I87 HydrophobicContact CB-CD1 4.36Å; D81-I87 HydrophobicContact CB-CG1 3.93Å; D81-I105 PolarHBondContact N-O 3.08Å; D81-N106 CarbonylContact O-C 3.58Å; D81-N106 WeakPolarHBondContact O-CA 3.28Å; D81-G107 PolarHBondContact O-N 3.15Å; D81-G107 VanDerWaalsContact O-N 3.07Å; D81-T157 PolarHBondContact OD1-OG1 3.32Å
82	L	97.8	Very high	96.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-78.7	-15.4	178	-61.6	-178.7	0	0	0	111.9	G107 K108 E109 A111 I122 I126 T157 F161	L82-G107 CarbonylContact O-C 3.44Å; L82-G107 WeakPolarHBondContact O-CA 3.36Å; L82-G107 PolarHBondContact O-N 3.47Å; L82-K108 PolarHBondContact O-N 2.86Å; L82-E109 CarbonylContact C-O 3.43Å; L82-E109 VanDerWaalsContact C-O 3.27Å; L82-E109 WeakPolarHBondContact CB-O 3.29Å; L82-E109 CarbonylContact O-C 3.47Å; L82-E109 PolarHBondContact O-N 3.35Å; L82-A111 HydrophobicContact CD1-CB 4.09Å; L82-I122 HydrophobicContact CB-CG2 4.13Å; L82-I122 HydrophobicContact CD1-CB 4.22Å; L82-I122 HydrophobicContact CD1-CG2 4.04Å; L82-I122 HydrophobicContact CD2-CG2 4.25Å; L82-I122 HydrophobicContact CG-CG2 4.35Å; L82-I126 HydrophobicContact CD2-CG2 3.51Å; L82-T157 HydrophobicContact CD1-CG2 4.35Å; L82-T157 HydrophobicContact CG-CG2 3.85Å; L82-F161 HydrophobicContact CD1-CB 4.47Å; L82-F161 HydrophobicContact CD2-CD2 4.39Å
83	E	95.4	Very high	97.1	Very high	53 Å²	53	27.9 Å²	27.9	25%	0.248	16%	0.155	C	C	.	.	S	Bend	trans	-121.4	161.1	172.6	66.7	144.7	154.4	0	0	112.5	S85 D110	E83-S85 WeakPolarHBondContact OE2-CB 3.26Å; E83-S85 PolarHBondContact OE2-OG 3.11Å; E83-D110 HydrophobicContact CB-CB 3.83Å; E83-D110 HydrophobicContact CG-CB 3.97Å
84	P	96.4	Very high	97.3	Very high	47 Å²	47	33.3 Å²	33.3	31%	0.305	19%	0.188	S	C	.	.	S	Bend	trans	-78	-23.2	-170.7	28.7	-35.1	0	0	0	115	V86 I87 D88	P84-V86 PolarHBondContact O-N 2.88Å; P84-I87 PolarHBondContact O-N 3.24Å; P84-I87 VanDerWaalsContact O-N 3.13Å; P84-D88 WeakPolarHBondContact O-CB 3.32Å; P84-D88 PolarHBondContact O-N 2.8Å
85	S	96	Very high	97.3	Very high	64 Å²	64	33.7 Å²	33.7	45%	0.448	19%	0.189	S	C	.	.	H	α-helix	trans	-48.9	-60.9	-163.2	-58.6	0	0	0	0	114.3	E83 I87 D88 E89	E83-S85 WeakPolarHBondContact OE2-CB 3.26Å; E83-S85 PolarHBondContact OE2-OG 3.11Å; S85-I87 VanDerWaalsContact C-N 3.35Å; S85-I87 PolarHBondContact O-N 3.46Å; S85-D88 PolarHBondContact O-N 2.6Å; S85-E89 PolarHBondContact O-N 3.37Å
86	V	96.6	Very high	97.3	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.036	22%	0.215	C	C	.	.	H	α-helix	trans	-72.2	-28.3	-176.2	74.8	0	0	0	0	113	Q23 V26 Q27 D81 P84 E89 V90	Q23-V86 HydrophobicContact CG-CG2 4.29Å; V26-V86 HydrophobicContact CB-CG1 3.92Å; V26-V86 HydrophobicContact CB-CG2 3.85Å; V26-V86 HydrophobicContact CG1-CB 4.28Å; V26-V86 HydrophobicContact CG1-CG1 3.95Å; V26-V86 HydrophobicContact CG1-CG2 3.59Å; V26-V86 HydrophobicContact CG2-CG1 3.95Å; Q27-V86 HydrophobicContact CG-CG2 3.72Å; D81-V86 HydrophobicContact CB-CG1 3.85Å; D81-V86 VanDerWaalsContact OD2-CG1 3.23Å; D81-V86 WeakPolarHBondContact OD2-CG1 3.3Å; P84-V86 PolarHBondContact O-N 2.88Å; V86-E89 WeakPolarHBondContact O-CB 3.44Å; V86-E89 PolarHBondContact O-N 3.15Å; V86-V90 PolarHBondContact O-N 3.28Å
87	I	98.2	Very high	97.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-73.3	-36.6	177.4	-60	-64.8	0	0	0	110.1	V26 F79 D81 P84 S85 E89 V90 R91 L104 N106	V26-I87 HydrophobicContact CG1-CD1 4.23Å; V26-I87 HydrophobicContact CG2-CD1 3.69Å; F79-I87 HydrophobicContact CB-CD1 3.69Å; D81-I87 HydrophobicContact CB-CD1 4.36Å; D81-I87 HydrophobicContact CB-CG1 3.93Å; P84-I87 PolarHBondContact O-N 3.24Å; P84-I87 VanDerWaalsContact O-N 3.13Å; S85-I87 VanDerWaalsContact C-N 3.35Å; S85-I87 PolarHBondContact O-N 3.46Å; I87-E89 VanDerWaalsContact C-N 3.29Å; I87-E89 PolarHBondContact O-N 3.37Å; I87-V90 WeakPolarHBondContact O-CB 3.46Å; I87-V90 PolarHBondContact O-N 2.89Å; I87-V90 VanDerWaalsContact O-N 3.12Å; I87-R91 WeakPolarHBondContact O-CG 3.49Å; I87-R91 PolarHBondContact O-N 2.97Å; I87-L104 HydrophobicContact CG2-CB 3.93Å; I87-N106 HydrophobicContact CB-CB 4.36Å; I87-N106 WeakPolarHBondContact CB-ND2 3.23Å; I87-N106 HydrophobicContact CG1-CB 4.15Å; I87-N106 WeakPolarHBondContact CG2-ND2 3.23Å
88	D	97.8	Very high	97.2	Very high	64 Å²	64	45.1 Å²	45.1	34%	0.342	24%	0.236	S	C	.	.	H	α-helix	trans	-67.2	-30.3	175.3	-76.2	-11.3	0	0	0	112.1	P84 S85 V90 R91 T92	P84-D88 WeakPolarHBondContact O-CB 3.32Å; P84-D88 PolarHBondContact O-N 2.8Å; S85-D88 PolarHBondContact O-N 2.6Å; D88-V90 VanDerWaalsContact C-N 3.31Å; D88-V90 PolarHBondContact O-N 3.36Å; D88-R91 PolarHBondContact O-N 2.81Å; D88-R91 WeakPolarHBondContact OD1-CD 3.36Å; D88-R91 IonicContact OD1-CZ 3.19Å; D88-R91 IonicContact OD1-NE 3Å; D88-R91 IonicContact OD1-NH1 3.7Å; D88-R91 PolarHBondContact OD1-NH1 3.04Å; D88-T92 WeakPolarHBondContact O-CB 2.94Å; D88-T92 WeakPolarHBondContact O-CG2 3.47Å; D88-T92 PolarHBondContact O-N 2.69Å; D88-T92 PolarHBondContact O-OG1 3.07Å
89	E	97.4	Very high	97.1	Very high	104 Å²	104	45.3 Å²	45.3	49%	0.486	24%	0.237	S	C	.	.	H	α-helix	trans	-59.3	-41.3	168.5	-66.8	178	-176.8	0	0	111.5	S85 V86 I87 T92 G93	S85-E89 PolarHBondContact O-N 3.37Å; V86-E89 WeakPolarHBondContact O-CB 3.44Å; V86-E89 PolarHBondContact O-N 3.15Å; I87-E89 VanDerWaalsContact C-N 3.29Å; I87-E89 PolarHBondContact O-N 3.37Å; E89-T92 PolarHBondContact O-N 2.92Å; E89-T92 PolarHBondContact O-OG1 3.08Å; E89-G93 WeakPolarHBondContact O-CA 3.43Å; E89-G93 PolarHBondContact O-N 3.08Å
90	V	97.7	Very high	97	Very high	4 Å²	4	49 Å²	49	2%	0.024	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-43.5	174.9	-177.6	0	0	0	0	110.8	V26 V86 I87 D88 T92 G93 R96 F99 L104	V26-V90 HydrophobicContact CG1-CG2 3.74Å; V86-V90 PolarHBondContact O-N 3.28Å; I87-V90 WeakPolarHBondContact O-CB 3.46Å; I87-V90 PolarHBondContact O-N 2.89Å; I87-V90 VanDerWaalsContact O-N 3.12Å; D88-V90 VanDerWaalsContact C-N 3.31Å; D88-V90 PolarHBondContact O-N 3.36Å; V90-T92 PolarHBondContact O-N 3.09Å; V90-G93 PolarHBondContact O-N 2.82Å; V90-R96 VanDerWaalsContact O-CA 3.31Å; V90-R96 WeakPolarHBondContact O-CA 3.32Å; V90-R96 WeakPolarHBondContact O-CB 3.39Å; V90-F99 HydrophobicContact CG1-CD2 3.59Å; V90-F99 HydrophobicContact CG1-CE2 3.76Å; V90-L104 HydrophobicContact CG1-CD1 4.14Å; V90-L104 HydrophobicContact CG1-CD2 3.95Å
91	R	97.4	Very high	96.9	Very high	88 Å²	88	53.7 Å²	53.7	33%	0.332	29%	0.285	S	S	.	.	H	α-helix	trans	-65.7	-22.8	179.2	-67.9	173.2	-177	156.6	-0.3	113.8	I87 D88 R96 L104 N106	I87-R91 WeakPolarHBondContact O-CG 3.49Å; I87-R91 PolarHBondContact O-N 2.97Å; D88-R91 PolarHBondContact O-N 2.81Å; D88-R91 WeakPolarHBondContact OD1-CD 3.36Å; D88-R91 IonicContact OD1-CZ 3.19Å; D88-R91 IonicContact OD1-NE 3Å; D88-R91 IonicContact OD1-NH1 3.7Å; D88-R91 PolarHBondContact OD1-NH1 3.04Å; R91-R96 WeakPolarHBondContact O-CB 3.47Å; R91-L104 HydrophobicContact CG-CD1 3.65Å; R91-L104 PolarHBondContact NH2-O 3.08Å; R91-N106 VanDerWaalsContact CZ-ND2 3.25Å; R91-N106 PolarHBondContact NH1-ND2 3.48Å; R91-N106 PolarHBondContact NH2-ND2 3.03Å; R91-N106 VanDerWaalsContact NH2-ND2 3.11Å
92	T	97.1	Very high	96.8	Very high	103 Å²	103	58 Å²	58	63%	0.632	30%	0.304	S	S	*	.	H	α-helix	trans	-108	-13.6	-179	57.9	0	0	0	0	113.4	D88 E89 V90	D88-T92 WeakPolarHBondContact O-CB 2.94Å; D88-T92 WeakPolarHBondContact O-CG2 3.47Å; D88-T92 PolarHBondContact O-N 2.69Å; D88-T92 PolarHBondContact O-OG1 3.07Å; E89-T92 PolarHBondContact O-N 2.92Å; E89-T92 PolarHBondContact O-OG1 3.08Å; V90-T92 PolarHBondContact O-N 3.09Å
93	G	96.1	Very high	96.8	Very high	26 Å²	26	58.8 Å²	58.8	27%	0.268	31%	0.308	S	S	.	.	S	Bend	trans	-74.9	-179	-178	0	0	0	0	0	115.2	E89 V90 Y95 R96	E89-G93 WeakPolarHBondContact O-CA 3.43Å; E89-G93 PolarHBondContact O-N 3.08Å; V90-G93 PolarHBondContact O-N 2.82Å; G93-Y95 VanDerWaalsContact C-N 3.27Å; G93-Y95 PolarHBondContact O-N 2.94Å; G93-R96 VanDerWaalsContact O-CB 3.26Å; G93-R96 WeakPolarHBondContact O-CB 3.42Å; G93-R96 VanDerWaalsContact O-CG 3.29Å; G93-R96 WeakPolarHBondContact O-CG 3.33Å; G93-R96 PolarHBondContact O-N 3.31Å; G93-R96 VanDerWaalsContact O-N 3.12Å
94	T	96.3	Very high	97	Very high	113 Å²	113	56.6 Å²	56.6	69%	0.693	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-40.5	-176.9	-51.5	0	0	0	0	112.7	P44	P44-T94 HydrophobicContact CB-CG2 4.2Å; P44-T94 WeakPolarHBondContact CB-O 3.38Å; P44-T94 HydrophobicContact CG-CG2 4.14Å
95	Y	96.4	Very high	97.1	Very high	18 Å²	18	54.8 Å²	54.8	7%	0.071	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	15.8	-177.7	-69	-87.7	0	0	0	113.6	E34 C37 P44 G93 Q97 L98	E34-Y95 HydrophobicContact CB-CD2 4.4Å; E34-Y95 HydrophobicContact CB-CE2 3.67Å; E34-Y95 HydrophobicContact CG-CE2 3.79Å; C37-Y95 HydrophobicContact CB-CE1 3.8Å; P44-Y95 HydrophobicContact CB-CD1 3.71Å; P44-Y95 HydrophobicContact CB-CE1 3.81Å; P44-Y95 HydrophobicContact CB-CG 4.22Å; P44-Y95 HydrophobicContact CG-CD1 4.3Å; P44-Y95 HydrophobicContact CG-CE1 3.88Å; G93-Y95 VanDerWaalsContact C-N 3.27Å; G93-Y95 PolarHBondContact O-N 2.94Å; Y95-Q97 PolarHBondContact O-N 3.3Å; Y95-L98 HydrophobicContact CD1-CB 4.32Å; Y95-L98 HydrophobicContact CD1-CD2 3.8Å; Y95-L98 HydrophobicContact CG-CD2 4.48Å; Y95-L98 WeakPolarHBondContact O-CB 3.47Å; Y95-L98 PolarHBondContact O-N 2.61Å
96	R	96	Very high	97.1	Very high	147 Å²	147	53.8 Å²	53.8	56%	0.555	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-28.7	-177.8	65.1	-174.3	-177.1	-176.5	-1	115	V90 R91 G93	V90-R96 VanDerWaalsContact O-CA 3.31Å; V90-R96 WeakPolarHBondContact O-CA 3.32Å; V90-R96 WeakPolarHBondContact O-CB 3.39Å; R91-R96 WeakPolarHBondContact O-CB 3.47Å; G93-R96 VanDerWaalsContact O-CB 3.26Å; G93-R96 WeakPolarHBondContact O-CB 3.42Å; G93-R96 VanDerWaalsContact O-CG 3.29Å; G93-R96 WeakPolarHBondContact O-CG 3.33Å; G93-R96 PolarHBondContact O-N 3.31Å; G93-R96 VanDerWaalsContact O-N 3.12Å
97	Q	96.4	Very high	97	Very high	105 Å²	105	54.2 Å²	54.2	49%	0.491	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-42	177.9	-75.7	178.9	-15.3	0	0	109.9	D45 R72 Y95 F99	D45-Q97 HydrophobicContact CB-CB 4.24Å; R72-Q97 PolarHBondContact NH2-O 2.91Å; Y95-Q97 PolarHBondContact O-N 3.3Å; Q97-F99 VanDerWaalsContact C-N 3.28Å; Q97-F99 PolarHBondContact O-N 3.1Å; Q97-F99 VanDerWaalsContact O-N 3.11Å
98	L	97.5	Very high	96.8	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.3	-48.9	-175.5	-174.1	66.9	0	0	0	114.3	W33 C37 I42 P44 F65 P75 Y95	W33-L98 HydrophobicContact CB-CD2 4.4Å; C37-L98 VanDerWaalsContact SG-CD2 3.57Å; I42-L98 HydrophobicContact CG2-CD1 4.26Å; P44-L98 WeakPolarHBondContact O-CB 3.43Å; P44-L98 PolarHBondContact O-N 3.48Å; P44-L98 VanDerWaalsContact O-N 3.16Å; F65-L98 HydrophobicContact CE1-CD1 4.37Å; P75-L98 WeakPolarHBondContact CD-O 3.5Å; P75-L98 HydrophobicContact CG-CD1 4.21Å; P75-L98 HydrophobicContact CG-CD2 3.74Å; P75-L98 HydrophobicContact CG-CG 3.65Å; Y95-L98 HydrophobicContact CD1-CB 4.32Å; Y95-L98 HydrophobicContact CD1-CD2 3.8Å; Y95-L98 HydrophobicContact CG-CD2 4.48Å; Y95-L98 WeakPolarHBondContact O-CB 3.47Å; Y95-L98 PolarHBondContact O-N 2.61Å
99	F	97.1	Very high	96.4	Very high	3 Å²	3	65.8 Å²	65.8	1%	0.013	33%	0.33	C	S	.	.	S	Bend	trans	-83.2	146	-173.7	-55.5	-74.3	0	0	0	112.6	W33 P75 F79 V90 Q97 L104	W33-F99 HydrophobicContact CB-CE1 4.15Å; W33-F99 HydrophobicContact CB-CZ 3.76Å; W33-F99 AromaticContact CD1-CE1 3.68Å; W33-F99 AromaticContact CD1-CZ 3.8Å; W33-F99 HydrophobicContact CD2-CE1 4.17Å; W33-F99 AromaticContact CG-CE1 3.73Å; W33-F99 HydrophobicContact CG-CE1 3.73Å; W33-F99 AromaticContact CG-CZ 3.8Å; W33-F99 HydrophobicContact CG-CZ 3.8Å; P75-F99 HydrophobicContact CB-CD1 3.95Å; P75-F99 HydrophobicContact CB-CE1 3.97Å; P75-F99 HydrophobicContact CG-CD1 3.74Å; P75-F99 HydrophobicContact CG-CE1 3.67Å; F79-F99 HydrophobicContact CD2-CD1 4.34Å; F79-F99 HydrophobicContact CD2-CE1 4.49Å; F79-F99 AromaticContact CE2-CD1 3.54Å; F79-F99 HydrophobicContact CE2-CD1 3.54Å; F79-F99 AromaticContact CE2-CE1 3.35Å; F79-F99 HydrophobicContact CE2-CE1 3.35Å; F79-F99 HydrophobicContact CE2-CE2 4.49Å; F79-F99 HydrophobicContact CE2-CG 4.21Å; F79-F99 AromaticContact CE2-CZ 3.87Å; F79-F99 HydrophobicContact CE2-CZ 3.87Å; F79-F99 HydrophobicContact CZ-CD1 4.28Å; F79-F99 AromaticContact CZ-CE1 3.66Å; F79-F99 HydrophobicContact CZ-CE1 3.66Å; F79-F99 HydrophobicContact CZ-CE2 4.44Å; F79-F99 AromaticContact CZ-CZ 3.74Å; F79-F99 HydrophobicContact CZ-CZ 3.74Å; V90-F99 HydrophobicContact CG1-CD2 3.59Å; V90-F99 HydrophobicContact CG1-CE2 3.76Å; Q97-F99 VanDerWaalsContact C-N 3.28Å; Q97-F99 PolarHBondContact O-N 3.1Å; Q97-F99 VanDerWaalsContact O-N 3.11Å; F99-L104 HydrophobicContact CB-CD1 4.28Å; F99-L104 HydrophobicContact CB-CD2 3.98Å; F99-L104 HydrophobicContact CB-CG 4.22Å; F99-L104 HydrophobicContact CG-CD2 4.3Å
100	H	96.2	Very high	96.2	Very high	78 Å²	78	64.4 Å²	64.4	36%	0.361	33%	0.326	S	S	.	.			trans	-68.3	129	171.6	-166.7	-85.3	0	0	0	109.6	V74 E102 Q103	V74-H100 HydrophobicContact CG1-CB 4.11Å; H100-E102 IonicContact CE1-OE2 3.68Å; H100-E102 PolarHBondContact CE1-OE2 2.68Å; H100-E102 WeakPolarHBondContact ND1-CB 3.27Å; H100-E102 PolarHBondContact ND1-N 3.44Å; H100-E102 PolarHBondContact O-N 3.33Å; H100-E102 VanDerWaalsContact O-N 3.1Å; H100-Q103 HydrophobicContact CB-CB 4.35Å; H100-Q103 VanDerWaalsContact CB-CD 3.42Å; H100-Q103 HydrophobicContact CB-CG 3.92Å; H100-Q103 WeakPolarHBondContact O-CB 3.31Å; H100-Q103 PolarHBondContact O-N 3.34Å
101	P	96.7	Very high	95.9	Very high	99 Å²	99	64.3 Å²	64.3	64%	0.643	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-56.2	-35.2	-175.8	-28.7	35.7	0	0	0	114.1	Q103 L104	P101-Q103 PolarHBondContact O-N 3.36Å; P101-L104 PolarHBondContact O-N 3.07Å
102	E	97	Very high	95.6	Very high	95 Å²	95	62.9 Å²	62.9	44%	0.444	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-73.4	-10.8	178.1	-57.3	-170.6	126.9	0	0	114.7	H100 R133	H100-E102 IonicContact CE1-OE2 3.68Å; H100-E102 PolarHBondContact CE1-OE2 2.68Å; H100-E102 WeakPolarHBondContact ND1-CB 3.27Å; H100-E102 PolarHBondContact ND1-N 3.44Å; H100-E102 PolarHBondContact O-N 3.33Å; H100-E102 VanDerWaalsContact O-N 3.1Å; E102-R133 VanDerWaalsContact CD-CZ 3.42Å; E102-R133 IonicContact OE1-CZ 2.83Å; E102-R133 IonicContact OE1-NH1 3.81Å; E102-R133 PolarHBondContact OE1-NH1 2.84Å; E102-R133 IonicContact OE1-NH2 3.83Å; E102-R133 PolarHBondContact OE1-NH2 3.13Å; E102-R133 IonicContact OE2-CZ 3.22Å; E102-R133 IonicContact OE2-NH1 2.7Å; E102-R133 PolarHBondContact OE2-NH1 3.47Å; E102-R133 IonicContact OE2-NH2 2.7Å; E102-R133 PolarHBondContact OE2-NH2 3.4Å
103	Q	97.8	Very high	95.5	Very high	17 Å²	17	61.5 Å²	61.5	8%	0.079	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-89.8	-8.2	172.5	-68.1	163.4	5.2	0	0	112.1	P75 A77 F79 H100 P101 L137	P75-Q103 PolarHBondContact O-OE1 2.94Å; A77-Q103 VanDerWaalsContact O-CB 3.27Å; A77-Q103 WeakPolarHBondContact O-CB 3.46Å; A77-Q103 VanDerWaalsContact O-CG 3.31Å; A77-Q103 WeakPolarHBondContact O-CG 3.48Å; A77-Q103 PolarHBondContact O-OE1 2.77Å; F79-Q103 PolarHBondContact N-O 3.14Å; H100-Q103 HydrophobicContact CB-CB 4.35Å; H100-Q103 VanDerWaalsContact CB-CD 3.42Å; H100-Q103 HydrophobicContact CB-CG 3.92Å; H100-Q103 WeakPolarHBondContact O-CB 3.31Å; H100-Q103 PolarHBondContact O-N 3.34Å; P101-Q103 PolarHBondContact O-N 3.36Å; Q103-L137 HydrophobicContact CG-CD1 4.5Å
104	L	98.4	Very high	95.5	Very high	8 Å²	8	60.7 Å²	60.7	4%	0.042	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	88	174.9	-57.5	-176.6	0	0	0	108.8	F79 I87 V90 R91 F99 P101	F79-L104 HydrophobicContact CB-CD2 3.82Å; F79-L104 HydrophobicContact CD2-CD2 3.63Å; F79-L104 HydrophobicContact CE2-CD2 4.44Å; F79-L104 HydrophobicContact CG-CD2 3.9Å; I87-L104 HydrophobicContact CG2-CB 3.93Å; V90-L104 HydrophobicContact CG1-CD1 4.14Å; V90-L104 HydrophobicContact CG1-CD2 3.95Å; R91-L104 HydrophobicContact CG-CD1 3.65Å; R91-L104 PolarHBondContact NH2-O 3.08Å; F99-L104 HydrophobicContact CB-CD1 4.28Å; F99-L104 HydrophobicContact CB-CD2 3.98Å; F99-L104 HydrophobicContact CB-CG 4.22Å; F99-L104 HydrophobicContact CG-CD2 4.3Å; P101-L104 PolarHBondContact O-N 3.07Å
105	I	98.4	Very high	95.6	Very high	8 Å²	8	55.3 Å²	55.3	4%	0.041	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.7	-169.4	-58.1	171	0	0	0	108.9	I78 F79 V80 D81 I126 L129 V130 R133	I78-I105 HydrophobicContact CG2-CD1 3.82Å; F79-I105 PolarHBondContact O-N 3.36Å; V80-I105 WeakPolarHBondContact CA-O 3.3Å; V80-I105 HydrophobicContact CG1-CG2 4.39Å; V80-I105 HydrophobicContact CG2-CB 4.36Å; V80-I105 HydrophobicContact CG2-CD1 4.45Å; D81-I105 PolarHBondContact N-O 3.08Å; I105-I126 HydrophobicContact CG2-CD1 3.45Å; I105-I126 VanDerWaalsContact CG2-CD1 3.45Å; I105-I126 HydrophobicContact CG2-CG1 3.85Å; I105-L129 HydrophobicContact CG2-CD2 3.86Å; I105-L129 HydrophobicContact CG2-CG 4.4Å; I105-V130 HydrophobicContact CD1-CB 4.42Å; I105-V130 HydrophobicContact CD1-CG2 3.89Å; I105-V130 HydrophobicContact CG2-CG2 4.13Å; I105-R133 HydrophobicContact CD1-CB 4.12Å; I105-R133 HydrophobicContact CD1-CG 3.77Å
106	N	97.6	Very high	95.7	Very high	43 Å²	43	54.4 Å²	54.4	23%	0.23	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	151	164.9	50.8	51.1	0	0	0	114.3	D81 I87 R91	D81-N106 CarbonylContact O-C 3.58Å; D81-N106 WeakPolarHBondContact O-CA 3.28Å; I87-N106 HydrophobicContact CB-CB 4.36Å; I87-N106 WeakPolarHBondContact CB-ND2 3.23Å; I87-N106 HydrophobicContact CG1-CB 4.15Å; I87-N106 WeakPolarHBondContact CG2-ND2 3.23Å; R91-N106 VanDerWaalsContact CZ-ND2 3.25Å; R91-N106 PolarHBondContact NH1-ND2 3.48Å; R91-N106 PolarHBondContact NH2-ND2 3.03Å; R91-N106 VanDerWaalsContact NH2-ND2 3.11Å
107	G	94.6	Very high	95.8	Very high	15 Å²	15	49.5 Å²	49.5	16%	0.155	26%	0.256	C	S	.	.			trans	-81.3	-170.9	166.2	0	0	0	0	0	112.1	D81 L82	D81-G107 PolarHBondContact O-N 3.15Å; D81-G107 VanDerWaalsContact O-N 3.07Å; L82-G107 CarbonylContact O-C 3.44Å; L82-G107 WeakPolarHBondContact O-CA 3.36Å; L82-G107 PolarHBondContact O-N 3.47Å
108	K	92.3	Very high	95.9	Very high	204 Å²	204	44.5 Å²	44.5	89%	0.887	23%	0.233	S	C	*	.	S	Bend	trans	-107.5	-14.1	-179.7	-62.6	177.1	-175.4	169.9	0	113.2	L82	L82-K108 PolarHBondContact O-N 2.86Å
109	E	91	Very high	95.9	Very high	103 Å²	103	45 Å²	45	48%	0.481	24%	0.235	S	C	.	.	S	Bend	trans	-135.6	132.9	-171.9	-68.3	-174.2	-135.6	0	0	108.9	L82 R117 I122	L82-E109 CarbonylContact C-O 3.43Å; L82-E109 VanDerWaalsContact C-O 3.27Å; L82-E109 WeakPolarHBondContact CB-O 3.29Å; L82-E109 CarbonylContact O-C 3.47Å; L82-E109 PolarHBondContact O-N 3.35Å; E109-R117 IonicContact OE2-CZ 2.69Å; E109-R117 IonicContact OE2-NH2 2.71Å; E109-R117 PolarHBondContact OE2-NH2 3.09Å; E109-I122 HydrophobicContact CB-CD1 4.32Å; E109-I122 HydrophobicContact CB-CG2 4.46Å
110	D	91.4	Very high	96	Very high	75 Å²	75	46.8 Å²	46.8	40%	0.401	24%	0.242	S	C	.	.			trans	-69.1	164.7	177.5	65.5	54.8	0	0	0	112.3	E83 A112 R117	E83-D110 HydrophobicContact CB-CB 3.83Å; E83-D110 HydrophobicContact CG-CB 3.97Å; D110-A112 VanDerWaalsContact C-N 3.26Å; D110-A112 VanDerWaalsContact OD1-CA 3.23Å; D110-A112 WeakPolarHBondContact OD1-CA 3.38Å; D110-A112 WeakPolarHBondContact OD1-CB 3.3Å; D110-A112 PolarHBondContact OD1-N 2.82Å; D110-R117 PolarHBondContact O-NE 3.11Å
111	A	92.1	Very high	96	Very high	3 Å²	3	44.9 Å²	44.9	3%	0.025	24%	0.236	C	C	.	.			trans	-80	-3.8	172.1	0	0	0	0	0	113.3	L82 N113 N114	L82-A111 HydrophobicContact CD1-CB 4.09Å; A111-N113 PolarHBondContact O-N 2.85Å; A111-N113 VanDerWaalsContact O-N 3.11Å; A111-N114 WeakPolarHBondContact O-CB 3.26Å; A111-N114 PolarHBondContact O-N 2.79Å
112	A	92	Very high	96	Very high	58 Å²	58	40.9 Å²	40.9	48%	0.479	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	36.3	-175.3	0	0	0	0	0	114.7	D110 N114	D110-A112 VanDerWaalsContact C-N 3.26Å; D110-A112 VanDerWaalsContact OD1-CA 3.23Å; D110-A112 WeakPolarHBondContact OD1-CA 3.38Å; D110-A112 WeakPolarHBondContact OD1-CB 3.3Å; D110-A112 PolarHBondContact OD1-N 2.82Å; A112-N114 PolarHBondContact O-N 3.18Å
113	N	94.4	Very high	96	Very high	73 Å²	73	36.3 Å²	36.3	39%	0.39	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	24.5	-171.3	-65	-56.3	0	0	0	114.9	A111 A192 V194 N198	A111-N113 PolarHBondContact O-N 2.85Å; A111-N113 VanDerWaalsContact O-N 3.11Å; N113-A192 HydrophobicContact CB-CB 3.68Å; N113-V194 HydrophobicContact CB-CG2 4.46Å; N113-V194 WeakPolarHBondContact O-CG2 3.39Å; N113-N198 PolarHBondContact O-ND2 3.01Å
114	N	96.9	Very high	96	Very high	9 Å²	9	40.7 Å²	40.7	5%	0.048	21%	0.206	C	C	.	.			trans	-109.5	116	-179.3	-176.4	-20.1	0	0	0	110.4	A111 A112 A116 R117 G118 W419	A111-N114 WeakPolarHBondContact O-CB 3.26Å; A111-N114 PolarHBondContact O-N 2.79Å; A112-N114 PolarHBondContact O-N 3.18Å; N114-A116 VanDerWaalsContact C-N 3.28Å; N114-A116 PolarHBondContact O-N 3.01Å; N114-A116 WeakPolarHBondContact OD1-CB 3.37Å; N114-A116 PolarHBondContact OD1-N 3.36Å; N114-R117 HydrophobicContact CB-CB 4.04Å; N114-R117 PolarHBondContact O-N 3.28Å; N114-G118 PolarHBondContact O-N 2.97Å; N114-W419 PolarHBondContact ND2-O 3.24Å
115	Y	98.4	Very high	95.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-50.9	-47	174.3	172	-84.1	0	0	0	111.9	R117 G118 H119 Y120 G160 S163 N198 L201 T202 T205 M425	Y115-R117 PolarHBondContact O-N 3.19Å; Y115-G118 CarbonylContact O-C 3.54Å; Y115-G118 WeakPolarHBondContact O-CA 3.48Å; Y115-G118 PolarHBondContact O-N 3.49Å; Y115-H119 HydrophobicContact CD1-CB 4.33Å; Y115-H119 HydrophobicContact CE1-CB 3.91Å; Y115-H119 AromaticContact CZ-CD2 3.82Å; Y115-H119 PolarHBondContact O-N 2.82Å; Y115-H119 PolarHBondContact OH-CD2 2.85Å; Y115-H119 VanDerWaalsContact OH-CD2 3.24Å; Y115-Y120 HydrophobicContact CD1-CE2 4.4Å; Y115-Y120 AromaticContact CE1-CE2 3.99Å; Y115-Y120 HydrophobicContact CE1-CE2 3.99Å; Y115-G160 WeakPolarHBondContact O-CA 3.43Å; Y115-S163 WeakPolarHBondContact CE2-OG 3.35Å; Y115-S163 WeakPolarHBondContact OH-CB 3.24Å; Y115-N198 WeakPolarHBondContact CB-OD1 3.41Å; Y115-N198 PolarHBondContact N-OD1 2.68Å; Y115-L201 HydrophobicContact CD1-CB 3.94Å; Y115-L201 HydrophobicContact CD1-CD1 3.73Å; Y115-L201 HydrophobicContact CD1-CG 4.39Å; Y115-L201 HydrophobicContact CD2-CB 3.85Å; Y115-L201 HydrophobicContact CE1-CB 3.93Å; Y115-L201 HydrophobicContact CE1-CD1 4.32Å; Y115-L201 HydrophobicContact CE2-CB 3.85Å; Y115-L201 HydrophobicContact CG-CB 3.94Å; Y115-L201 HydrophobicContact CG-CD1 3.99Å; Y115-T202 WeakPolarHBondContact CD2-OG1 3.3Å; Y115-T202 VanDerWaalsContact CE2-OG1 3.3Å; Y115-T202 WeakPolarHBondContact CE2-OG1 3.23Å; Y115-T205 WeakPolarHBondContact OH-CB 3.37Å; Y115-T205 PolarHBondContact OH-OG1 3.4Å; Y115-M425 HydrophobicContact CD1-SD 4.34Å
116	A	98.4	Very high	95.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.7	-33.4	-174.1	0	0	0	0	0	111.7	N114 H119 Y120 Y420 E423 M425	N114-A116 VanDerWaalsContact C-N 3.28Å; N114-A116 PolarHBondContact O-N 3.01Å; N114-A116 WeakPolarHBondContact OD1-CB 3.37Å; N114-A116 PolarHBondContact OD1-N 3.36Å; A116-H119 PolarHBondContact O-N 2.69Å; A116-Y120 HydrophobicContact CB-CD2 3.85Å; A116-Y120 HydrophobicContact CB-CE2 4.25Å; A116-Y120 WeakPolarHBondContact O-CD2 3.27Å; A116-Y120 PolarHBondContact O-N 3.08Å; A116-Y420 HydrophobicContact CB-CD1 3.94Å; A116-Y420 HydrophobicContact CB-CG 4.28Å; A116-E423 HydrophobicContact CB-CB 3.84Å; A116-M425 HydrophobicContact CB-CB 3.91Å; A116-M425 HydrophobicContact CB-SD 4.09Å
117	R	97.6	Very high	95.8	Very high	44 Å²	44	46 Å²	46	17%	0.166	23%	0.229	C	C	.	.	I	π-helix	trans	-67.8	-38.4	173.7	-167.4	169.9	169.6	91.4	3	112	E109 D110 N114 Y115 H119 T121 I122 G123 E423	E109-R117 IonicContact OE2-CZ 2.69Å; E109-R117 IonicContact OE2-NH2 2.71Å; E109-R117 PolarHBondContact OE2-NH2 3.09Å; D110-R117 PolarHBondContact O-NE 3.11Å; N114-R117 HydrophobicContact CB-CB 4.04Å; N114-R117 PolarHBondContact O-N 3.28Å; Y115-R117 PolarHBondContact O-N 3.19Å; R117-H119 VanDerWaalsContact C-N 3.35Å; R117-T121 WeakPolarHBondContact CA-OG1 3.3Å; R117-T121 PolarHBondContact O-OG1 3.15Å; R117-I122 HydrophobicContact CG-CB 4.26Å; R117-I122 HydrophobicContact CG-CG1 3.56Å; R117-I122 PolarHBondContact O-N 3.09Å; R117-G123 PolarHBondContact O-N 3.09Å; R117-E423 HydrophobicContact CB-CG 4.08Å; R117-E423 IonicContact NH1-OE1 3.24Å; R117-E423 PolarHBondContact NH1-OE1 3.07Å
118	G	97.9	Very high	96	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.245	C	C	.	.	I	π-helix	trans	-68.2	-28.2	173.2	0	0	0	0	0	114.2	N114 Y115 G123 G160 F161	N114-G118 PolarHBondContact O-N 2.97Å; Y115-G118 CarbonylContact O-C 3.54Å; Y115-G118 WeakPolarHBondContact O-CA 3.48Å; Y115-G118 PolarHBondContact O-N 3.49Å; G118-G123 VanDerWaalsContact O-CA 3.25Å; G118-G123 WeakPolarHBondContact O-CA 3.33Å; G118-G160 CarbonylContact O-C 3.51Å; G118-F161 WeakPolarHBondContact O-CA 3.47Å; G118-F161 WeakPolarHBondContact O-CB 3.23Å; G118-F161 PolarHBondContact O-N 2.85Å
119	H	98.5	Very high	96.3	Very high	11 Å²	11	44.2 Å²	44.2	5%	0.051	22%	0.223	C	C	.	.	I	π-helix	trans	-102.6	-50.1	-174.7	-170	-69	0	0	0	113.7	Y115 A116 R117 K124 G160 L164 E167	Y115-H119 HydrophobicContact CD1-CB 4.33Å; Y115-H119 HydrophobicContact CE1-CB 3.91Å; Y115-H119 AromaticContact CZ-CD2 3.82Å; Y115-H119 PolarHBondContact O-N 2.82Å; Y115-H119 PolarHBondContact OH-CD2 2.85Å; Y115-H119 VanDerWaalsContact OH-CD2 3.24Å; A116-H119 PolarHBondContact O-N 2.69Å; R117-H119 VanDerWaalsContact C-N 3.35Å; H119-K124 VanDerWaalsContact O-CG 3.31Å; H119-K124 WeakPolarHBondContact O-CG 3.49Å; H119-G160 WeakPolarHBondContact CB-O 3.5Å; H119-G160 PolarHBondContact CD2-O 2.85Å; H119-L164 PolarHBondContact CD2-N 2.68Å; H119-E167 IonicContact CD2-OE1 3.54Å; H119-E167 IonicContact CE1-OE1 3.21Å; H119-E167 PolarHBondContact CE1-OE1 2.82Å; H119-E167 IonicContact NE2-OE1 2.69Å; H119-E167 PolarHBondContact NE2-OE1 2.81Å; H119-E167 IonicContact NE2-OE2 3.38Å
120	Y	98	Very high	96.6	Very high	40 Å²	40	39.3 Å²	39.3	16%	0.157	20%	0.2	C	C	.	.	I	π-helix	trans	-95.4	-23.5	-169.8	-56.3	-88.5	0	0	0	114.5	Y115 A116 K124 E423 M425 E429	Y115-Y120 HydrophobicContact CD1-CE2 4.4Å; Y115-Y120 AromaticContact CE1-CE2 3.99Å; Y115-Y120 HydrophobicContact CE1-CE2 3.99Å; A116-Y120 HydrophobicContact CB-CD2 3.85Å; A116-Y120 HydrophobicContact CB-CE2 4.25Å; A116-Y120 WeakPolarHBondContact O-CD2 3.27Å; A116-Y120 PolarHBondContact O-N 3.08Å; Y120-K124 VanDerWaalsContact O-CD 3.24Å; Y120-K124 WeakPolarHBondContact O-CD 3.45Å; Y120-K124 PolarHBondContact O-NZ 2.77Å; Y120-E423 WeakPolarHBondContact CB-O 3.4Å; Y120-M425 HydrophobicContact CD2-CB 3.93Å; Y120-M425 HydrophobicContact CD2-CG 4.27Å; Y120-M425 HydrophobicContact CE2-CB 3.72Å; Y120-M425 HydrophobicContact CE2-CG 3.55Å; Y120-M425 HydrophobicContact CE2-SD 3.99Å; Y120-E429 PolarHBondContact OH-OE2 3.08Å
121	T	97	Very high	97	Very high	38 Å²	38	36 Å²	36	23%	0.233	18%	0.182	C	C	.	.	I	π-helix	trans	-120.2	-93.5	-174.7	61.6	0	0	0	0	112.8	R117 G123 K124 E125 E423	R117-T121 WeakPolarHBondContact CA-OG1 3.3Å; R117-T121 PolarHBondContact O-OG1 3.15Å; T121-G123 VanDerWaalsContact C-N 3.25Å; T121-G123 PolarHBondContact O-N 3.41Å; T121-K124 WeakPolarHBondContact O-CB 3.39Å; T121-K124 PolarHBondContact O-N 3.11Å; T121-E125 PolarHBondContact O-N 3.3Å; T121-E423 WeakPolarHBondContact CB-OE2 3.45Å; T121-E423 HydrophobicContact CG2-CB 4.08Å; T121-E423 WeakPolarHBondContact CG2-O 3.45Å; T121-E423 WeakPolarHBondContact CG2-OE2 3.32Å; T121-E423 PolarHBondContact OG1-OE2 2.84Å
122	I	96.7	Very high	97.3	Very high	14 Å²	14	38.1 Å²	38.1	7%	0.072	19%	0.193	C	C	.	.	H	α-helix	trans	-59.5	-37.5	-171.4	-54.3	-57.7	0	0	0	111.5	L82 E109 R117 K124 E125	L82-I122 HydrophobicContact CB-CG2 4.13Å; L82-I122 HydrophobicContact CD1-CB 4.22Å; L82-I122 HydrophobicContact CD1-CG2 4.04Å; L82-I122 HydrophobicContact CD2-CG2 4.25Å; L82-I122 HydrophobicContact CG-CG2 4.35Å; E109-I122 HydrophobicContact CB-CD1 4.32Å; E109-I122 HydrophobicContact CB-CG2 4.46Å; R117-I122 HydrophobicContact CG-CB 4.26Å; R117-I122 HydrophobicContact CG-CG1 3.56Å; R117-I122 PolarHBondContact O-N 3.09Å; I122-K124 VanDerWaalsContact C-N 3.33Å; I122-K124 PolarHBondContact O-N 3.07Å; I122-E125 WeakPolarHBondContact O-CB 3.35Å; I122-E125 PolarHBondContact O-N 2.97Å; I122-E125 VanDerWaalsContact O-N 3.17Å
123	G	97.4	Very high	97.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-36.3	174.3	0	0	0	0	0	114.5	R117 G118 T121 E125 I126 I127 F161	R117-G123 PolarHBondContact O-N 3.09Å; G118-G123 VanDerWaalsContact O-CA 3.25Å; G118-G123 WeakPolarHBondContact O-CA 3.33Å; T121-G123 VanDerWaalsContact C-N 3.25Å; T121-G123 PolarHBondContact O-N 3.41Å; G123-E125 PolarHBondContact O-N 2.94Å; G123-I126 PolarHBondContact O-N 3.42Å; G123-I127 PolarHBondContact O-N 3.32Å; G123-F161 WeakPolarHBondContact O-CE2 3.33Å
124	K	96.8	Very high	97.8	Very high	108 Å²	108	33.7 Å²	33.7	47%	0.47	16%	0.158	S	C	.	.	H	α-helix	trans	-66.2	-24.7	176.4	-67.4	-165.4	179.7	151.9	0	112.8	H119 Y120 T121 I122 I126 L164	H119-K124 VanDerWaalsContact O-CG 3.31Å; H119-K124 WeakPolarHBondContact O-CG 3.49Å; Y120-K124 VanDerWaalsContact O-CD 3.24Å; Y120-K124 WeakPolarHBondContact O-CD 3.45Å; Y120-K124 PolarHBondContact O-NZ 2.77Å; T121-K124 WeakPolarHBondContact O-CB 3.39Å; T121-K124 PolarHBondContact O-N 3.11Å; I122-K124 VanDerWaalsContact C-N 3.33Å; I122-K124 PolarHBondContact O-N 3.07Å; K124-I126 VanDerWaalsContact C-N 3.29Å; K124-I126 PolarHBondContact O-N 3.43Å; K124-L164 HydrophobicContact CG-CD2 4.05Å
125	E	96.1	Very high	97.8	Very high	153 Å²	153	37.7 Å²	37.7	72%	0.715	17%	0.173	S	C	*	.	H	α-helix	trans	-70.3	-28	177.1	-57.8	-170.9	173.2	0	0	112.4	T121 I122 G123	T121-E125 PolarHBondContact O-N 3.3Å; I122-E125 WeakPolarHBondContact O-CB 3.35Å; I122-E125 PolarHBondContact O-N 2.97Å; I122-E125 VanDerWaalsContact O-N 3.17Å; G123-E125 PolarHBondContact O-N 2.94Å
126	I	96.8	Very high	97.8	Very high	12 Å²	12	43.9 Å²	43.9	6%	0.062	20%	0.196	C	C	.	.	H	α-helix	trans	-109.5	-17.2	-174.1	-154.7	166.5	0	0	0	114.3	L82 I105 G123 K124 E128 L129 V130 F161	L82-I126 HydrophobicContact CD2-CG2 3.51Å; I105-I126 HydrophobicContact CG2-CD1 3.45Å; I105-I126 VanDerWaalsContact CG2-CD1 3.45Å; I105-I126 HydrophobicContact CG2-CG1 3.85Å; G123-I126 PolarHBondContact O-N 3.42Å; K124-I126 VanDerWaalsContact C-N 3.29Å; K124-I126 PolarHBondContact O-N 3.43Å; I126-E128 VanDerWaalsContact C-N 3.31Å; I126-E128 PolarHBondContact O-N 2.88Å; I126-L129 HydrophobicContact CG1-CB 4.48Å; I126-L129 HydrophobicContact CG1-CD2 4.27Å; I126-L129 WeakPolarHBondContact O-CB 3.21Å; I126-L129 PolarHBondContact O-N 2.88Å; I126-V130 HydrophobicContact CG1-CG2 4.43Å; I126-V130 PolarHBondContact O-N 2.84Å; I126-V130 VanDerWaalsContact O-N 3.11Å; I126-F161 HydrophobicContact CG2-CD2 4.18Å; I126-F161 HydrophobicContact CG2-CE2 3.52Å; I126-F161 HydrophobicContact CG2-CZ 3.93Å
127	I	98.2	Very high	97.8	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-55.1	-42.5	-173.9	-173.6	58.4	0	0	0	113.2	G123 L129 V130 L131 F161 L164 L165 R168	G123-I127 PolarHBondContact O-N 3.32Å; I127-L129 VanDerWaalsContact C-N 3.3Å; I127-L129 PolarHBondContact O-N 2.75Å; I127-V130 PolarHBondContact O-N 3.13Å; I127-V130 VanDerWaalsContact O-N 3.15Å; I127-L131 HydrophobicContact CD1-CD1 4.34Å; I127-L131 HydrophobicContact CD1-CG 4.14Å; I127-L131 HydrophobicContact CG1-CD1 3.94Å; I127-L131 HydrophobicContact CG1-CG 4.22Å; I127-L131 WeakPolarHBondContact O-CG 3.42Å; I127-L131 PolarHBondContact O-N 3.34Å; I127-F161 HydrophobicContact CB-CE2 4.01Å; I127-F161 HydrophobicContact CD1-CE2 3.91Å; I127-F161 HydrophobicContact CD1-CZ 3.88Å; I127-L164 HydrophobicContact CB-CD2 3.92Å; I127-L164 HydrophobicContact CD1-CG 4.38Å; I127-L164 HydrophobicContact CG1-CD2 4.08Å; I127-L164 HydrophobicContact CG1-CG 4.17Å; I127-L164 HydrophobicContact CG2-CD2 4.19Å; I127-L165 HydrophobicContact CD1-CB 4.14Å; I127-L165 HydrophobicContact CD1-CD1 3.82Å; I127-R168 HydrophobicContact CD1-CG 4.39Å; I127-R168 HydrophobicContact CG1-CG 4.08Å
128	E	98.2	Very high	97.7	Very high	104 Å²	104	42.7 Å²	42.7	49%	0.486	20%	0.195	S	C	.	.	H	α-helix	trans	-65.6	-33.6	-179.1	-63.3	-59.1	144.9	0	0	112.2	I126 D132 R168	I126-E128 VanDerWaalsContact C-N 3.31Å; I126-E128 PolarHBondContact O-N 2.88Å; E128-D132 PolarHBondContact O-N 3.37Å; E128-R168 IonicContact OE1-CZ 3.78Å; E128-R168 IonicContact OE1-NH2 3.49Å; E128-R168 PolarHBondContact OE1-NH2 3.15Å
129	L	98	Very high	97.6	Very high	79 Å²	79	48.5 Å²	48.5	41%	0.414	23%	0.226	S	C	.	.	H	α-helix	trans	-66.6	-45.4	173	173.6	62.7	0	0	0	110.7	I105 I126 I127 D132 R133	I105-L129 HydrophobicContact CG2-CD2 3.86Å; I105-L129 HydrophobicContact CG2-CG 4.4Å; I126-L129 HydrophobicContact CG1-CB 4.48Å; I126-L129 HydrophobicContact CG1-CD2 4.27Å; I126-L129 WeakPolarHBondContact O-CB 3.21Å; I126-L129 PolarHBondContact O-N 2.88Å; I127-L129 VanDerWaalsContact C-N 3.3Å; I127-L129 PolarHBondContact O-N 2.75Å; L129-D132 PolarHBondContact O-N 3.39Å; L129-R133 WeakPolarHBondContact O-CG 3.4Å; L129-R133 PolarHBondContact O-N 3.01Å; L129-R133 VanDerWaalsContact O-N 3.11Å
130	V	98.6	Very high	97.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-45.6	178.7	176.6	0	0	0	0	110.6	V80 I105 I126 I127 D132 R133 I134 F161 L165	V80-V130 HydrophobicContact CB-CG2 4.49Å; V80-V130 HydrophobicContact CG1-CG2 3.84Å; V80-V130 HydrophobicContact CG2-CG1 3.95Å; V80-V130 HydrophobicContact CG2-CG2 3.77Å; I105-V130 HydrophobicContact CD1-CB 4.42Å; I105-V130 HydrophobicContact CD1-CG2 3.89Å; I105-V130 HydrophobicContact CG2-CG2 4.13Å; I126-V130 HydrophobicContact CG1-CG2 4.43Å; I126-V130 PolarHBondContact O-N 2.84Å; I126-V130 VanDerWaalsContact O-N 3.11Å; I127-V130 PolarHBondContact O-N 3.13Å; I127-V130 VanDerWaalsContact O-N 3.15Å; V130-D132 PolarHBondContact O-N 2.83Å; V130-R133 PolarHBondContact O-N 2.98Å; V130-R133 VanDerWaalsContact O-N 3.14Å; V130-I134 HydrophobicContact CG1-CD1 4.02Å; V130-I134 HydrophobicContact CG1-CG1 4.48Å; V130-I134 WeakPolarHBondContact O-CG1 3.5Å; V130-I134 PolarHBondContact O-N 3.31Å; V130-F161 HydrophobicContact CB-CZ 4.14Å; V130-F161 HydrophobicContact CG1-CZ 4.35Å; V130-F161 HydrophobicContact CG2-CE1 4.28Å; V130-F161 HydrophobicContact CG2-CZ 3.76Å; V130-L165 HydrophobicContact CG1-CD1 4.15Å
131	L	98.6	Very high	97.1	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-39.1	176.7	-68.9	173	0	0	0	112.5	I127 R133 I134 R135 L165 R168	I127-L131 HydrophobicContact CD1-CD1 4.34Å; I127-L131 HydrophobicContact CD1-CG 4.14Å; I127-L131 HydrophobicContact CG1-CD1 3.94Å; I127-L131 HydrophobicContact CG1-CG 4.22Å; I127-L131 WeakPolarHBondContact O-CG 3.42Å; I127-L131 PolarHBondContact O-N 3.34Å; L131-R133 VanDerWaalsContact C-N 3.31Å; L131-R133 PolarHBondContact O-N 3.29Å; L131-I134 PolarHBondContact O-N 3.12Å; L131-R135 WeakPolarHBondContact O-CB 3.37Å; L131-R135 PolarHBondContact O-N 2.73Å; L131-L165 HydrophobicContact CD2-CD1 4.1Å; L131-R168 HydrophobicContact CD1-CB 3.82Å; L131-R168 HydrophobicContact CD1-CG 4.01Å; L131-R168 HydrophobicContact CD2-CB 3.84Å; L131-R168 HydrophobicContact CG-CB 4.39Å
132	D	98.4	Very high	96.8	Very high	47 Å²	47	55.2 Å²	55.2	25%	0.251	27%	0.268	S	S	.	.	H	α-helix	trans	-60.1	-41.6	173.1	-175.6	69.6	0	0	0	111.8	E128 L129 V130 R135 R136	E128-D132 PolarHBondContact O-N 3.37Å; L129-D132 PolarHBondContact O-N 3.39Å; V130-D132 PolarHBondContact O-N 2.83Å; D132-R135 PolarHBondContact O-N 3.25Å; D132-R135 IonicContact OD1-NH1 2.68Å; D132-R136 WeakPolarHBondContact O-CG 3.37Å; D132-R136 PolarHBondContact O-N 3.06Å; D132-R136 IonicContact OD1-NE 3.64Å; D132-R136 IonicContact OD1-NH2 3.43Å; D132-R136 IonicContact OD2-CZ 3.21Å; D132-R136 IonicContact OD2-NE 3.36Å; D132-R136 PolarHBondContact OD2-NE 2.86Å; D132-R136 IonicContact OD2-NH2 3.49Å; D132-R136 PolarHBondContact OD2-NH2 3.41Å
133	R	98.2	Very high	96.5	Very high	38 Å²	38	55.7 Å²	55.7	14%	0.143	28%	0.276	C	S	.	.	H	α-helix	trans	-69.4	-39.4	177.7	-61.2	-45.1	-179	169.2	3.9	112.5	I78 E102 I105 L129 V130 L131 R135 R136 L137	I78-R133 HydrophobicContact CD1-CB 3.92Å; E102-R133 VanDerWaalsContact CD-CZ 3.42Å; E102-R133 IonicContact OE1-CZ 2.83Å; E102-R133 IonicContact OE1-NH1 3.81Å; E102-R133 PolarHBondContact OE1-NH1 2.84Å; E102-R133 IonicContact OE1-NH2 3.83Å; E102-R133 PolarHBondContact OE1-NH2 3.13Å; E102-R133 IonicContact OE2-CZ 3.22Å; E102-R133 IonicContact OE2-NH1 2.7Å; E102-R133 PolarHBondContact OE2-NH1 3.47Å; E102-R133 IonicContact OE2-NH2 2.7Å; E102-R133 PolarHBondContact OE2-NH2 3.4Å; I105-R133 HydrophobicContact CD1-CB 4.12Å; I105-R133 HydrophobicContact CD1-CG 3.77Å; L129-R133 WeakPolarHBondContact O-CG 3.4Å; L129-R133 PolarHBondContact O-N 3.01Å; L129-R133 VanDerWaalsContact O-N 3.11Å; V130-R133 PolarHBondContact O-N 2.98Å; V130-R133 VanDerWaalsContact O-N 3.14Å; L131-R133 VanDerWaalsContact C-N 3.31Å; L131-R133 PolarHBondContact O-N 3.29Å; R133-R135 VanDerWaalsContact C-N 3.33Å; R133-R136 PolarHBondContact O-N 3.23Å; R133-L137 PolarHBondContact O-N 2.87Å; R133-L137 VanDerWaalsContact O-N 3.1Å
134	I	98.6	Very high	96.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.6	-46.8	172.5	-69.8	175.9	0	0	0	110.2	V19 I78 V130 L131 R136 L137 A138 F147 L165 L169 Y173	V19-I134 HydrophobicContact CG2-CD1 4.29Å; I78-I134 HydrophobicContact CD1-CB 4.15Å; I78-I134 HydrophobicContact CD1-CD1 4.35Å; I78-I134 HydrophobicContact CD1-CG1 3.25Å; V130-I134 HydrophobicContact CG1-CD1 4.02Å; V130-I134 HydrophobicContact CG1-CG1 4.48Å; V130-I134 WeakPolarHBondContact O-CG1 3.5Å; V130-I134 PolarHBondContact O-N 3.31Å; L131-I134 PolarHBondContact O-N 3.12Å; I134-R136 PolarHBondContact O-N 3.07Å; I134-L137 PolarHBondContact O-N 2.82Å; I134-L137 VanDerWaalsContact O-N 3.15Å; I134-A138 WeakPolarHBondContact O-CB 3.19Å; I134-A138 PolarHBondContact O-N 2.98Å; I134-F147 HydrophobicContact CG2-CE1 3.67Å; I134-F147 HydrophobicContact CG2-CZ 4.07Å; I134-L165 HydrophobicContact CD1-CD1 3.81Å; I134-L169 HydrophobicContact CD1-CD2 3.93Å; I134-L169 HydrophobicContact CG2-CD2 4.07Å; I134-Y173 HydrophobicContact CG2-CE2 3.88Å
135	R	98.3	Very high	96.1	Very high	92 Å²	92	52.7 Å²	52.7	35%	0.347	26%	0.264	S	S	.	.	H	α-helix	trans	-57.8	-47.5	178.9	-170.4	-178.1	-57.6	113	4.7	112.3	L131 D132 R133 L137 A138 D139 D172 Y173	L131-R135 WeakPolarHBondContact O-CB 3.37Å; L131-R135 PolarHBondContact O-N 2.73Å; D132-R135 PolarHBondContact O-N 3.25Å; D132-R135 IonicContact OD1-NH1 2.68Å; R133-R135 VanDerWaalsContact C-N 3.33Å; R135-L137 VanDerWaalsContact C-N 3.32Å; R135-L137 PolarHBondContact O-N 2.94Å; R135-A138 PolarHBondContact O-N 3.19Å; R135-A138 VanDerWaalsContact O-N 3.17Å; R135-D139 WeakPolarHBondContact O-CB 3.42Å; R135-D139 PolarHBondContact O-N 3.1Å; R135-D172 IonicContact NH2-OD2 3.76Å; R135-Y173 WeakPolarHBondContact CA-OH 3.41Å
136	R	97.8	Very high	96	Very high	130 Å²	130	45.4 Å²	45.4	49%	0.491	23%	0.23	S	C	.	.	H	α-helix	trans	-60.6	-39.3	176.3	-69.8	172.4	-171.8	-90.4	-4.6	112.9	D132 R133 I134 N140	D132-R136 WeakPolarHBondContact O-CG 3.37Å; D132-R136 PolarHBondContact O-N 3.06Å; D132-R136 IonicContact OD1-NE 3.64Å; D132-R136 IonicContact OD1-NH2 3.43Å; D132-R136 IonicContact OD2-CZ 3.21Å; D132-R136 IonicContact OD2-NE 3.36Å; D132-R136 PolarHBondContact OD2-NE 2.86Å; D132-R136 IonicContact OD2-NH2 3.49Å; D132-R136 PolarHBondContact OD2-NH2 3.41Å; R133-R136 PolarHBondContact O-N 3.23Å; I134-R136 PolarHBondContact O-N 3.07Å; R136-N140 WeakPolarHBondContact O-CB 3.44Å; R136-N140 PolarHBondContact O-N 3.22Å; R136-N140 PolarHBondContact O-ND2 3.32Å; R136-N140 VanDerWaalsContact O-ND2 3.09Å
137	L	97.3	Very high	96.1	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-67.2	-42.3	175.2	-78.9	179.9	0	0	0	111.6	I17 I78 Q103 R133 I134 R135 N140 C141	I17-L137 HydrophobicContact CD1-CB 3.67Å; I17-L137 HydrophobicContact CG1-CB 4.18Å; I17-L137 HydrophobicContact CG2-CD1 4.1Å; I78-L137 HydrophobicContact CD1-CD1 3.94Å; I78-L137 HydrophobicContact CG1-CD1 3.59Å; Q103-L137 HydrophobicContact CG-CD1 4.5Å; R133-L137 PolarHBondContact O-N 2.87Å; R133-L137 VanDerWaalsContact O-N 3.1Å; I134-L137 PolarHBondContact O-N 2.82Å; I134-L137 VanDerWaalsContact O-N 3.15Å; R135-L137 VanDerWaalsContact C-N 3.32Å; R135-L137 PolarHBondContact O-N 2.94Å; L137-N140 CarbonylContact O-C 3.59Å; L137-N140 PolarHBondContact O-N 3.36Å; L137-C141 PolarHBondContact O-N 3.43Å; L137-C141 PolarHBondContact O-SG 3.46Å
138	A	96.7	Very high	96	Very high	12 Å²	12	44.6 Å²	44.6	10%	0.099	23%	0.226	C	C	.	.	H	α-helix	trans	-64.7	-43.2	178.7	0	0	0	0	0	111.9	I17 I134 R135 N140 C141 L144 Y173	I17-A138 HydrophobicContact CD1-CB 4.14Å; I134-A138 WeakPolarHBondContact O-CB 3.19Å; I134-A138 PolarHBondContact O-N 2.98Å; R135-A138 PolarHBondContact O-N 3.19Å; R135-A138 VanDerWaalsContact O-N 3.17Å; A138-N140 PolarHBondContact O-N 2.86Å; A138-C141 WeakPolarHBondContact O-CB 3.24Å; A138-C141 PolarHBondContact O-N 2.97Å; A138-L144 HydrophobicContact CB-CD2 3.82Å; A138-Y173 HydrophobicContact CB-CE1 3.84Å
139	D	95.9	Very high	96.1	Very high	121 Å²	121	39.6 Å²	39.6	65%	0.647	20%	0.203	S	C	*	.	H	α-helix	trans	-63.6	-27.5	176.5	-68.5	-18.2	0	0	0	112.1	R135 C141	R135-D139 WeakPolarHBondContact O-CB 3.42Å; R135-D139 PolarHBondContact O-N 3.1Å; D139-C141 VanDerWaalsContact C-N 3.3Å
140	N	93.3	Very high	96.1	Very high	115 Å²	115	36 Å²	36	62%	0.615	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	4.2	174.2	-70.8	-24.7	0	0	0	113.6	R76 R136 L137 A138	R76-N140 PolarHBondContact NH1-O 2.84Å; R76-N140 VanDerWaalsContact NH1-O 3.08Å; R136-N140 WeakPolarHBondContact O-CB 3.44Å; R136-N140 PolarHBondContact O-N 3.22Å; R136-N140 PolarHBondContact O-ND2 3.32Å; R136-N140 VanDerWaalsContact O-ND2 3.09Å; L137-N140 CarbonylContact O-C 3.59Å; L137-N140 PolarHBondContact O-N 3.36Å; A138-N140 PolarHBondContact O-N 2.86Å
141	C	93.1	Very high	96.1	Very high	18 Å²	18	36 Å²	36	12%	0.122	18%	0.184	C	C	.	.			trans	-97.2	139.4	171.5	-61.1	0	0	0	0	109.6	E15 R76 L137 A138 D139 L144	E15-C141 HydrophobicContact CB-CB 4.04Å; E15-C141 HydrophobicContact CG-CB 4.33Å; R76-C141 PolarHBondContact NH1-SG 3.32Å; R76-C141 VanDerWaalsContact NH1-SG 3.4Å; L137-C141 PolarHBondContact O-N 3.43Å; L137-C141 PolarHBondContact O-SG 3.46Å; A138-C141 WeakPolarHBondContact O-CB 3.24Å; A138-C141 PolarHBondContact O-N 2.97Å; D139-C141 VanDerWaalsContact C-N 3.3Å; C141-L144 HydrophobicContact CB-CB 3.97Å
142	T	90.2	Very high	96	Very high	97 Å²	97	36.4 Å²	36.4	60%	0.595	19%	0.187	S	C	*	.	S	Bend	trans	-80.7	-24.6	173.9	64.2	0	0	0	0	112.1	Q13 E15	Q13-T142 WeakPolarHBondContact CB-OG1 3.49Å; E15-T142 PolarHBondContact OE1-N 3.32Å; E15-T142 PolarHBondContact OE1-OG1 2.88Å; E15-T142 PolarHBondContact OE2-N 3.28Å
143	G	89.4	Confident	95.9	Very high	24 Å²	24	34.1 Å²	34.1	25%	0.247	18%	0.175	C	C	.	.	S	Bend	trans	-159	64	-178.4	0	0	0	0	0	112.5	E15 Q145	E15-G143 PolarHBondContact N-O 3.2Å; E15-G143 WeakPolarHBondContact OE2-CA 3.4Å; E15-G143 PolarHBondContact OE2-N 3.12Å; G143-Q145 PolarHBondContact O-N 2.99Å; G143-Q145 VanDerWaalsContact O-N 3.09Å
144	L	93.3	Very high	95.7	Very high	13 Å²	13	32.3 Å²	32.3	7%	0.068	17%	0.168	C	C	.	.			trans	-52.1	118.6	176.2	178.1	65.8	0	0	0	110.9	E15 I17 A138 C141 G146 F147 Y173 K176	E15-L144 WeakPolarHBondContact O-CA 3.29Å; I17-L144 HydrophobicContact CB-CD1 4.46Å; I17-L144 HydrophobicContact CD1-CD1 3.75Å; I17-L144 HydrophobicContact CD1-CD2 4.23Å; I17-L144 HydrophobicContact CG1-CD1 3.82Å; A138-L144 HydrophobicContact CB-CD2 3.82Å; C141-L144 HydrophobicContact CB-CB 3.97Å; L144-G146 WeakPolarHBondContact CD1-O 3.33Å; L144-F147 HydrophobicContact CD2-CE1 4.39Å; L144-F147 HydrophobicContact CD2-CE2 4.41Å; L144-F147 HydrophobicContact CD2-CZ 3.87Å; L144-Y173 HydrophobicContact CD2-CD1 4.3Å; L144-Y173 HydrophobicContact CD2-CE1 4.34Å; L144-K176 WeakPolarHBondContact O-CD 3.45Å; L144-K176 VanDerWaalsContact O-CE 3.24Å; L144-K176 WeakPolarHBondContact O-CE 3.28Å; L144-K176 PolarHBondContact O-NZ 3.01Å
145	Q	92.2	Very high	95.5	Very high	32 Å²	32	33 Å²	33	15%	0.15	18%	0.175	C	C	.	.			trans	-82.8	-42.5	175.1	-69.9	-170.9	91.5	0	0	111.9	R14 E15 V16 G143 S177 L264	R14-Q145 HydrophobicContact CB-CG 4.22Å; R14-Q145 HydrophobicContact CG-CG 4.25Å; R14-Q145 PolarHBondContact O-NE2 2.85Å; E15-Q145 PolarHBondContact O-N 2.91Å; V16-Q145 HydrophobicContact CG2-CB 4.38Å; G143-Q145 PolarHBondContact O-N 2.99Å; G143-Q145 VanDerWaalsContact O-N 3.09Å; Q145-S177 PolarHBondContact O-N 2.84Å; Q145-L264 HydrophobicContact CB-CD1 4.04Å
146	G	95.3	Very high	95.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.4	-167.3	-169.7	0	0	0	0	0	114.6	I17 L144 S177	I17-G146 PolarHBondContact N-O 2.82Å; I17-G146 VanDerWaalsContact N-O 3.13Å; L144-G146 WeakPolarHBondContact CD1-O 3.33Å; G146-S177 CarbonylContact C-O 3.58Å; G146-S177 WeakPolarHBondContact CA-O 3.43Å
147	F	97.7	Very high	95.4	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.2	-175.4	-56.6	-82.6	0	0	0	110.2	I17 V19 I134 L144 I149 L169 Y173 K176 S177 K178 L179	I17-F147 HydrophobicContact CB-CD1 3.84Å; I17-F147 HydrophobicContact CB-CE1 4.04Å; I17-F147 HydrophobicContact CD1-CE1 3.97Å; I17-F147 HydrophobicContact CG2-CD1 4.12Å; I17-F147 HydrophobicContact CG2-CE1 4.31Å; I17-F147 CarbonylContact O-C 3.48Å; I17-F147 VanDerWaalsContact O-CA 3.24Å; I17-F147 WeakPolarHBondContact O-CA 3.44Å; V19-F147 HydrophobicContact CG2-CD1 4.43Å; I134-F147 HydrophobicContact CG2-CE1 3.67Å; I134-F147 HydrophobicContact CG2-CZ 4.07Å; L144-F147 HydrophobicContact CD2-CE1 4.39Å; L144-F147 HydrophobicContact CD2-CE2 4.41Å; L144-F147 HydrophobicContact CD2-CZ 3.87Å; F147-I149 HydrophobicContact CB-CD1 3.76Å; F147-I149 HydrophobicContact CB-CG1 4.35Å; F147-L169 HydrophobicContact CE1-CD2 4.24Å; F147-L169 HydrophobicContact CE2-CD2 4.21Å; F147-L169 HydrophobicContact CG-CD1 4.38Å; F147-L169 HydrophobicContact CZ-CD2 3.99Å; F147-Y173 HydrophobicContact CE2-CD1 4.39Å; F147-Y173 HydrophobicContact CE2-CD2 4.05Å; F147-Y173 AromaticContact CE2-CG 3.8Å; F147-Y173 HydrophobicContact CE2-CG 3.8Å; F147-Y173 HydrophobicContact CZ-CD1 4.13Å; F147-Y173 AromaticContact CZ-CD2 3.76Å; F147-Y173 HydrophobicContact CZ-CD2 3.76Å; F147-Y173 HydrophobicContact CZ-CE1 4.47Å; F147-Y173 HydrophobicContact CZ-CE2 4.13Å; F147-Y173 AromaticContact CZ-CG 3.77Å; F147-Y173 HydrophobicContact CZ-CG 3.77Å; F147-K176 HydrophobicContact CD2-CB 4.44Å; F147-K176 HydrophobicContact CE2-CB 4.08Å; F147-S177 PolarHBondContact N-O 2.76Å; F147-K178 HydrophobicContact CB-CG 4.46Å; F147-K178 HydrophobicContact CD2-CG 4.12Å; F147-L179 PolarHBondContact O-N 2.98Å
148	L	98	Very high	95.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.2	163.2	-56.3	-177.1	0	0	0	107.8	V16 I17 S18 V19 F64 F150 L179 F181 T251 L264	V16-L148 HydrophobicContact CG1-CD1 4.14Å; V16-L148 HydrophobicContact CG1-CD2 4.32Å; V16-L148 HydrophobicContact CG1-CG 3.68Å; I17-L148 PolarHBondContact O-N 3.36Å; S18-L148 CarbonylContact C-O 3.55Å; S18-L148 WeakPolarHBondContact CA-O 3.37Å; V19-L148 PolarHBondContact N-O 2.75Å; F64-L148 HydrophobicContact CE1-CD1 3.71Å; F64-L148 HydrophobicContact CZ-CD1 4.03Å; L148-F150 HydrophobicContact CB-CD2 4.44Å; L148-F150 HydrophobicContact CB-CE2 3.6Å; L148-F150 HydrophobicContact CB-CZ 4.15Å; L148-L179 CarbonylContact C-O 3.59Å; L148-L179 WeakPolarHBondContact CA-O 3.19Å; L148-L179 HydrophobicContact CD2-CB 3.93Å; L148-L179 HydrophobicContact CD2-CD1 4.13Å; L148-L179 HydrophobicContact CD2-CG 4.3Å; L148-F181 HydrophobicContact CB-CD2 4.47Å; L148-F181 HydrophobicContact CB-CE2 4.25Å; L148-F181 HydrophobicContact CD1-CE2 4.15Å; L148-F181 HydrophobicContact CD2-CE2 4.15Å; L148-F181 HydrophobicContact CG-CE2 4.39Å; L148-T251 HydrophobicContact CD1-CG2 3.7Å; L148-L264 HydrophobicContact CD2-CD2 4Å
149	I	98.7	Very high	95.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.2	-175.2	-56.6	91.7	0	0	0	108.6	V19 F147 T162 M166 K178 L179 E180 F181	V19-I149 CarbonylContact O-C 3.56Å; V19-I149 WeakPolarHBondContact O-CA 3.36Å; F147-I149 HydrophobicContact CB-CD1 3.76Å; F147-I149 HydrophobicContact CB-CG1 4.35Å; I149-T162 HydrophobicContact CG2-CG2 3.69Å; I149-M166 HydrophobicContact CD1-CE 4.5Å; I149-M166 HydrophobicContact CD1-SD 3.86Å; I149-M166 HydrophobicContact CG1-SD 3.91Å; I149-K178 HydrophobicContact CD1-CB 3.85Å; I149-K178 HydrophobicContact CD1-CG 4.27Å; I149-L179 PolarHBondContact N-O 3.35Å; I149-E180 HydrophobicContact CB-CG 4.19Å; I149-E180 CarbonylContact O-C 3.46Å; I149-E180 VanDerWaalsContact O-CA 3.3Å; I149-E180 WeakPolarHBondContact O-CA 3.41Å; I149-F181 PolarHBondContact O-N 2.9Å
150	F	98.8	Very high	95.6	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.009	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.6	-178.9	-61.1	-102.5	0	0	0	108.8	V19 H20 V21 G25 I28 L148 F181 V247	V19-F150 PolarHBondContact O-N 3.33Å; H20-F150 AromaticContact CE1-CD2 3.16Å; H20-F150 WeakPolarHBondContact CE1-CD2 3.44Å; H20-F150 AromaticContact CE1-CE2 3.41Å; H20-F150 VanDerWaalsContact CE1-CE2 3.41Å; H20-F150 WeakPolarHBondContact CE1-CE2 3.41Å; H20-F150 AromaticContact CE1-CG 3.56Å; H20-F150 AromaticContact CE1-CZ 3.98Å; H20-F150 WeakPolarHBondContact ND1-CB 3.04Å; H20-F150 AromaticContact ND1-CD2 3.33Å; H20-F150 VanDerWaalsContact ND1-CD2 3.33Å; H20-F150 WeakPolarHBondContact ND1-CD2 3.47Å; H20-F150 AromaticContact ND1-CG 3.37Å; H20-F150 WeakPolarHBondContact ND1-CG 3.27Å; H20-F150 AromaticContact NE2-CD2 3.98Å; V21-F150 PolarHBondContact N-O 3.33Å; G25-F150 VanDerWaalsContact CA-O 3.31Å; G25-F150 WeakPolarHBondContact CA-O 3.18Å; I28-F150 HydrophobicContact CG2-CD1 3.71Å; I28-F150 HydrophobicContact CG2-CE1 4.23Å; L148-F150 HydrophobicContact CB-CD2 4.44Å; L148-F150 HydrophobicContact CB-CE2 3.6Å; L148-F150 HydrophobicContact CB-CZ 4.15Å; F150-F181 HydrophobicContact CD1-CB 3.53Å; F150-F181 HydrophobicContact CD1-CD2 4Å; F150-F181 AromaticContact CD1-CG 3.94Å; F150-F181 HydrophobicContact CD1-CG 3.94Å; F150-F181 HydrophobicContact CE1-CB 3.79Å; F150-F181 HydrophobicContact CE1-CD1 4.39Å; F150-F181 AromaticContact CE1-CD2 3.48Å; F150-F181 HydrophobicContact CE1-CD2 3.48Å; F150-F181 VanDerWaalsContact CE1-CD2 3.48Å; F150-F181 HydrophobicContact CE1-CE2 4.12Å; F150-F181 AromaticContact CE1-CG 3.63Å; F150-F181 HydrophobicContact CE1-CG 3.63Å; F150-F181 HydrophobicContact CE2-CD2 4.16Å; F150-F181 HydrophobicContact CG-CB 4.21Å; F150-F181 AromaticContact CZ-CD2 3.57Å; F150-F181 HydrophobicContact CZ-CD2 3.57Å; F150-F181 AromaticContact CZ-CE2 3.9Å; F150-F181 HydrophobicContact CZ-CE2 3.9Å; F150-F181 HydrophobicContact CZ-CG 4.21Å; F150-V247 HydrophobicContact CE1-CB 4.48Å; F150-V247 HydrophobicContact CE1-CG1 3.88Å; F150-V247 HydrophobicContact CE1-CG2 3.72Å; F150-V247 HydrophobicContact CZ-CG1 3.82Å; F150-V247 HydrophobicContact CZ-CG2 4.46Å
151	H	98.5	Very high	95.8	Very high	0 Å²	0	11 Å²	11	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	-177.9	-174.1	75.7	126.3	0	0	0	112.1	V21 F153 G158 T162 E180 F181 I183	V21-H151 HydrophobicContact CB-CB 4.35Å; H151-F153 AromaticContact CE1-CD2 3.64Å; H151-F153 AromaticContact CE1-CE2 3.38Å; H151-F153 WeakPolarHBondContact CE1-CE2 3.37Å; H151-F153 AromaticContact NE2-CD2 3.98Å; H151-F153 AromaticContact NE2-CE2 3.48Å; H151-F153 WeakPolarHBondContact NE2-CE2 3.37Å; H151-G158 WeakPolarHBondContact CB-O 3.17Å; H151-G158 PolarHBondContact ND1-O 2.91Å; H151-T162 HydrophobicContact CB-CG2 4.24Å; H151-E180 IonicContact CE1-OE2 2.81Å; H151-E180 PolarHBondContact CE1-OE2 3.33Å; H151-E180 IonicContact NE2-OE2 3.18Å; H151-E180 PolarHBondContact NE2-OE2 3.01Å; H151-F181 PolarHBondContact N-O 3.26Å; H151-I183 PolarHBondContact O-N 3.26Å
152	S	97.1	Very high	96.1	Very high	15 Å²	15	10.2 Å²	10.2	11%	0.105	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138.5	171.8	177.6	0	0	0	0	110.2	G154 G158 S159 I183	S152-G154 PolarHBondContact O-N 3.47Å; S152-G154 PolarHBondContact OG-N 3.41Å; S152-G158 CarbonylContact O-C 3.56Å; S152-S159 PolarHBondContact O-N 3.22Å; S152-I183 WeakPolarHBondContact CA-O 3.46Å; S152-I183 PolarHBondContact OG-O 3.17Å; S152-I183 VanDerWaalsContact OG-O 3.05Å
153	F	96.5	Very high	96.5	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-20.4	176.1	-81.1	-123.5	0	0	0	112	H151 S159 A182 I183 Y184 N198 S199 T202 T203 M215 F279	H151-F153 AromaticContact CE1-CD2 3.64Å; H151-F153 AromaticContact CE1-CE2 3.38Å; H151-F153 WeakPolarHBondContact CE1-CE2 3.37Å; H151-F153 AromaticContact NE2-CD2 3.98Å; H151-F153 AromaticContact NE2-CE2 3.48Å; H151-F153 WeakPolarHBondContact NE2-CE2 3.37Å; F153-S159 VanDerWaalsContact O-CB 3.31Å; F153-S159 WeakPolarHBondContact O-CB 3.25Å; F153-A182 HydrophobicContact CD2-CB 3.76Å; F153-A182 HydrophobicContact CE2-CB 3.36Å; F153-A182 HydrophobicContact CZ-CB 4.42Å; F153-I183 PolarHBondContact N-O 3.33Å; F153-Y184 HydrophobicContact CB-CD2 4.16Å; F153-Y184 HydrophobicContact CB-CE2 4.44Å; F153-Y184 AromaticContact CD1-CD2 3.89Å; F153-Y184 HydrophobicContact CD1-CD2 3.89Å; F153-Y184 AromaticContact CD1-CE2 3.71Å; F153-Y184 HydrophobicContact CD1-CE2 3.71Å; F153-Y184 HydrophobicContact CD2-CD2 4.43Å; F153-Y184 HydrophobicContact CE1-CD2 4.39Å; F153-Y184 HydrophobicContact CE1-CE2 4.2Å; F153-Y184 AromaticContact CG-CD2 3.9Å; F153-Y184 HydrophobicContact CG-CD2 3.9Å; F153-Y184 HydrophobicContact CG-CE2 4.16Å; F153-N198 CarbonylContact O-C 3.55Å; F153-N198 VanDerWaalsContact O-C 3.22Å; F153-N198 WeakPolarHBondContact O-CB 3.41Å; F153-S199 WeakPolarHBondContact CB-OG 3.38Å; F153-S199 VanDerWaalsContact O-CA 3.23Å; F153-S199 WeakPolarHBondContact O-CA 3.37Å; F153-S199 PolarHBondContact O-N 2.88Å; F153-S199 VanDerWaalsContact O-N 3.11Å; F153-S199 PolarHBondContact O-OG 2.76Å; F153-T202 HydrophobicContact CD1-CG2 4.05Å; F153-T202 HydrophobicContact CD2-CG2 4.44Å; F153-T202 HydrophobicContact CE1-CG2 4.17Å; F153-T202 HydrophobicContact CG-CG2 4.19Å; F153-T202 HydrophobicContact CZ-CG2 4.4Å; F153-T203 VanDerWaalsContact CE1-OG1 3.27Å; F153-T203 WeakPolarHBondContact CE1-OG1 3.42Å; F153-M215 HydrophobicContact CE2-CE 4.45Å; F153-M215 HydrophobicContact CZ-CE 4.3Å; F153-F279 HydrophobicContact CZ-CE1 4.44Å
154	G	93.4	Very high	96.9	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-20.3	-173.5	0	0	0	0	0	115.8	S152 N198	S152-G154 PolarHBondContact O-N 3.47Å; S152-G154 PolarHBondContact OG-N 3.41Å; G154-N198 PolarHBondContact O-ND2 3.05Å
155	G	93.4	Very high	97.2	Very high	14 Å²	14	4.3 Å²	4.3	14%	0.144	3%	0.028	C	C	.	.	S	Bend	trans	-98.3	146.1	-173	0	0	0	0	0	113.2	T157 G158 S159	G155-T157 PolarHBondContact O-N 3.5Å; G155-G158 PolarHBondContact O-N 3.45Å; G155-S159 WeakPolarHBondContact O-CA 3.16Å; G155-S159 WeakPolarHBondContact O-CB 3.37Å; G155-S159 PolarHBondContact O-N 2.86Å; G155-S159 PolarHBondContact O-OG 2.97Å
156	G	96.2	Very high	97.5	Very high	2 Å²	2	2.8 Å²	2.8	2%	0.021	2%	0.021	C	C	.	.	H	α-helix	trans	-59.6	-45.5	-174.3	0	0	0	0	0	114.7	G160	G156-G160 WeakPolarHBondContact O-CA 3.41Å; G156-G160 PolarHBondContact O-N 2.84Å
157	T	98.1	Very high	97.6	Very high	11 Å²	11	5.5 Å²	5.5	7%	0.067	3%	0.034	C	C	.	.	I	π-helix	trans	-70.4	-50.4	173.4	-50.9	0	0	0	0	111.1	V21 D81 L82 G155 S159 F161 T162	V21-T157 HydrophobicContact CG1-CG2 3.93Å; D81-T157 PolarHBondContact OD1-OG1 3.32Å; L82-T157 HydrophobicContact CD1-CG2 4.35Å; L82-T157 HydrophobicContact CG-CG2 3.85Å; G155-T157 PolarHBondContact O-N 3.5Å; T157-S159 PolarHBondContact O-N 3.36Å; T157-F161 HydrophobicContact CG2-CB 4.07Å; T157-F161 VanDerWaalsContact O-CB 3.27Å; T157-F161 WeakPolarHBondContact O-CB 3.29Å; T157-F161 PolarHBondContact O-N 2.96Å; T157-F161 VanDerWaalsContact O-N 3.14Å; T157-T162 PolarHBondContact O-N 3.35Å
158	G	97.5	Very high	97.6	Very high	4 Å²	4	10.5 Å²	10.5	4%	0.041	5%	0.053	C	C	.	.	I	π-helix	trans	-61.8	-26.5	-176.5	0	0	0	0	0	113.7	H151 S152 G155 T162	H151-G158 WeakPolarHBondContact CB-O 3.17Å; H151-G158 PolarHBondContact ND1-O 2.91Å; S152-G158 CarbonylContact O-C 3.56Å; G155-G158 PolarHBondContact O-N 3.45Å; G158-T162 WeakPolarHBondContact O-CB 3.44Å; G158-T162 PolarHBondContact O-OG1 3.33Å
159	S	98	Very high	97.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.053	C	C	.	.	I	π-helix	trans	-98.4	-65.7	-177.9	85.7	0	0	0	0	109.3	S152 F153 G155 T157 T162 S163 N198 T202	S152-S159 PolarHBondContact O-N 3.22Å; F153-S159 VanDerWaalsContact O-CB 3.31Å; F153-S159 WeakPolarHBondContact O-CB 3.25Å; G155-S159 WeakPolarHBondContact O-CA 3.16Å; G155-S159 WeakPolarHBondContact O-CB 3.37Å; G155-S159 PolarHBondContact O-N 2.86Å; G155-S159 PolarHBondContact O-OG 2.97Å; T157-S159 PolarHBondContact O-N 3.36Å; S159-T162 PolarHBondContact O-N 3.34Å; S159-S163 WeakPolarHBondContact O-CB 3.22Å; S159-S163 PolarHBondContact O-N 2.83Å; S159-S163 PolarHBondContact O-OG 3.08Å; S159-S163 VanDerWaalsContact O-OG 3.07Å; S159-N198 WeakPolarHBondContact OG-CB 3.3Å; S159-T202 WeakPolarHBondContact CA-OG1 3.33Å; S159-T202 WeakPolarHBondContact CB-OG1 3.49Å; S159-T202 PolarHBondContact O-OG1 2.94Å; S159-T202 VanDerWaalsContact O-OG1 3.13Å
160	G	98.2	Very high	97.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.	I	π-helix	trans	-66.7	-49.6	-174.4	0	0	0	0	0	114.8	Y115 G118 H119 G156 T162 S163 L164	Y115-G160 WeakPolarHBondContact O-CA 3.43Å; G118-G160 CarbonylContact O-C 3.51Å; H119-G160 WeakPolarHBondContact CB-O 3.5Å; H119-G160 PolarHBondContact CD2-O 2.85Å; G156-G160 WeakPolarHBondContact O-CA 3.41Å; G156-G160 PolarHBondContact O-N 2.84Å; G160-T162 VanDerWaalsContact C-N 3.33Å; G160-S163 PolarHBondContact O-N 2.8Å; G160-L164 PolarHBondContact O-N 2.79Å; G160-L164 VanDerWaalsContact O-N 3.13Å
161	F	98.6	Very high	97.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-69.3	-35.3	179.5	-179.4	-101.6	0	0	0	111.6	V21 V80 L82 G118 G123 I126 I127 V130 T157 L164 L165	V21-F161 HydrophobicContact CG1-CD1 3.7Å; V21-F161 HydrophobicContact CG1-CE1 4.48Å; V80-F161 HydrophobicContact CB-CE1 4.23Å; V80-F161 HydrophobicContact CG1-CD1 4.25Å; V80-F161 HydrophobicContact CG1-CE1 3.67Å; V80-F161 HydrophobicContact CG1-CZ 4.18Å; L82-F161 HydrophobicContact CD1-CB 4.47Å; L82-F161 HydrophobicContact CD2-CD2 4.39Å; G118-F161 WeakPolarHBondContact O-CA 3.47Å; G118-F161 WeakPolarHBondContact O-CB 3.23Å; G118-F161 PolarHBondContact O-N 2.85Å; G123-F161 WeakPolarHBondContact O-CE2 3.33Å; I126-F161 HydrophobicContact CG2-CD2 4.18Å; I126-F161 HydrophobicContact CG2-CE2 3.52Å; I126-F161 HydrophobicContact CG2-CZ 3.93Å; I127-F161 HydrophobicContact CB-CE2 4.01Å; I127-F161 HydrophobicContact CD1-CE2 3.91Å; I127-F161 HydrophobicContact CD1-CZ 3.88Å; V130-F161 HydrophobicContact CB-CZ 4.14Å; V130-F161 HydrophobicContact CG1-CZ 4.35Å; V130-F161 HydrophobicContact CG2-CE1 4.28Å; V130-F161 HydrophobicContact CG2-CZ 3.76Å; T157-F161 HydrophobicContact CG2-CB 4.07Å; T157-F161 VanDerWaalsContact O-CB 3.27Å; T157-F161 WeakPolarHBondContact O-CB 3.29Å; T157-F161 PolarHBondContact O-N 2.96Å; T157-F161 VanDerWaalsContact O-N 3.14Å; F161-L164 HydrophobicContact CD2-CD2 4.47Å; F161-L164 PolarHBondContact O-N 2.91Å; F161-L165 VanDerWaalsContact O-CB 3.31Å; F161-L165 WeakPolarHBondContact O-CB 3.4Å; F161-L165 PolarHBondContact O-N 3.35Å
162	T	98.7	Very high	97.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.7	-43.4	174.4	-54.9	0	0	0	0	111.6	V21 I149 H151 T157 G158 S159 G160 L164 L165 M166	V21-T162 WeakPolarHBondContact CB-OG1 3.26Å; V21-T162 VanDerWaalsContact CG1-OG1 3.24Å; V21-T162 WeakPolarHBondContact CG1-OG1 3.39Å; I149-T162 HydrophobicContact CG2-CG2 3.69Å; H151-T162 HydrophobicContact CB-CG2 4.24Å; T157-T162 PolarHBondContact O-N 3.35Å; G158-T162 WeakPolarHBondContact O-CB 3.44Å; G158-T162 PolarHBondContact O-OG1 3.33Å; S159-T162 PolarHBondContact O-N 3.34Å; G160-T162 VanDerWaalsContact C-N 3.33Å; T162-L164 PolarHBondContact O-N 2.9Å; T162-L165 WeakPolarHBondContact O-CB 3.22Å; T162-L165 PolarHBondContact O-N 3.22Å; T162-L165 VanDerWaalsContact O-N 3.14Å; T162-M166 HydrophobicContact CG2-CG 4.06Å; T162-M166 WeakPolarHBondContact O-CB 3.31Å; T162-M166 VanDerWaalsContact O-CG 3.22Å; T162-M166 WeakPolarHBondContact O-CG 3.42Å; T162-M166 PolarHBondContact O-N 2.79Å
163	S	98.5	Very high	97.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.6	-48.7	175.6	-69.9	0	0	0	0	111.8	Y115 S159 G160 L165 M166 E167 T202	Y115-S163 WeakPolarHBondContact CE2-OG 3.35Å; Y115-S163 WeakPolarHBondContact OH-CB 3.24Å; S159-S163 WeakPolarHBondContact O-CB 3.22Å; S159-S163 PolarHBondContact O-N 2.83Å; S159-S163 PolarHBondContact O-OG 3.08Å; S159-S163 VanDerWaalsContact O-OG 3.07Å; G160-S163 PolarHBondContact O-N 2.8Å; S163-L165 VanDerWaalsContact C-N 3.32Å; S163-L165 PolarHBondContact O-N 3.07Å; S163-M166 PolarHBondContact O-N 2.78Å; S163-E167 PolarHBondContact O-N 3.31Å; S163-E167 VanDerWaalsContact O-N 3.12Å; S163-T202 PolarHBondContact OG-OG1 3.4Å
164	L	98.5	Very high	97.3	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.052	14%	0.141	C	C	.	.	H	α-helix	trans	-58.5	-43.7	173.7	176.1	66.1	0	0	0	112	H119 K124 I127 G160 F161 T162 R168	H119-L164 PolarHBondContact CD2-N 2.68Å; K124-L164 HydrophobicContact CG-CD2 4.05Å; I127-L164 HydrophobicContact CB-CD2 3.92Å; I127-L164 HydrophobicContact CD1-CG 4.38Å; I127-L164 HydrophobicContact CG1-CD2 4.08Å; I127-L164 HydrophobicContact CG1-CG 4.17Å; I127-L164 HydrophobicContact CG2-CD2 4.19Å; G160-L164 PolarHBondContact O-N 2.79Å; G160-L164 VanDerWaalsContact O-N 3.13Å; F161-L164 HydrophobicContact CD2-CD2 4.47Å; F161-L164 PolarHBondContact O-N 2.91Å; T162-L164 PolarHBondContact O-N 2.9Å; L164-R168 VanDerWaalsContact O-CG 3.31Å; L164-R168 WeakPolarHBondContact O-CG 3.38Å; L164-R168 PolarHBondContact O-N 3.31Å
165	L	98.7	Very high	97.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-42.3	178.8	176	63.7	0	0	0	111.9	V19 V21 I127 V130 L131 I134 F161 T162 S163 R168 L169	V19-L165 HydrophobicContact CG1-CD2 3.73Å; V21-L165 HydrophobicContact CG2-CD2 4.24Å; I127-L165 HydrophobicContact CD1-CB 4.14Å; I127-L165 HydrophobicContact CD1-CD1 3.82Å; V130-L165 HydrophobicContact CG1-CD1 4.15Å; L131-L165 HydrophobicContact CD2-CD1 4.1Å; I134-L165 HydrophobicContact CD1-CD1 3.81Å; F161-L165 VanDerWaalsContact O-CB 3.31Å; F161-L165 WeakPolarHBondContact O-CB 3.4Å; F161-L165 PolarHBondContact O-N 3.35Å; T162-L165 WeakPolarHBondContact O-CB 3.22Å; T162-L165 PolarHBondContact O-N 3.22Å; T162-L165 VanDerWaalsContact O-N 3.14Å; S163-L165 VanDerWaalsContact C-N 3.32Å; S163-L165 PolarHBondContact O-N 3.07Å; L165-R168 PolarHBondContact O-N 3.12Å; L165-L169 HydrophobicContact CD1-CD1 4.26Å; L165-L169 HydrophobicContact CD1-CG 4.06Å; L165-L169 HydrophobicContact CG-CD1 4Å; L165-L169 HydrophobicContact CG-CG 4.23Å; L165-L169 WeakPolarHBondContact O-CB 3.33Å; L165-L169 WeakPolarHBondContact O-CG 3.33Å; L165-L169 PolarHBondContact O-N 3.13Å
166	M	98.5	Very high	97.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.5	-40.7	-179.3	-73.9	-70.2	-79.2	0	0	111.9	I149 T162 S163 R168 L169 S170 K178 E180 T206 H209	I149-M166 HydrophobicContact CD1-CE 4.5Å; I149-M166 HydrophobicContact CD1-SD 3.86Å; I149-M166 HydrophobicContact CG1-SD 3.91Å; T162-M166 HydrophobicContact CG2-CG 4.06Å; T162-M166 WeakPolarHBondContact O-CB 3.31Å; T162-M166 VanDerWaalsContact O-CG 3.22Å; T162-M166 WeakPolarHBondContact O-CG 3.42Å; T162-M166 PolarHBondContact O-N 2.79Å; S163-M166 PolarHBondContact O-N 2.78Å; M166-R168 VanDerWaalsContact C-N 3.34Å; M166-R168 PolarHBondContact O-N 3.39Å; M166-L169 PolarHBondContact O-N 2.77Å; M166-S170 WeakPolarHBondContact O-CB 3.33Å; M166-S170 PolarHBondContact O-N 2.8Å; M166-S170 PolarHBondContact O-OG 3.48Å; M166-S170 VanDerWaalsContact O-OG 3.09Å; M166-K178 HydrophobicContact CE-CB 3.97Å; M166-K178 HydrophobicContact CE-CD 4.23Å; M166-K178 HydrophobicContact SD-CB 4.41Å; M166-K178 HydrophobicContact SD-CD 4.21Å; M166-E180 HydrophobicContact CE-CG 4.26Å; M166-T206 HydrophobicContact CB-CG2 4.34Å; M166-T206 HydrophobicContact CG-CG2 4.23Å; M166-H209 HydrophobicContact CB-CB 4.02Å; M166-H209 HydrophobicContact CE-CB 4.22Å; M166-H209 VanDerWaalsContact CE-O 3.3Å; M166-H209 WeakPolarHBondContact CE-O 3.23Å
167	E	98.1	Very high	97.2	Very high	58 Å²	58	37.4 Å²	37.4	27%	0.271	20%	0.195	S	C	.	.	H	α-helix	trans	-56	-49.3	171	-70.7	168.5	-150.7	0	0	111	H119 S163 S170 V171 T205 H209	H119-E167 IonicContact CD2-OE1 3.54Å; H119-E167 IonicContact CE1-OE1 3.21Å; H119-E167 PolarHBondContact CE1-OE1 2.82Å; H119-E167 IonicContact NE2-OE1 2.69Å; H119-E167 PolarHBondContact NE2-OE1 2.81Å; H119-E167 IonicContact NE2-OE2 3.38Å; S163-E167 PolarHBondContact O-N 3.31Å; S163-E167 VanDerWaalsContact O-N 3.12Å; E167-S170 PolarHBondContact O-N 3.4Å; E167-V171 WeakPolarHBondContact O-CG2 3.01Å; E167-V171 PolarHBondContact O-N 3.07Å; E167-V171 VanDerWaalsContact O-N 3.15Å; E167-T205 HydrophobicContact CG-CG2 4.2Å; E167-T205 WeakPolarHBondContact OE1-CG2 3.14Å; E167-H209 WeakPolarHBondContact CG-NE2 3.47Å
168	R	98.2	Very high	97.2	Very high	104 Å²	104	37.2 Å²	37.2	39%	0.392	19%	0.193	S	C	.	.	H	α-helix	trans	-67.3	-39.1	-178.7	-63.1	-59.8	-130.4	-170.3	8.7	112.7	I127 E128 L131 L164 L165 M166 S170 V171 D172	I127-R168 HydrophobicContact CD1-CG 4.39Å; I127-R168 HydrophobicContact CG1-CG 4.08Å; E128-R168 IonicContact OE1-CZ 3.78Å; E128-R168 IonicContact OE1-NH2 3.49Å; E128-R168 PolarHBondContact OE1-NH2 3.15Å; L131-R168 HydrophobicContact CD1-CB 3.82Å; L131-R168 HydrophobicContact CD1-CG 4.01Å; L131-R168 HydrophobicContact CD2-CB 3.84Å; L131-R168 HydrophobicContact CG-CB 4.39Å; L164-R168 VanDerWaalsContact O-CG 3.31Å; L164-R168 WeakPolarHBondContact O-CG 3.38Å; L164-R168 PolarHBondContact O-N 3.31Å; L165-R168 PolarHBondContact O-N 3.12Å; M166-R168 VanDerWaalsContact C-N 3.34Å; M166-R168 PolarHBondContact O-N 3.39Å; R168-S170 VanDerWaalsContact C-N 3.31Å; R168-S170 PolarHBondContact O-N 2.86Å; R168-V171 PolarHBondContact O-N 2.89Å; R168-D172 PolarHBondContact O-N 3.36Å
169	L	98.4	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.5	-36.2	174.5	-74	179.3	0	0	0	112	I134 F147 L165 M166 V171 Y173 K178	I134-L169 HydrophobicContact CD1-CD2 3.93Å; I134-L169 HydrophobicContact CG2-CD2 4.07Å; F147-L169 HydrophobicContact CE1-CD2 4.24Å; F147-L169 HydrophobicContact CE2-CD2 4.21Å; F147-L169 HydrophobicContact CG-CD1 4.38Å; F147-L169 HydrophobicContact CZ-CD2 3.99Å; L165-L169 HydrophobicContact CD1-CD1 4.26Å; L165-L169 HydrophobicContact CD1-CG 4.06Å; L165-L169 HydrophobicContact CG-CD1 4Å; L165-L169 HydrophobicContact CG-CG 4.23Å; L165-L169 WeakPolarHBondContact O-CB 3.33Å; L165-L169 WeakPolarHBondContact O-CG 3.33Å; L165-L169 PolarHBondContact O-N 3.13Å; M166-L169 PolarHBondContact O-N 2.77Å; L169-V171 VanDerWaalsContact C-N 3.31Å; L169-Y173 HydrophobicContact CD2-CD2 3.75Å; L169-Y173 HydrophobicContact CD2-CE2 4.12Å; L169-Y173 CarbonylContact O-C 3.6Å; L169-Y173 VanDerWaalsContact O-CA 3.24Å; L169-Y173 WeakPolarHBondContact O-CA 3.37Å; L169-Y173 VanDerWaalsContact O-CB 3.31Å; L169-Y173 WeakPolarHBondContact O-CB 3.4Å; L169-Y173 PolarHBondContact O-N 3.27Å; L169-K178 HydrophobicContact CB-CD 4.17Å
170	S	97.5	Very high	97.2	Very high	27 Å²	27	37 Å²	37	19%	0.189	19%	0.191	C	C	.	.	H	α-helix	trans	-66.8	-33.5	175.1	-67.7	0	0	0	0	112.4	M166 E167 R168 G174 K178 H209	M166-S170 WeakPolarHBondContact O-CB 3.33Å; M166-S170 PolarHBondContact O-N 2.8Å; M166-S170 PolarHBondContact O-OG 3.48Å; M166-S170 VanDerWaalsContact O-OG 3.09Å; E167-S170 PolarHBondContact O-N 3.4Å; R168-S170 VanDerWaalsContact C-N 3.31Å; R168-S170 PolarHBondContact O-N 2.86Å; S170-G174 WeakPolarHBondContact O-CA 3.47Å; S170-G174 PolarHBondContact O-N 3.1Å; S170-G174 VanDerWaalsContact O-N 3.13Å; S170-K178 WeakPolarHBondContact OG-CE 3.24Å; S170-H209 WeakPolarHBondContact OG-CB 3.42Å; S170-H209 PolarHBondContact OG-ND1 3.37Å
171	V	97.8	Very high	97.2	Very high	113 Å²	113	37.4 Å²	37.4	69%	0.685	19%	0.193	S	C	*	.	H	α-helix	trans	-68.5	-51.9	173.5	174.9	0	0	0	0	111.5	E167 R168 L169	E167-V171 WeakPolarHBondContact O-CG2 3.01Å; E167-V171 PolarHBondContact O-N 3.07Å; E167-V171 VanDerWaalsContact O-N 3.15Å; R168-V171 PolarHBondContact O-N 2.89Å; L169-V171 VanDerWaalsContact C-N 3.31Å
172	D	97.8	Very high	97.1	Very high	79 Å²	79	37.4 Å²	37.4	42%	0.422	19%	0.193	S	C	.	.	H	α-helix	trans	-80.5	-29.5	-172.8	-75.1	-1.6	0	0	0	112.9	R135 R168	R135-D172 IonicContact NH2-OD2 3.76Å; R168-D172 PolarHBondContact O-N 3.36Å
173	Y	97.1	Very high	97	Very high	35 Å²	35	37.7 Å²	37.7	14%	0.137	19%	0.194	C	C	.	.	H	α-helix	trans	-134.1	35.2	-170.9	-56.9	-80.8	0	0	0	113.1	I134 R135 A138 L144 F147 L169 K175 K176	I134-Y173 HydrophobicContact CG2-CE2 3.88Å; R135-Y173 WeakPolarHBondContact CA-OH 3.41Å; A138-Y173 HydrophobicContact CB-CE1 3.84Å; L144-Y173 HydrophobicContact CD2-CD1 4.3Å; L144-Y173 HydrophobicContact CD2-CE1 4.34Å; F147-Y173 HydrophobicContact CE2-CD1 4.39Å; F147-Y173 HydrophobicContact CE2-CD2 4.05Å; F147-Y173 AromaticContact CE2-CG 3.8Å; F147-Y173 HydrophobicContact CE2-CG 3.8Å; F147-Y173 HydrophobicContact CZ-CD1 4.13Å; F147-Y173 AromaticContact CZ-CD2 3.76Å; F147-Y173 HydrophobicContact CZ-CD2 3.76Å; F147-Y173 HydrophobicContact CZ-CE1 4.47Å; F147-Y173 HydrophobicContact CZ-CE2 4.13Å; F147-Y173 AromaticContact CZ-CG 3.77Å; F147-Y173 HydrophobicContact CZ-CG 3.77Å; L169-Y173 HydrophobicContact CD2-CD2 3.75Å; L169-Y173 HydrophobicContact CD2-CE2 4.12Å; L169-Y173 CarbonylContact O-C 3.6Å; L169-Y173 VanDerWaalsContact O-CA 3.24Å; L169-Y173 WeakPolarHBondContact O-CA 3.37Å; L169-Y173 VanDerWaalsContact O-CB 3.31Å; L169-Y173 WeakPolarHBondContact O-CB 3.4Å; L169-Y173 PolarHBondContact O-N 3.27Å; Y173-K175 PolarHBondContact O-N 2.86Å; Y173-K176 HydrophobicContact CD1-CG 4.34Å; Y173-K176 WeakPolarHBondContact O-CB 3.35Å; Y173-K176 PolarHBondContact O-N 3.39Å
174	G	92.2	Very high	96.9	Very high	53 Å²	53	38 Å²	38	55%	0.546	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-21.9	-172.3	0	0	0	0	0	117.2	S170	S170-G174 WeakPolarHBondContact O-CA 3.47Å; S170-G174 PolarHBondContact O-N 3.1Å; S170-G174 VanDerWaalsContact O-N 3.13Å
175	K	91.5	Very high	96.5	Very high	211 Å²	211	38 Å²	38	92%	0.917	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-1.4	176	-63.9	-175.8	179.5	179.9	0	114.6	Y173	Y173-K175 PolarHBondContact O-N 2.86Å
176	K	94.6	Very high	96	Very high	73 Å²	73	38.2 Å²	38.2	32%	0.317	20%	0.198	S	C	.	.	S	Bend	trans	-97.5	137.2	-176.4	-58.7	-57	-176	-178.2	0	109.8	L144 F147 Y173 K178	L144-K176 WeakPolarHBondContact O-CD 3.45Å; L144-K176 VanDerWaalsContact O-CE 3.24Å; L144-K176 WeakPolarHBondContact O-CE 3.28Å; L144-K176 PolarHBondContact O-NZ 3.01Å; F147-K176 HydrophobicContact CD2-CB 4.44Å; F147-K176 HydrophobicContact CE2-CB 4.08Å; Y173-K176 HydrophobicContact CD1-CG 4.34Å; Y173-K176 WeakPolarHBondContact O-CB 3.35Å; Y173-K176 PolarHBondContact O-N 3.39Å; K176-K178 PolarHBondContact O-NZ 3.43Å
177	S	95.5	Very high	95	Very high	8 Å²	8	40.2 Å²	40.2	6%	0.056	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	141.6	-179.2	-55	0	0	0	0	111.1	Q145 G146 F147 D211	Q145-S177 PolarHBondContact O-N 2.84Å; G146-S177 CarbonylContact C-O 3.58Å; G146-S177 WeakPolarHBondContact CA-O 3.43Å; F147-S177 PolarHBondContact N-O 2.76Å; S177-D211 WeakPolarHBondContact CA-OD2 3.36Å
178	K	97.3	Very high	94.2	Very high	7 Å²	7	45.6 Å²	45.6	3%	0.03	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	102.1	174.8	-70.5	165.1	-69.5	-63.3	0	107.6	F147 I149 M166 L169 S170 K176 H209 D211	F147-K178 HydrophobicContact CB-CG 4.46Å; F147-K178 HydrophobicContact CD2-CG 4.12Å; I149-K178 HydrophobicContact CD1-CB 3.85Å; I149-K178 HydrophobicContact CD1-CG 4.27Å; M166-K178 HydrophobicContact CE-CB 3.97Å; M166-K178 HydrophobicContact CE-CD 4.23Å; M166-K178 HydrophobicContact SD-CB 4.41Å; M166-K178 HydrophobicContact SD-CD 4.21Å; L169-K178 HydrophobicContact CB-CD 4.17Å; S170-K178 WeakPolarHBondContact OG-CE 3.24Å; K176-K178 PolarHBondContact O-NZ 3.43Å; K178-H209 WeakPolarHBondContact CD-O 3.24Å; K178-H209 WeakPolarHBondContact CE-O 3.42Å; K178-D211 PolarHBondContact N-OD2 3.43Å; K178-D211 PolarHBondContact O-N 2.98Å
179	L	97.3	Very high	93.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.9	177.1	-47.4	-175.2	0	0	0	109.4	F147 L148 I149 D211 C212 F214 L264 F267	F147-L179 PolarHBondContact O-N 2.98Å; L148-L179 CarbonylContact C-O 3.59Å; L148-L179 WeakPolarHBondContact CA-O 3.19Å; L148-L179 HydrophobicContact CD2-CB 3.93Å; L148-L179 HydrophobicContact CD2-CD1 4.13Å; L148-L179 HydrophobicContact CD2-CG 4.3Å; I149-L179 PolarHBondContact N-O 3.35Å; L179-D211 HydrophobicContact CD2-CB 4.23Å; L179-C212 CarbonylContact C-O 3.5Å; L179-C212 VanDerWaalsContact CA-O 3.3Å; L179-C212 WeakPolarHBondContact CA-O 3.5Å; L179-C212 HydrophobicContact CD2-CB 3.71Å; L179-F214 HydrophobicContact CB-CE2 4.11Å; L179-F214 HydrophobicContact CD1-CE2 4.07Å; L179-F214 HydrophobicContact CD1-CZ 4.36Å; L179-L264 HydrophobicContact CD1-CB 4.29Å; L179-L264 HydrophobicContact CD1-CD2 3.61Å; L179-L264 HydrophobicContact CD1-CG 4.47Å; L179-F267 HydrophobicContact CD1-CB 4.42Å; L179-F267 HydrophobicContact CD1-CD2 3.98Å
180	E	98.2	Very high	92.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.7	-178.6	-61.3	176.1	-74.6	0	0	111	I149 H151 M166 S210 C212 A213 F214	I149-E180 HydrophobicContact CB-CG 4.19Å; I149-E180 CarbonylContact O-C 3.46Å; I149-E180 VanDerWaalsContact O-CA 3.3Å; I149-E180 WeakPolarHBondContact O-CA 3.41Å; H151-E180 IonicContact CE1-OE2 2.81Å; H151-E180 PolarHBondContact CE1-OE2 3.33Å; H151-E180 IonicContact NE2-OE2 3.18Å; H151-E180 PolarHBondContact NE2-OE2 3.01Å; M166-E180 HydrophobicContact CE-CG 4.26Å; E180-S210 WeakPolarHBondContact OE1-CB 3.39Å; E180-S210 PolarHBondContact OE1-OG 3.3Å; E180-C212 PolarHBondContact N-O 2.81Å; E180-A213 HydrophobicContact CB-CB 4.01Å; E180-F214 WeakPolarHBondContact O-CB 3.24Å; E180-F214 WeakPolarHBondContact O-CD2 3.34Å; E180-F214 PolarHBondContact O-N 2.9Å
181	F	98.1	Very high	91.4	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.035	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	101.6	164.1	-71.1	-87.7	0	0	0	107	L148 I149 F150 H151 F214 I246 V247 I250	L148-F181 HydrophobicContact CB-CD2 4.47Å; L148-F181 HydrophobicContact CB-CE2 4.25Å; L148-F181 HydrophobicContact CD1-CE2 4.15Å; L148-F181 HydrophobicContact CD2-CE2 4.15Å; L148-F181 HydrophobicContact CG-CE2 4.39Å; I149-F181 PolarHBondContact O-N 2.9Å; F150-F181 HydrophobicContact CD1-CB 3.53Å; F150-F181 HydrophobicContact CD1-CD2 4Å; F150-F181 AromaticContact CD1-CG 3.94Å; F150-F181 HydrophobicContact CD1-CG 3.94Å; F150-F181 HydrophobicContact CE1-CB 3.79Å; F150-F181 HydrophobicContact CE1-CD1 4.39Å; F150-F181 AromaticContact CE1-CD2 3.48Å; F150-F181 HydrophobicContact CE1-CD2 3.48Å; F150-F181 VanDerWaalsContact CE1-CD2 3.48Å; F150-F181 HydrophobicContact CE1-CE2 4.12Å; F150-F181 AromaticContact CE1-CG 3.63Å; F150-F181 HydrophobicContact CE1-CG 3.63Å; F150-F181 HydrophobicContact CE2-CD2 4.16Å; F150-F181 HydrophobicContact CG-CB 4.21Å; F150-F181 AromaticContact CZ-CD2 3.57Å; F150-F181 HydrophobicContact CZ-CD2 3.57Å; F150-F181 AromaticContact CZ-CE2 3.9Å; F150-F181 HydrophobicContact CZ-CE2 3.9Å; F150-F181 HydrophobicContact CZ-CG 4.21Å; H151-F181 PolarHBondContact N-O 3.26Å; F181-F214 HydrophobicContact CD1-CB 4.23Å; F181-F214 HydrophobicContact CD1-CD2 4.14Å; F181-F214 HydrophobicContact CE1-CB 4.49Å; F181-F214 AromaticContact CE1-CD2 3.82Å; F181-F214 HydrophobicContact CE1-CD2 3.82Å; F181-F214 HydrophobicContact CE1-CG 4.48Å; F181-F214 HydrophobicContact CE2-CD2 4.3Å; F181-F214 AromaticContact CZ-CD2 3.91Å; F181-F214 HydrophobicContact CZ-CD2 3.91Å; F181-F214 HydrophobicContact CZ-CE2 4.25Å; F181-I246 HydrophobicContact CE1-CG2 4.46Å; F181-V247 HydrophobicContact CD1-CG2 3.61Å; F181-V247 HydrophobicContact CE1-CB 4.19Å; F181-V247 HydrophobicContact CE1-CG1 4.47Å; F181-V247 HydrophobicContact CE1-CG2 3.51Å; F181-V247 HydrophobicContact CE2-CG1 4.5Å; F181-V247 HydrophobicContact CG-CG2 4.17Å; F181-V247 HydrophobicContact CZ-CB 4.37Å; F181-V247 HydrophobicContact CZ-CG1 4.19Å; F181-V247 HydrophobicContact CZ-CG2 4.05Å; F181-I250 HydrophobicContact CE1-CD1 3.6Å; F181-I250 HydrophobicContact CE1-CG1 4.49Å; F181-I250 HydrophobicContact CZ-CB 4.25Å; F181-I250 HydrophobicContact CZ-CD1 3.91Å; F181-I250 HydrophobicContact CZ-CG2 4.17Å
182	A	97.2	Very high	90.9	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.6	-162.3	0	0	0	0	0	112	F153 Y184 F214 M215 V216	F153-A182 HydrophobicContact CD2-CB 3.76Å; F153-A182 HydrophobicContact CE2-CB 3.36Å; F153-A182 HydrophobicContact CZ-CB 4.42Å; A182-Y184 PolarHBondContact O-N 3.11Å; A182-F214 PolarHBondContact N-O 3Å; A182-F214 VanDerWaalsContact N-O 3.08Å; A182-M215 HydrophobicContact CB-SD 3.99Å; A182-V216 WeakPolarHBondContact O-CG2 3.39Å; A182-V216 PolarHBondContact O-N 3.41Å
183	I	96.6	Very high	90.5	Very high	5 Å²	5	45 Å²	45	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	110.8	164.8	-55	-58.6	0	0	0	109	A24 I28 H151 S152 F153 V216 N218 I243	A24-I183 HydrophobicContact CB-CG1 4.28Å; I28-I183 HydrophobicContact CD1-CD1 3.68Å; I28-I183 HydrophobicContact CD1-CG1 3.66Å; H151-I183 PolarHBondContact O-N 3.26Å; S152-I183 WeakPolarHBondContact CA-O 3.46Å; S152-I183 PolarHBondContact OG-O 3.17Å; S152-I183 VanDerWaalsContact OG-O 3.05Å; F153-I183 PolarHBondContact N-O 3.33Å; I183-V216 CarbonylContact C-O 3.42Å; I183-V216 WeakPolarHBondContact CA-O 3.33Å; I183-V216 HydrophobicContact CD1-CG2 3.4Å; I183-N218 WeakPolarHBondContact CG2-ND2 3.34Å; I183-I243 HydrophobicContact CD1-CD1 3.58Å
184	Y	95.3	Very high	90.5	Very high	6 Å²	6	43.5 Å²	43.5	2%	0.024	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	153	178.3	-155.7	-110.3	0	0	0	112.3	F153 A182 A186 M215 V216 D217 A399 W400 L403	F153-Y184 HydrophobicContact CB-CD2 4.16Å; F153-Y184 HydrophobicContact CB-CE2 4.44Å; F153-Y184 AromaticContact CD1-CD2 3.89Å; F153-Y184 HydrophobicContact CD1-CD2 3.89Å; F153-Y184 AromaticContact CD1-CE2 3.71Å; F153-Y184 HydrophobicContact CD1-CE2 3.71Å; F153-Y184 HydrophobicContact CD2-CD2 4.43Å; F153-Y184 HydrophobicContact CE1-CD2 4.39Å; F153-Y184 HydrophobicContact CE1-CE2 4.2Å; F153-Y184 AromaticContact CG-CD2 3.9Å; F153-Y184 HydrophobicContact CG-CD2 3.9Å; F153-Y184 HydrophobicContact CG-CE2 4.16Å; A182-Y184 PolarHBondContact O-N 3.11Å; Y184-A186 PolarHBondContact O-N 3.44Å; Y184-M215 HydrophobicContact CD1-CE 4.5Å; Y184-M215 HydrophobicContact CD2-CE 3.11Å; Y184-M215 HydrophobicContact CE2-CE 3.82Å; Y184-M215 HydrophobicContact CG-CE 3.54Å; Y184-V216 PolarHBondContact N-O 3.23Å; Y184-D217 WeakPolarHBondContact O-CB 3.4Å; Y184-A399 HydrophobicContact CD1-CB 4.44Å; Y184-A399 HydrophobicContact CE1-CB 4.03Å; Y184-W400 HydrophobicContact CD2-CZ3 4.33Å; Y184-W400 HydrophobicContact CE1-CE3 4.21Å; Y184-W400 AromaticContact CE1-CZ3 3.98Å; Y184-W400 HydrophobicContact CE1-CZ3 3.98Å; Y184-W400 HydrophobicContact CE2-CE3 4.24Å; Y184-W400 HydrophobicContact CE2-CH2 4.22Å; Y184-W400 AromaticContact CE2-CZ3 3.41Å; Y184-W400 HydrophobicContact CE2-CZ3 3.41Å; Y184-W400 VanDerWaalsContact CE2-CZ3 3.41Å; Y184-W400 AromaticContact CZ-CE3 3.58Å; Y184-W400 AromaticContact CZ-CZ3 3.19Å; Y184-W400 WeakPolarHBondContact OH-CZ3 3.23Å; Y184-L403 WeakPolarHBondContact OH-CD2 3.23Å
185	P	91.6	Very high	90.6	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.071	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-56.8	135	174.9	-28.6	37.1	0	0	0	113.1	E195 S199 L403	P185-E195 HydrophobicContact CB-CG 3.94Å; P185-E195 HydrophobicContact CG-CG 3.74Å; P185-S199 WeakPolarHBondContact CG-OG 3.47Å; P185-L403 HydrophobicContact CB-CD1 4.39Å; P185-L403 HydrophobicContact CG-CD1 4.17Å
186	A	86.3	Confident	90.9	Very high	4 Å²	4	31.8 Å²	31.8	3%	0.033	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-95	157.2	172.7	0	0	0	0	0	111.7	Y184 Q188 V189 D217 E219 K406	Y184-A186 PolarHBondContact O-N 3.44Å; A186-Q188 PolarHBondContact O-N 3.34Å; A186-V189 HydrophobicContact CB-CB 4.18Å; A186-D217 HydrophobicContact CB-CB 4.33Å; A186-E219 HydrophobicContact CB-CB 3.49Å; A186-E219 VanDerWaalsContact CB-CB 3.49Å; A186-K406 PolarHBondContact O-NZ 2.8Å
187	P	78	Confident	91	Very high	43 Å²	43	28.3 Å²	28.3	28%	0.279	16%	0.164	S	C	.	.	S	Bend	trans	-58.3	-46.2	178.3	-26.9	35.4	0	0	0	114.3	E219 K316 K406	P187-E219 WeakPolarHBondContact CD-OE2 3.4Å; P187-K316 HydrophobicContact CG-CB 4Å; P187-K316 HydrophobicContact CG-CG 4.28Å; P187-K406 PolarHBondContact O-NZ 2.54Å
188	Q	81.5	Confident	91.1	Very high	171 Å²	171	27.9 Å²	27.9	80%	0.799	16%	0.161	S	C	*	.	S	Bend	trans	-111	-19.8	-171.2	-55.6	-175.2	4.3	0	0	113.7	A186 E219	A186-Q188 PolarHBondContact O-N 3.34Å; Q188-E219 WeakPolarHBondContact CB-OE2 3.33Å; Q188-E219 PolarHBondContact N-OE2 2.75Å
189	V	77.5	Confident	91.1	Very high	60 Å²	60	27.6 Å²	27.6	36%	0.364	16%	0.16	S	C	.	.			trans	-105.5	102.9	178.5	-176	0	0	0	0	108.7	A186 E219	A186-V189 HydrophobicContact CB-CB 4.18Å; V189-E219 HydrophobicContact CB-CB 4.47Å; V189-E219 HydrophobicContact CG2-CB 4.05Å; V189-E219 HydrophobicContact CG2-CG 4.15Å
190	S	80.6	Confident	91.2	Very high	59 Å²	59	27.6 Å²	27.6	41%	0.413	16%	0.16	S	C	.	.			trans	-120.5	130.2	173.9	-172.1	0	0	0	0	109.5	A192 E195	S190-A192 PolarHBondContact OG-O 2.82Å; S190-E195 WeakPolarHBondContact CB-OE2 3.49Å; S190-E195 PolarHBondContact OG-OE2 3.04Å
191	T	77.4	Confident	91.2	Very high	79 Å²	79	27.7 Å²	27.7	49%	0.485	16%	0.16	S	C	.	.	S	Bend	trans	-86.6	-16.5	179.3	54.5	0	0	0	0	112.7
192	A	86.4	Confident	91.2	Very high	12 Å²	12	27.3 Å²	27.3	10%	0.099	16%	0.158	C	C	.	.			trans	-147.9	140.2	-177.7	0	0	0	0	0	111.6	N113 S190 V194 E195	N113-A192 HydrophobicContact CB-CB 3.68Å; S190-A192 PolarHBondContact OG-O 2.82Å; A192-V194 PolarHBondContact O-N 3.46Å; A192-V194 VanDerWaalsContact O-N 3.13Å; A192-E195 WeakPolarHBondContact O-CB 3.31Å; A192-E195 PolarHBondContact O-N 3.48Å
193	V	91	Very high	91.2	Very high	99 Å²	99	27.4 Å²	27.4	60%	0.6	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.1	178.7	-63.8	0	0	0	0	113.5	M410 F416	V193-M410 WeakPolarHBondContact O-CE 3.33Å; V193-F416 HydrophobicContact CB-CE2 4.31Å; V193-F416 HydrophobicContact CB-CZ 4.4Å; V193-F416 HydrophobicContact CG2-CE1 4.18Å; V193-F416 HydrophobicContact CG2-CE2 3.9Å; V193-F416 HydrophobicContact CG2-CZ 3.7Å
194	V	95.5	Very high	91.2	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.024	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	8.9	179.2	-58	0	0	0	0	113.8	N113 A192 P196 Y197 N198 F416 W419 Y420	N113-V194 HydrophobicContact CB-CG2 4.46Å; N113-V194 WeakPolarHBondContact O-CG2 3.39Å; A192-V194 PolarHBondContact O-N 3.46Å; A192-V194 VanDerWaalsContact O-N 3.13Å; V194-P196 VanDerWaalsContact C-CD 3.4Å; V194-P196 VanDerWaalsContact C-N 3.27Å; V194-Y197 WeakPolarHBondContact O-CB 3.39Å; V194-Y197 PolarHBondContact O-N 2.93Å; V194-N198 PolarHBondContact O-N 3.49Å; V194-F416 HydrophobicContact CG1-CB 3.66Å; V194-F416 HydrophobicContact CG1-CD1 4.27Å; V194-F416 HydrophobicContact CG1-CD2 3.87Å; V194-F416 HydrophobicContact CG1-CG 3.67Å; V194-W419 HydrophobicContact CG1-CE3 4.46Å; V194-Y420 HydrophobicContact CB-CE2 4.25Å; V194-Y420 VanDerWaalsContact CB-OH 3.24Å; V194-Y420 WeakPolarHBondContact CB-OH 3.26Å; V194-Y420 HydrophobicContact CG1-CE2 4.29Å; V194-Y420 VanDerWaalsContact CG2-OH 3.3Å; V194-Y420 WeakPolarHBondContact CG2-OH 3.08Å; V194-Y420 PolarHBondContact O-OH 3.16Å
195	E	96	Very high	91.3	Very high	10 Å²	10	30.7 Å²	30.7	5%	0.047	18%	0.176	C	C	.	.	H	α-helix	trans	-48.5	-41.6	176.3	173.4	-178.6	-97.3	0	0	113.1	P185 S190 A192 Y197 N198 S199	P185-E195 HydrophobicContact CB-CG 3.94Å; P185-E195 HydrophobicContact CG-CG 3.74Å; S190-E195 WeakPolarHBondContact CB-OE2 3.49Å; S190-E195 PolarHBondContact OG-OE2 3.04Å; A192-E195 WeakPolarHBondContact O-CB 3.31Å; A192-E195 PolarHBondContact O-N 3.48Å; E195-Y197 VanDerWaalsContact C-N 3.34Å; E195-Y197 PolarHBondContact O-N 3.44Å; E195-N198 PolarHBondContact O-N 3.28Å; E195-S199 WeakPolarHBondContact O-CB 3.42Å; E195-S199 PolarHBondContact O-N 3.19Å; E195-S199 PolarHBondContact O-OG 3.4Å
196	P	96.4	Very high	91.6	Very high	8 Å²	8	30.1 Å²	30.1	5%	0.052	17%	0.172	C	C	.	.	H	α-helix	trans	-58.4	-41.9	177	-27	37	0	0	0	114.2	V194 I200 L403 K406 F407 M410	V194-P196 VanDerWaalsContact C-CD 3.4Å; V194-P196 VanDerWaalsContact C-N 3.27Å; P196-I200 WeakPolarHBondContact O-CG1 3.36Å; P196-I200 PolarHBondContact O-N 2.81Å; P196-I200 VanDerWaalsContact O-N 3.1Å; P196-L403 HydrophobicContact CB-CD1 4.08Å; P196-K406 HydrophobicContact CB-CB 4.11Å; P196-K406 HydrophobicContact CG-CB 3.78Å; P196-K406 HydrophobicContact CG-CD 4.34Å; P196-F407 HydrophobicContact CB-CB 4.42Å; P196-M410 HydrophobicContact CB-SD 4.19Å; P196-M410 HydrophobicContact CG-SD 3.83Å
197	Y	97.9	Very high	92.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.3	-47.9	177.3	-72.9	-8.2	0	0	0	111.7	V194 E195 S199 I200 L201 F407 M410 Y411 A415 V417 Y420 F430	V194-Y197 WeakPolarHBondContact O-CB 3.39Å; V194-Y197 PolarHBondContact O-N 2.93Å; E195-Y197 VanDerWaalsContact C-N 3.34Å; E195-Y197 PolarHBondContact O-N 3.44Å; Y197-S199 VanDerWaalsContact C-N 3.27Å; Y197-S199 PolarHBondContact O-N 2.98Å; Y197-I200 PolarHBondContact O-N 2.97Å; Y197-L201 WeakPolarHBondContact O-CB 3.39Å; Y197-L201 WeakPolarHBondContact O-CD1 3.17Å; Y197-L201 VanDerWaalsContact O-CG 3.23Å; Y197-L201 WeakPolarHBondContact O-CG 3.27Å; Y197-L201 PolarHBondContact O-N 2.97Å; Y197-F407 AromaticContact CD1-CD2 3.34Å; Y197-F407 HydrophobicContact CD1-CD2 3.34Å; Y197-F407 AromaticContact CD1-CE2 3.45Å; Y197-F407 HydrophobicContact CD1-CE2 3.45Å; Y197-F407 VanDerWaalsContact CD1-CE2 3.45Å; Y197-F407 HydrophobicContact CD1-CG 4.24Å; Y197-F407 HydrophobicContact CD1-CZ 4.42Å; Y197-F407 AromaticContact CE1-CD2 3.64Å; Y197-F407 HydrophobicContact CE1-CD2 3.64Å; Y197-F407 AromaticContact CE1-CE2 3.67Å; Y197-F407 HydrophobicContact CE1-CE2 3.67Å; Y197-F407 HydrophobicContact CE1-CG 4.19Å; Y197-F407 HydrophobicContact CE1-CZ 4.24Å; Y197-F407 HydrophobicContact CG-CE2 4.5Å; Y197-M410 HydrophobicContact CD2-CE 4.44Å; Y197-M410 HydrophobicContact CE1-CB 3.96Å; Y197-M410 HydrophobicContact CE2-CE 4.24Å; Y197-M410 VanDerWaalsContact OH-C 3.24Å; Y197-M410 PolarHBondContact OH-O 3.45Å; Y197-Y411 WeakPolarHBondContact OH-CA 3.31Å; Y197-Y411 PolarHBondContact OH-N 3.28Å; Y197-Y411 VanDerWaalsContact OH-N 3.08Å; Y197-A415 WeakPolarHBondContact CE2-O 3.25Å; Y197-A415 PolarHBondContact OH-O 2.84Å; Y197-V417 HydrophobicContact CE2-CG2 4.11Å; Y197-Y420 WeakPolarHBondContact CB-OH 3.43Å; Y197-Y420 HydrophobicContact CD2-CD2 4.29Å; Y197-Y420 AromaticContact CD2-CE2 3.75Å; Y197-Y420 HydrophobicContact CD2-CE2 3.75Å; Y197-F430 HydrophobicContact CD1-CD1 4.37Å; Y197-F430 HydrophobicContact CD1-CE1 4.01Å; Y197-F430 AromaticContact CD2-CE1 3.63Å; Y197-F430 HydrophobicContact CD2-CE1 3.63Å; Y197-F430 AromaticContact CD2-CZ 3.97Å; Y197-F430 HydrophobicContact CD2-CZ 3.97Å; Y197-F430 HydrophobicContact CE1-CE1 4.4Å; Y197-F430 HydrophobicContact CE2-CE1 4.06Å; Y197-F430 HydrophobicContact CE2-CZ 4.22Å; Y197-F430 HydrophobicContact CG-CD1 4.37Å; Y197-F430 AromaticContact CG-CE1 3.59Å; Y197-F430 HydrophobicContact CG-CE1 3.59Å; Y197-F430 HydrophobicContact CG-CZ 4.37Å
198	N	98	Very high	92.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.9	-43.6	179	-70.4	-11.3	0	0	0	111.8	N113 Y115 F153 G154 S159 V194 E195 T202 Y420	N113-N198 PolarHBondContact O-ND2 3.01Å; Y115-N198 WeakPolarHBondContact CB-OD1 3.41Å; Y115-N198 PolarHBondContact N-OD1 2.68Å; F153-N198 CarbonylContact O-C 3.55Å; F153-N198 VanDerWaalsContact O-C 3.22Å; F153-N198 WeakPolarHBondContact O-CB 3.41Å; G154-N198 PolarHBondContact O-ND2 3.05Å; S159-N198 WeakPolarHBondContact OG-CB 3.3Å; V194-N198 PolarHBondContact O-N 3.49Å; E195-N198 PolarHBondContact O-N 3.28Å; N198-T202 VanDerWaalsContact O-CB 3.29Å; N198-T202 WeakPolarHBondContact O-CB 3.48Å; N198-T202 PolarHBondContact O-N 2.98Å; N198-T202 PolarHBondContact O-OG1 3.42Å; N198-Y420 PolarHBondContact OD1-OH 3.33Å
199	S	97.3	Very high	93.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-72.4	-40.8	-175.2	-60.8	0	0	0	0	112.4	F153 P185 E195 Y197 T203	F153-S199 WeakPolarHBondContact CB-OG 3.38Å; F153-S199 VanDerWaalsContact O-CA 3.23Å; F153-S199 WeakPolarHBondContact O-CA 3.37Å; F153-S199 PolarHBondContact O-N 2.88Å; F153-S199 VanDerWaalsContact O-N 3.11Å; F153-S199 PolarHBondContact O-OG 2.76Å; P185-S199 WeakPolarHBondContact CG-OG 3.47Å; E195-S199 WeakPolarHBondContact O-CB 3.42Å; E195-S199 PolarHBondContact O-N 3.19Å; E195-S199 PolarHBondContact O-OG 3.4Å; Y197-S199 VanDerWaalsContact C-N 3.27Å; Y197-S199 PolarHBondContact O-N 2.98Å; S199-T203 WeakPolarHBondContact O-CB 3.41Å; S199-T203 PolarHBondContact O-N 3.19Å; S199-T203 PolarHBondContact O-OG1 2.72Å
200	I	97.7	Very high	94.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.6	-47.4	175.5	-67.8	-158.6	0	0	0	110.9	P196 Y197 T202 T203 H204 L403 D404 F407 A433 L437	P196-I200 WeakPolarHBondContact O-CG1 3.36Å; P196-I200 PolarHBondContact O-N 2.81Å; P196-I200 VanDerWaalsContact O-N 3.1Å; Y197-I200 PolarHBondContact O-N 2.97Å; I200-T202 VanDerWaalsContact C-N 3.35Å; I200-T202 PolarHBondContact O-N 3.33Å; I200-T203 PolarHBondContact O-N 3.4Å; I200-H204 WeakPolarHBondContact O-CB 3.31Å; I200-H204 PolarHBondContact O-N 3.36Å; I200-L403 HydrophobicContact CD1-CD2 4.45Å; I200-L403 HydrophobicContact CD1-CG 4.29Å; I200-L403 HydrophobicContact CG1-CD2 3.53Å; I200-L403 HydrophobicContact CG1-CG 3.8Å; I200-D404 VanDerWaalsContact CD1-OD1 3.32Å; I200-D404 WeakPolarHBondContact CD1-OD1 3.32Å; I200-F407 HydrophobicContact CB-CD2 4.18Å; I200-F407 HydrophobicContact CB-CE2 4.46Å; I200-F407 HydrophobicContact CD1-CB 3.46Å; I200-F407 VanDerWaalsContact CD1-CB 3.46Å; I200-F407 HydrophobicContact CD1-CD1 4.32Å; I200-F407 HydrophobicContact CD1-CD2 3.51Å; I200-F407 HydrophobicContact CD1-CE2 4.32Å; I200-F407 HydrophobicContact CD1-CG 3.53Å; I200-F407 HydrophobicContact CG1-CB 4.46Å; I200-F407 HydrophobicContact CG1-CD2 4.08Å; I200-F407 HydrophobicContact CG2-CD2 4.44Å; I200-F407 HydrophobicContact CG2-CE2 4.37Å; I200-A433 HydrophobicContact CG2-CB 3.73Å; I200-A433 WeakPolarHBondContact CG2-O 3.38Å; I200-L437 HydrophobicContact CB-CD2 4.49Å; I200-L437 HydrophobicContact CD1-CD2 3.81Å; I200-L437 HydrophobicContact CG1-CD2 3.65Å
201	L	98.5	Very high	95.2	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-61.6	-43.1	178.7	-68.9	164.9	0	0	0	111.5	Y115 Y197 H204 T205 Y420 M425 F430 A433	Y115-L201 HydrophobicContact CD1-CB 3.94Å; Y115-L201 HydrophobicContact CD1-CD1 3.73Å; Y115-L201 HydrophobicContact CD1-CG 4.39Å; Y115-L201 HydrophobicContact CD2-CB 3.85Å; Y115-L201 HydrophobicContact CE1-CB 3.93Å; Y115-L201 HydrophobicContact CE1-CD1 4.32Å; Y115-L201 HydrophobicContact CE2-CB 3.85Å; Y115-L201 HydrophobicContact CG-CB 3.94Å; Y115-L201 HydrophobicContact CG-CD1 3.99Å; Y197-L201 WeakPolarHBondContact O-CB 3.39Å; Y197-L201 WeakPolarHBondContact O-CD1 3.17Å; Y197-L201 VanDerWaalsContact O-CG 3.23Å; Y197-L201 WeakPolarHBondContact O-CG 3.27Å; Y197-L201 PolarHBondContact O-N 2.97Å; L201-H204 PolarHBondContact O-N 3.05Å; L201-T205 PolarHBondContact O-N 3.07Å; L201-T205 PolarHBondContact O-OG1 3.47Å; L201-Y420 HydrophobicContact CD1-CD1 3.83Å; L201-Y420 HydrophobicContact CD1-CE1 3.76Å; L201-M425 HydrophobicContact CD1-CE 3.97Å; L201-M425 HydrophobicContact CD1-SD 3.85Å; L201-M425 HydrophobicContact CD2-CE 4.09Å; L201-M425 HydrophobicContact CD2-SD 4.2Å; L201-F430 HydrophobicContact CD1-CD1 4.34Å; L201-F430 HydrophobicContact CD1-CE1 3.96Å; L201-F430 HydrophobicContact CD2-CD1 4.5Å; L201-A433 HydrophobicContact CD2-CB 3.97Å
202	T	98.2	Very high	96.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.3	-46.7	176.7	-73.7	0	0	0	0	112.4	Y115 F153 S159 S163 N198 I200 H204 T205 T206	Y115-T202 WeakPolarHBondContact CD2-OG1 3.3Å; Y115-T202 VanDerWaalsContact CE2-OG1 3.3Å; Y115-T202 WeakPolarHBondContact CE2-OG1 3.23Å; F153-T202 HydrophobicContact CD1-CG2 4.05Å; F153-T202 HydrophobicContact CD2-CG2 4.44Å; F153-T202 HydrophobicContact CE1-CG2 4.17Å; F153-T202 HydrophobicContact CG-CG2 4.19Å; F153-T202 HydrophobicContact CZ-CG2 4.4Å; S159-T202 WeakPolarHBondContact CA-OG1 3.33Å; S159-T202 WeakPolarHBondContact CB-OG1 3.49Å; S159-T202 PolarHBondContact O-OG1 2.94Å; S159-T202 VanDerWaalsContact O-OG1 3.13Å; S163-T202 PolarHBondContact OG-OG1 3.4Å; N198-T202 VanDerWaalsContact O-CB 3.29Å; N198-T202 WeakPolarHBondContact O-CB 3.48Å; N198-T202 PolarHBondContact O-N 2.98Å; N198-T202 PolarHBondContact O-OG1 3.42Å; I200-T202 VanDerWaalsContact C-N 3.35Å; I200-T202 PolarHBondContact O-N 3.33Å; T202-H204 VanDerWaalsContact C-N 3.28Å; T202-H204 PolarHBondContact O-N 3.09Å; T202-T205 PolarHBondContact O-N 3.42Å; T202-T206 HydrophobicContact CG2-CG2 4.15Å; T202-T206 WeakPolarHBondContact O-CG2 3.47Å; T202-T206 PolarHBondContact O-N 3.15Å; T202-T206 PolarHBondContact O-OG1 2.98Å
203	T	97.5	Very high	96.6	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-54.6	-48.8	175.8	-57	0	0	0	0	110.4	F153 S199 I200 L207 F279 L437 L440	F153-T203 VanDerWaalsContact CE1-OG1 3.27Å; F153-T203 WeakPolarHBondContact CE1-OG1 3.42Å; S199-T203 WeakPolarHBondContact O-CB 3.41Å; S199-T203 PolarHBondContact O-N 3.19Å; S199-T203 PolarHBondContact O-OG1 2.72Å; I200-T203 PolarHBondContact O-N 3.4Å; T203-L207 WeakPolarHBondContact O-CB 3.4Å; T203-L207 PolarHBondContact O-N 2.89Å; T203-F279 HydrophobicContact CG2-CZ 4.05Å; T203-L437 HydrophobicContact CG2-CD1 4.02Å; T203-L440 HydrophobicContact CG2-CD2 4.24Å
204	H	97.6	Very high	96.9	Very high	57 Å²	57	17.5 Å²	17.5	26%	0.264	9%	0.087	S	C	.	.	H	α-helix	trans	-58.1	-53.1	-179.9	173.9	58.8	0	0	0	112.2	I200 L201 T202 T206 L207 A433 D436	I200-H204 WeakPolarHBondContact O-CB 3.31Å; I200-H204 PolarHBondContact O-N 3.36Å; L201-H204 PolarHBondContact O-N 3.05Å; T202-H204 VanDerWaalsContact C-N 3.28Å; T202-H204 PolarHBondContact O-N 3.09Å; H204-T206 PolarHBondContact O-N 3.24Å; H204-L207 PolarHBondContact O-N 3.47Å; H204-A433 HydrophobicContact CB-CB 3.5Å; H204-D436 IonicContact CE1-OD2 2.82Å; H204-D436 IonicContact CG-OD2 2.75Å; H204-D436 WeakPolarHBondContact ND1-CB 3.4Å; H204-D436 IonicContact ND1-OD2 3.81Å; H204-D436 PolarHBondContact ND1-OD2 2.77Å
205	T	97.4	Very high	97	Very high	23 Å²	23	17.3 Å²	17.3	14%	0.141	9%	0.085	C	C	.	.	H	α-helix	trans	-71.7	-32.4	-175.5	-56.8	0	0	0	0	113.2	Y115 E167 L201 T202 H209	Y115-T205 WeakPolarHBondContact OH-CB 3.37Å; Y115-T205 PolarHBondContact OH-OG1 3.4Å; E167-T205 HydrophobicContact CG-CG2 4.2Å; E167-T205 WeakPolarHBondContact OE1-CG2 3.14Å; L201-T205 PolarHBondContact O-N 3.07Å; L201-T205 PolarHBondContact O-OG1 3.47Å; T202-T205 PolarHBondContact O-N 3.42Å; T205-H209 PolarHBondContact O-CD2 2.92Å; T205-H209 VanDerWaalsContact O-CD2 3.24Å
206	T	97.5	Very high	97	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-85.7	-11.4	179.4	64.8	0	0	0	0	113.7	M166 T202 H204 E208 H209 S210	M166-T206 HydrophobicContact CB-CG2 4.34Å; M166-T206 HydrophobicContact CG-CG2 4.23Å; T202-T206 HydrophobicContact CG2-CG2 4.15Å; T202-T206 WeakPolarHBondContact O-CG2 3.47Å; T202-T206 PolarHBondContact O-N 3.15Å; T202-T206 PolarHBondContact O-OG1 2.98Å; H204-T206 PolarHBondContact O-N 3.24Å; T206-E208 VanDerWaalsContact C-N 3.27Å; T206-E208 PolarHBondContact O-N 2.9Å; T206-E208 VanDerWaalsContact O-N 3.17Å; T206-H209 CarbonylContact O-C 3.6Å; T206-H209 WeakPolarHBondContact O-CA 3.24Å; T206-H209 PolarHBondContact O-N 2.8Å; T206-S210 PolarHBondContact O-N 2.82Å
207	L	96.1	Very high	96.9	Very high	9 Å²	9	16.8 Å²	16.8	5%	0.047	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-37.7	-173	-161	69.7	0	0	0	113.7	T203 H204 R276 H278 F279 L440	T203-L207 WeakPolarHBondContact O-CB 3.4Å; T203-L207 PolarHBondContact O-N 2.89Å; H204-L207 PolarHBondContact O-N 3.47Å; L207-R276 HydrophobicContact CD2-CG 4.22Å; L207-R276 VanDerWaalsContact CD2-CZ 3.45Å; L207-H278 PolarHBondContact O-CE1 3.36Å; L207-H278 VanDerWaalsContact O-CE1 3.3Å; L207-F279 HydrophobicContact CD1-CE2 3.77Å; L207-F279 HydrophobicContact CD1-CZ 3.77Å; L207-L440 HydrophobicContact CD1-CD2 4.18Å
208	E	94.8	Very high	96.7	Very high	171 Å²	171	18 Å²	18	80%	0.799	9%	0.089	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-2.6	179.1	-59.9	-169.3	161.8	0	0	113.4	T206	T206-E208 VanDerWaalsContact C-N 3.27Å; T206-E208 PolarHBondContact O-N 2.9Å; T206-E208 VanDerWaalsContact O-N 3.17Å
209	H	96.7	Very high	96.6	Very high	38 Å²	38	18.9 Å²	18.9	18%	0.176	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-14.8	-172.6	-60.1	-28.8	0	0	0	113	M166 E167 S170 K178 T205 T206	M166-H209 HydrophobicContact CB-CB 4.02Å; M166-H209 HydrophobicContact CE-CB 4.22Å; M166-H209 VanDerWaalsContact CE-O 3.3Å; M166-H209 WeakPolarHBondContact CE-O 3.23Å; E167-H209 WeakPolarHBondContact CG-NE2 3.47Å; S170-H209 WeakPolarHBondContact OG-CB 3.42Å; S170-H209 PolarHBondContact OG-ND1 3.37Å; K178-H209 WeakPolarHBondContact CD-O 3.24Å; K178-H209 WeakPolarHBondContact CE-O 3.42Å; T205-H209 PolarHBondContact O-CD2 2.92Å; T205-H209 VanDerWaalsContact O-CD2 3.24Å; T206-H209 CarbonylContact O-C 3.6Å; T206-H209 WeakPolarHBondContact O-CA 3.24Å; T206-H209 PolarHBondContact O-N 2.8Å
210	S	96.3	Very high	96.5	Very high	10 Å²	10	19.1 Å²	19.1	7%	0.07	10%	0.095	C	C	.	.			trans	-94.1	134.6	176.3	-165.1	0	0	0	0	111.1	E180 T206	E180-S210 WeakPolarHBondContact OE1-CB 3.39Å; E180-S210 PolarHBondContact OE1-OG 3.3Å; T206-S210 PolarHBondContact O-N 2.82Å
211	D	95.9	Very high	96.4	Very high	32 Å²	32	19.1 Å²	19.1	17%	0.171	10%	0.095	C	C	.	.	S	Bend	trans	-87.4	-27.9	171.6	-66	-69	0	0	0	111.4	S177 K178 L179 Q268	S177-D211 WeakPolarHBondContact CA-OD2 3.36Å; K178-D211 PolarHBondContact N-OD2 3.43Å; K178-D211 PolarHBondContact O-N 2.98Å; L179-D211 HydrophobicContact CD2-CB 4.23Å; D211-Q268 HydrophobicContact CB-CG 4.36Å; D211-Q268 PolarHBondContact OD1-NE2 3.24Å
212	C	95.8	Very high	96.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	131.4	178.6	-169.8	0	0	0	0	110.1	L179 E180 F214 V272 P280	L179-C212 CarbonylContact C-O 3.5Å; L179-C212 VanDerWaalsContact CA-O 3.3Å; L179-C212 WeakPolarHBondContact CA-O 3.5Å; L179-C212 HydrophobicContact CD2-CB 3.71Å; E180-C212 PolarHBondContact N-O 2.81Å; C212-F214 VanDerWaalsContact SG-CE1 3.51Å; C212-V272 HydrophobicContact CB-CG2 4.45Å; C212-P280 VanDerWaalsContact SG-CD 3.57Å; C212-P280 VanDerWaalsContact SG-CG 3.58Å
213	A	97.4	Very high	96.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	108.9	176.1	0	0	0	0	0	110.6	E180 M215 H278 F279 P280	E180-A213 HydrophobicContact CB-CB 4.01Å; A213-M215 HydrophobicContact CB-SD 3.92Å; A213-M215 WeakPolarHBondContact O-CG 3.44Å; A213-M215 PolarHBondContact O-N 2.88Å; A213-H278 PolarHBondContact N-O 2.77Å; A213-F279 HydrophobicContact CB-CD1 3.74Å; A213-F279 HydrophobicContact CB-CE1 3.99Å; A213-F279 WeakPolarHBondContact O-CA 3.41Å; A213-P280 WeakPolarHBondContact O-CD 3.22Å
214	F	97.5	Very high	96.2	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	107.4	175.9	-56.9	-58.4	0	0	0	109.6	L179 E180 F181 A182 C212 I250 F267 L271 P280 V282 L390	L179-F214 HydrophobicContact CB-CE2 4.11Å; L179-F214 HydrophobicContact CD1-CE2 4.07Å; L179-F214 HydrophobicContact CD1-CZ 4.36Å; E180-F214 WeakPolarHBondContact O-CB 3.24Å; E180-F214 WeakPolarHBondContact O-CD2 3.34Å; E180-F214 PolarHBondContact O-N 2.9Å; F181-F214 HydrophobicContact CD1-CB 4.23Å; F181-F214 HydrophobicContact CD1-CD2 4.14Å; F181-F214 HydrophobicContact CE1-CB 4.49Å; F181-F214 AromaticContact CE1-CD2 3.82Å; F181-F214 HydrophobicContact CE1-CD2 3.82Å; F181-F214 HydrophobicContact CE1-CG 4.48Å; F181-F214 HydrophobicContact CE2-CD2 4.3Å; F181-F214 AromaticContact CZ-CD2 3.91Å; F181-F214 HydrophobicContact CZ-CD2 3.91Å; F181-F214 HydrophobicContact CZ-CE2 4.25Å; A182-F214 PolarHBondContact N-O 3Å; A182-F214 VanDerWaalsContact N-O 3.08Å; C212-F214 VanDerWaalsContact SG-CE1 3.51Å; F214-I250 HydrophobicContact CD1-CD1 4.18Å; F214-I250 HydrophobicContact CD2-CD1 3.76Å; F214-I250 HydrophobicContact CE1-CD1 4.25Å; F214-I250 HydrophobicContact CE2-CD1 3.82Å; F214-I250 HydrophobicContact CE2-CG2 4.09Å; F214-I250 HydrophobicContact CG-CD1 3.93Å; F214-I250 HydrophobicContact CZ-CD1 4.07Å; F214-I250 HydrophobicContact CZ-CG2 4.34Å; F214-F267 HydrophobicContact CZ-CB 4.23Å; F214-F267 HydrophobicContact CZ-CD1 4.29Å; F214-F267 HydrophobicContact CZ-CG 4.11Å; F214-L271 HydrophobicContact CE1-CD1 4.07Å; F214-P280 HydrophobicContact CD1-CB 4.32Å; F214-P280 HydrophobicContact CD1-CG 4.49Å; F214-V282 HydrophobicContact CB-CG2 3.96Å; F214-L390 HydrophobicContact CD1-CD1 4.32Å; F214-L390 HydrophobicContact CD1-CD2 4Å; F214-L390 HydrophobicContact CE1-CD1 3.69Å; F214-L390 HydrophobicContact CE1-CD2 4.23Å; F214-L390 HydrophobicContact CE1-CG 4.4Å; F214-L390 HydrophobicContact CZ-CD1 4.16Å
215	M	96.4	Very high	96.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.4	-171.7	-53.6	-55	-81.3	0	0	111.2	F153 A182 Y184 A213 F279 P280 V315 W400	F153-M215 HydrophobicContact CE2-CE 4.45Å; F153-M215 HydrophobicContact CZ-CE 4.3Å; A182-M215 HydrophobicContact CB-SD 3.99Å; Y184-M215 HydrophobicContact CD1-CE 4.5Å; Y184-M215 HydrophobicContact CD2-CE 3.11Å; Y184-M215 HydrophobicContact CE2-CE 3.82Å; Y184-M215 HydrophobicContact CG-CE 3.54Å; A213-M215 HydrophobicContact CB-SD 3.92Å; A213-M215 WeakPolarHBondContact O-CG 3.44Å; A213-M215 PolarHBondContact O-N 2.88Å; M215-F279 HydrophobicContact CE-CD1 4.15Å; M215-F279 HydrophobicContact CG-CB 3.94Å; M215-F279 HydrophobicContact CG-CD1 4.26Å; M215-F279 HydrophobicContact SD-CD1 3.74Å; M215-P280 PolarHBondContact N-O 2.68Å; M215-V315 HydrophobicContact CB-CG2 3.84Å; M215-V315 VanDerWaalsContact O-CG2 3.29Å; M215-V315 WeakPolarHBondContact O-CG2 3.42Å; M215-W400 HydrophobicContact CE-CH2 3.98Å; M215-W400 HydrophobicContact CE-CZ3 4.48Å
216	V	96.3	Very high	96	Very high	7 Å²	7	28 Å²	28	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	155.4	168.7	-66.9	0	0	0	0	109.8	A182 I183 Y184 I221 I243 I246 V282 M314	A182-V216 WeakPolarHBondContact O-CG2 3.39Å; A182-V216 PolarHBondContact O-N 3.41Å; I183-V216 CarbonylContact C-O 3.42Å; I183-V216 WeakPolarHBondContact CA-O 3.33Å; I183-V216 HydrophobicContact CD1-CG2 3.4Å; Y184-V216 PolarHBondContact N-O 3.23Å; V216-I221 HydrophobicContact CB-CD1 3.89Å; V216-I221 HydrophobicContact CG1-CD1 4.37Å; V216-I221 HydrophobicContact CG2-CD1 4.38Å; V216-I243 HydrophobicContact CG2-CD1 4.26Å; V216-I246 HydrophobicContact CG1-CD1 4.22Å; V216-V282 HydrophobicContact CG1-CB 4.19Å; V216-V282 HydrophobicContact CG1-CG2 4.31Å; V216-M314 CarbonylContact C-O 2.94Å; V216-M314 WeakPolarHBondContact CA-O 3.05Å; V216-M314 HydrophobicContact CB-CB 4.36Å; V216-M314 HydrophobicContact CG1-CB 3.91Å; V216-M314 HydrophobicContact CG1-SD 4.42Å
217	D	94.7	Very high	95.9	Very high	1 Å²	1	33 Å²	33	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150.6	171.5	85.5	63.4	0	0	0	112	Y184 A186 E219 A220 I221 M314 V315 K316	Y184-D217 WeakPolarHBondContact O-CB 3.4Å; A186-D217 HydrophobicContact CB-CB 4.33Å; D217-E219 VanDerWaalsContact C-N 3.33Å; D217-E219 PolarHBondContact O-N 3.49Å; D217-E219 WeakPolarHBondContact OD1-CA 3.33Å; D217-E219 WeakPolarHBondContact OD1-CB 3.38Å; D217-E219 PolarHBondContact OD1-N 3.16Å; D217-A220 WeakPolarHBondContact OD1-CB 3.28Å; D217-A220 PolarHBondContact OD1-N 3.28Å; D217-I221 VanDerWaalsContact O-CG1 3.27Å; D217-I221 WeakPolarHBondContact O-CG1 3.2Å; D217-I221 PolarHBondContact O-N 2.85Å; D217-M314 PolarHBondContact N-O 2.79Å; D217-V315 VanDerWaalsContact OD2-C 3.26Å; D217-V315 WeakPolarHBondContact OD2-CA 3.38Å; D217-K316 WeakPolarHBondContact OD2-CG 3.44Å; D217-K316 PolarHBondContact OD2-N 3.24Å
218	N	93.6	Very high	95.8	Very high	25 Å²	25	33.9 Å²	33.9	13%	0.134	15%	0.152	C	C	.	.	H	α-helix	trans	-67.4	-31.5	-174.7	-72.1	-40.4	0	0	0	113.1	I183 Y222 L239	I183-N218 WeakPolarHBondContact CG2-ND2 3.34Å; N218-Y222 WeakPolarHBondContact O-CB 3.39Å; N218-Y222 PolarHBondContact O-N 3.17Å; N218-L239 HydrophobicContact CB-CD2 4.01Å
219	E	94.7	Very high	95.8	Very high	19 Å²	19	26.4 Å²	26.4	9%	0.089	12%	0.118	C	C	.	.	H	α-helix	trans	-73.3	-43.6	-176.3	-172.2	-173.9	139.2	0	0	111.3	A186 P187 Q188 V189 D217 Y222 D223 K316	A186-E219 HydrophobicContact CB-CB 3.49Å; A186-E219 VanDerWaalsContact CB-CB 3.49Å; P187-E219 WeakPolarHBondContact CD-OE2 3.4Å; Q188-E219 WeakPolarHBondContact CB-OE2 3.33Å; Q188-E219 PolarHBondContact N-OE2 2.75Å; V189-E219 HydrophobicContact CB-CB 4.47Å; V189-E219 HydrophobicContact CG2-CB 4.05Å; V189-E219 HydrophobicContact CG2-CG 4.15Å; D217-E219 VanDerWaalsContact C-N 3.33Å; D217-E219 PolarHBondContact O-N 3.49Å; D217-E219 WeakPolarHBondContact OD1-CA 3.33Å; D217-E219 WeakPolarHBondContact OD1-CB 3.38Å; D217-E219 PolarHBondContact OD1-N 3.16Å; E219-Y222 PolarHBondContact O-N 2.77Å; E219-D223 PolarHBondContact O-N 2.97Å; E219-K316 HydrophobicContact CB-CG 4.38Å; E219-K316 VanDerWaalsContact OE1-CE 3.3Å; E219-K316 WeakPolarHBondContact OE1-CE 3.47Å
220	A	95.9	Very high	95.5	Very high	4 Å²	4	28.9 Å²	28.9	3%	0.033	13%	0.132	C	C	.	.	H	α-helix	trans	-62.2	-48	175	0	0	0	0	0	111.1	D217 Y222 D223 I224 M314 K316	D217-A220 WeakPolarHBondContact OD1-CB 3.28Å; D217-A220 PolarHBondContact OD1-N 3.28Å; A220-Y222 VanDerWaalsContact C-N 3.34Å; A220-Y222 PolarHBondContact O-N 2.84Å; A220-D223 PolarHBondContact O-N 2.78Å; A220-I224 VanDerWaalsContact O-CG1 3.31Å; A220-I224 WeakPolarHBondContact O-CG1 3.07Å; A220-I224 PolarHBondContact O-N 2.79Å; A220-M314 VanDerWaalsContact CB-C 3.5Å; A220-K316 HydrophobicContact CB-CD 4.21Å; A220-K316 HydrophobicContact CB-CG 4.21Å
221	I	96.4	Very high	95.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.1	-40.1	177.7	-60.2	173.5	0	0	0	110.7	V216 D217 D223 I224 C225 L239 L242 I243 M314	V216-I221 HydrophobicContact CB-CD1 3.89Å; V216-I221 HydrophobicContact CG1-CD1 4.37Å; V216-I221 HydrophobicContact CG2-CD1 4.38Å; D217-I221 VanDerWaalsContact O-CG1 3.27Å; D217-I221 WeakPolarHBondContact O-CG1 3.2Å; D217-I221 PolarHBondContact O-N 2.85Å; I221-D223 VanDerWaalsContact C-N 3.35Å; I221-D223 PolarHBondContact O-N 2.76Å; I221-I224 PolarHBondContact O-N 2.82Å; I221-C225 PolarHBondContact O-N 3.09Å; I221-C225 PolarHBondContact O-SG 3.41Å; I221-C225 VanDerWaalsContact O-SG 3.37Å; I221-L239 HydrophobicContact CB-CG 4.06Å; I221-L239 HydrophobicContact CG2-CB 3.88Å; I221-L239 HydrophobicContact CG2-CD1 4.44Å; I221-L239 HydrophobicContact CG2-CG 3.6Å; I221-L242 HydrophobicContact CG2-CB 4.4Å; I221-L242 HydrophobicContact CG2-CD2 4Å; I221-I243 HydrophobicContact CD1-CD1 3.84Å; I221-I243 HydrophobicContact CD1-CG1 3.7Å; I221-M314 HydrophobicContact CD1-SD 4.19Å; I221-M314 HydrophobicContact CG1-CB 4.04Å; I221-M314 HydrophobicContact CG1-CG 4.24Å; I221-M314 HydrophobicContact CG1-SD 3.96Å
222	Y	95.5	Very high	95.2	Very high	76 Å²	76	35.1 Å²	35.1	30%	0.298	16%	0.16	S	C	.	.	H	α-helix	trans	-57.3	-47	174.5	-175.8	-81.2	0	0	0	111.7	N218 E219 A220 I224 C225 R226 P234	N218-Y222 WeakPolarHBondContact O-CB 3.39Å; N218-Y222 PolarHBondContact O-N 3.17Å; E219-Y222 PolarHBondContact O-N 2.77Å; A220-Y222 VanDerWaalsContact C-N 3.34Å; A220-Y222 PolarHBondContact O-N 2.84Å; Y222-I224 PolarHBondContact O-N 2.94Å; Y222-C225 PolarHBondContact O-N 2.69Å; Y222-R226 WeakPolarHBondContact O-CB 3.44Å; Y222-R226 PolarHBondContact O-N 3.17Å; Y222-P234 HydrophobicContact CD1-CG 4.48Å; Y222-P234 HydrophobicContact CD2-CB 3.77Å; Y222-P234 HydrophobicContact CD2-CG 4.05Å; Y222-P234 HydrophobicContact CE1-CG 4.46Å; Y222-P234 HydrophobicContact CE2-CB 3.95Å; Y222-P234 HydrophobicContact CE2-CG 4.06Å; Y222-P234 VanDerWaalsContact CE2-O 3.3Å; Y222-P234 WeakPolarHBondContact CE2-O 3.36Å; Y222-P234 HydrophobicContact CG-CB 4.34Å; Y222-P234 HydrophobicContact CG-CG 4.27Å
223	D	96.2	Very high	95.1	Very high	58 Å²	58	44.2 Å²	44.2	31%	0.31	19%	0.194	S	C	.	.	H	α-helix	trans	-65.3	-38.4	178.3	-77.7	-16.3	0	0	0	112.7	E219 A220 I221 R226 R227 K316	E219-D223 PolarHBondContact O-N 2.97Å; A220-D223 PolarHBondContact O-N 2.78Å; I221-D223 VanDerWaalsContact C-N 3.35Å; I221-D223 PolarHBondContact O-N 2.76Å; D223-R226 PolarHBondContact O-N 2.99Å; D223-R227 WeakPolarHBondContact O-CB 3.37Å; D223-R227 PolarHBondContact O-N 3.49Å; D223-K316 IonicContact OD2-NZ 3.56Å; D223-K316 PolarHBondContact OD2-NZ 2.9Å
224	I	96.9	Very high	95	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-60.9	-50.3	173.3	-70.4	165.4	0	0	0	110.2	A220 I221 Y222 R226 R227 N228 L242 V287 A311 N312 M314	A220-I224 VanDerWaalsContact O-CG1 3.31Å; A220-I224 WeakPolarHBondContact O-CG1 3.07Å; A220-I224 PolarHBondContact O-N 2.79Å; I221-I224 PolarHBondContact O-N 2.82Å; Y222-I224 PolarHBondContact O-N 2.94Å; I224-R226 VanDerWaalsContact C-N 3.33Å; I224-R226 PolarHBondContact O-N 3.19Å; I224-R227 PolarHBondContact O-N 3.15Å; I224-N228 VanDerWaalsContact O-CB 3.26Å; I224-N228 WeakPolarHBondContact O-CB 3.45Å; I224-N228 PolarHBondContact O-N 2.86Å; I224-L242 HydrophobicContact CG2-CD2 3.85Å; I224-V287 HydrophobicContact CG2-CB 4.16Å; I224-V287 HydrophobicContact CG2-CG1 3.84Å; I224-V287 HydrophobicContact CG2-CG2 4.12Å; I224-A311 WeakPolarHBondContact CG1-O 3.41Å; I224-N312 WeakPolarHBondContact CD1-O 3.38Å; I224-M314 HydrophobicContact CD1-CG 4Å
225	C	96	Very high	94.9	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.3	-44.9	177.9	-71.7	0	0	0	0	111.4	I221 Y222 L229 P234	I221-C225 PolarHBondContact O-N 3.09Å; I221-C225 PolarHBondContact O-SG 3.41Å; I221-C225 VanDerWaalsContact O-SG 3.37Å; Y222-C225 PolarHBondContact O-N 2.69Å; C225-L229 HydrophobicContact CB-CD1 4.31Å; C225-L229 WeakPolarHBondContact O-CA 3.41Å; C225-L229 WeakPolarHBondContact O-CB 3.3Å; C225-L229 PolarHBondContact O-N 3.05Å; C225-P234 HydrophobicContact CB-CB 3.83Å; C225-P234 HydrophobicContact CB-CG 3.65Å
226	R	95.7	Very high	94.8	Very high	136 Å²	136	52.8 Å²	52.8	51%	0.513	24%	0.236	S	C	.	.	H	α-helix	trans	-63.9	-44.3	-179.1	-176	176.8	-179.9	-173	2.5	112.7	Y222 D223 I224 I231 P234	Y222-R226 WeakPolarHBondContact O-CB 3.44Å; Y222-R226 PolarHBondContact O-N 3.17Å; D223-R226 PolarHBondContact O-N 2.99Å; I224-R226 VanDerWaalsContact C-N 3.33Å; I224-R226 PolarHBondContact O-N 3.19Å; R226-I231 VanDerWaalsContact CA-O 3.3Å; R226-I231 WeakPolarHBondContact CA-O 3.39Å; R226-P234 HydrophobicContact CB-CG 4.13Å
227	R	95	Very high	94.7	Very high	104 Å²	104	55.9 Å²	55.9	39%	0.392	26%	0.256	S	S	.	.	H	α-helix	trans	-78	-43.2	-175.7	-179	171.2	49.7	83.5	3	112.8	D223 I224 A311 N312	D223-R227 WeakPolarHBondContact O-CB 3.37Å; D223-R227 PolarHBondContact O-N 3.49Å; I224-R227 PolarHBondContact O-N 3.15Å; R227-A311 PolarHBondContact NH2-O 3.36Å; R227-N312 PolarHBondContact NH1-OD1 3.11Å; R227-N312 PolarHBondContact NH2-OD1 2.69Å
228	N	94.7	Very high	94.7	Very high	29 Å²	29	56.6 Å²	56.6	16%	0.155	26%	0.26	C	S	.	.	H	α-helix	trans	-97.3	-28.4	-169.6	-64.9	-7.2	0	0	0	113.2	I224 V287 N312	I224-N228 VanDerWaalsContact O-CB 3.26Å; I224-N228 WeakPolarHBondContact O-CB 3.45Å; I224-N228 PolarHBondContact O-N 2.86Å; N228-V287 HydrophobicContact CB-CB 4.3Å; N228-V287 HydrophobicContact CB-CG1 4.04Å; N228-V287 WeakPolarHBondContact CB-O 3.31Å; N228-N312 PolarHBondContact ND2-OD1 2.86Å
229	L	94.2	Very high	94.8	Very high	14 Å²	14	55.7 Å²	55.7	7%	0.073	25%	0.254	C	S	.	.	S	Bend	trans	-102.2	0.2	179.8	-50.6	178.9	0	0	0	113.4	C225 I231 V287 I288 D379 L380	C225-L229 HydrophobicContact CB-CD1 4.31Å; C225-L229 WeakPolarHBondContact O-CA 3.41Å; C225-L229 WeakPolarHBondContact O-CB 3.3Å; C225-L229 PolarHBondContact O-N 3.05Å; L229-I231 HydrophobicContact CB-CD1 3.8Å; L229-I231 HydrophobicContact CB-CG1 3.84Å; L229-I231 HydrophobicContact CD1-CD1 4.07Å; L229-I231 PolarHBondContact O-N 2.99Å; L229-V287 HydrophobicContact CD1-CG1 4.24Å; L229-V287 HydrophobicContact CD2-CG1 3.65Å; L229-V287 HydrophobicContact CG-CG1 3.89Å; L229-I288 VanDerWaalsContact CD2-C 3.45Å; L229-D379 HydrophobicContact CD1-CB 4.2Å; L229-L380 HydrophobicContact CD1-CD2 4.26Å; L229-L380 HydrophobicContact CD2-CD2 3.94Å
230	D	91.3	Very high	94.9	Very high	90 Å²	90	55.2 Å²	55.2	48%	0.481	25%	0.253	S	S	.	.			trans	56.4	27.4	-177.5	-52.2	-63.1	0	0	0	114.2	E232 K292	D230-E232 PolarHBondContact O-N 3.23Å; D230-K292 IonicContact OD1-NZ 2.69Å; D230-K292 PolarHBondContact OD1-NZ 3.46Å; D230-K292 WeakPolarHBondContact OD2-CE 3.33Å; D230-K292 IonicContact OD2-NZ 3.94Å; D230-K292 PolarHBondContact OD2-NZ 3.14Å
231	I	92.4	Very high	94.9	Very high	30 Å²	30	57.9 Å²	57.9	15%	0.154	26%	0.262	C	S	.	.			trans	-86.7	110.9	177.9	-54.5	172.3	0	0	0	107.9	R226 L229 R233 P234 N238 D379	R226-I231 VanDerWaalsContact CA-O 3.3Å; R226-I231 WeakPolarHBondContact CA-O 3.39Å; L229-I231 HydrophobicContact CB-CD1 3.8Å; L229-I231 HydrophobicContact CB-CG1 3.84Å; L229-I231 HydrophobicContact CD1-CD1 4.07Å; L229-I231 PolarHBondContact O-N 2.99Å; I231-R233 VanDerWaalsContact C-N 3.29Å; I231-R233 PolarHBondContact O-N 2.92Å; I231-P234 HydrophobicContact CB-CG 4.13Å; I231-P234 HydrophobicContact CG2-CB 4.37Å; I231-P234 HydrophobicContact CG2-CG 4.06Å; I231-P234 VanDerWaalsContact O-CD 3.29Å; I231-P234 WeakPolarHBondContact O-CD 3.12Å; I231-N238 HydrophobicContact CD1-CB 4.2Å; I231-D379 HydrophobicContact CD1-CB 3.86Å
232	E	93	Very high	94.9	Very high	143 Å²	143	58 Å²	58	67%	0.668	26%	0.262	S	S	*	.	S	Bend	trans	-61.8	-37.6	-177.6	-169.1	-172.5	162.5	0	0	112.7	D230	D230-E232 PolarHBondContact O-N 3.23Å
233	R	94.1	Very high	95	Very high	190 Å²	190	54.5 Å²	54.5	72%	0.717	25%	0.249	S	C	*	.	S	Bend	trans	-132.8	80	179.3	-61.1	-176	-174.8	-158.7	-0.2	110.9	I231	I231-R233 VanDerWaalsContact C-N 3.29Å; I231-R233 PolarHBondContact O-N 2.92Å
234	P	95	Very high	95	Very high	11 Å²	11	51.8 Å²	51.8	7%	0.071	24%	0.235	C	C	.	.			trans	-54.7	145.1	173.8	-24	32.8	0	0	0	111.9	Y222 C225 R226 I231 L239	Y222-P234 HydrophobicContact CD1-CG 4.48Å; Y222-P234 HydrophobicContact CD2-CB 3.77Å; Y222-P234 HydrophobicContact CD2-CG 4.05Å; Y222-P234 HydrophobicContact CE1-CG 4.46Å; Y222-P234 HydrophobicContact CE2-CB 3.95Å; Y222-P234 HydrophobicContact CE2-CG 4.06Å; Y222-P234 VanDerWaalsContact CE2-O 3.3Å; Y222-P234 WeakPolarHBondContact CE2-O 3.36Å; Y222-P234 HydrophobicContact CG-CB 4.34Å; Y222-P234 HydrophobicContact CG-CG 4.27Å; C225-P234 HydrophobicContact CB-CB 3.83Å; C225-P234 HydrophobicContact CB-CG 3.65Å; R226-P234 HydrophobicContact CB-CG 4.13Å; I231-P234 HydrophobicContact CB-CG 4.13Å; I231-P234 HydrophobicContact CG2-CB 4.37Å; I231-P234 HydrophobicContact CG2-CG 4.06Å; I231-P234 VanDerWaalsContact O-CD 3.29Å; I231-P234 WeakPolarHBondContact O-CD 3.12Å; P234-L239 HydrophobicContact CB-CD1 3.83Å
235	T	94.5	Very high	95.1	Very high	71 Å²	71	52 Å²	52	44%	0.436	24%	0.236	S	C	.	.			trans	-114.1	165.1	176.7	65.9	0	0	0	0	109.8	T237 N238 L239	T235-T237 PolarHBondContact O-N 2.64Å; T235-T237 VanDerWaalsContact O-N 3.08Å; T235-T237 PolarHBondContact OG1-N 3.25Å; T235-N238 PolarHBondContact N-OD1 3.11Å; T235-N238 WeakPolarHBondContact O-CA 3.34Å; T235-N238 WeakPolarHBondContact O-CB 3.2Å; T235-N238 PolarHBondContact O-N 3.43Å; T235-N238 PolarHBondContact OG1-OD1 3.46Å; T235-L239 VanDerWaalsContact O-CD1 3.27Å; T235-L239 WeakPolarHBondContact O-CD1 3.48Å; T235-L239 PolarHBondContact O-N 3.42Å; T235-L239 VanDerWaalsContact O-N 3.13Å
236	Y	94	Very high	95.1	Very high	99 Å²	99	52.1 Å²	52.1	39%	0.388	24%	0.236	S	C	.	.	H	α-helix	trans	-55	-28.3	174.7	-71.1	-65.2	0	0	0	113.3	N238 L239 N240	Y236-N238 VanDerWaalsContact C-N 3.35Å; Y236-N238 PolarHBondContact O-N 3.49Å; Y236-L239 HydrophobicContact CD1-CD2 4.17Å; Y236-L239 HydrophobicContact CE1-CD2 4.45Å; Y236-L239 PolarHBondContact O-N 3.19Å; Y236-N240 WeakPolarHBondContact O-CB 3.45Å; Y236-N240 PolarHBondContact O-N 3.42Å; Y236-N240 PolarHBondContact O-ND2 3.3Å
237	T	94.9	Very high	95.1	Very high	73 Å²	73	45.6 Å²	45.6	45%	0.448	21%	0.212	S	C	.	.	H	α-helix	trans	-61.3	-41.8	171.8	-55.2	0	0	0	0	112.2	T235 R241	T235-T237 PolarHBondContact O-N 2.64Å; T235-T237 VanDerWaalsContact O-N 3.08Å; T235-T237 PolarHBondContact OG1-N 3.25Å; T237-R241 WeakPolarHBondContact O-CB 3.34Å; T237-R241 VanDerWaalsContact O-CG 3.25Å; T237-R241 WeakPolarHBondContact O-CG 3.29Å; T237-R241 PolarHBondContact O-N 2.62Å; T237-R241 VanDerWaalsContact O-N 3.15Å
238	N	95	Very high	95.2	Very high	16 Å²	16	40.7 Å²	40.7	9%	0.086	19%	0.193	C	C	.	.	H	α-helix	trans	-68.7	-44.3	178	-50.2	111.8	0	0	0	110.7	I231 T235 Y236 R241 L242 D379	I231-N238 HydrophobicContact CD1-CB 4.2Å; T235-N238 PolarHBondContact N-OD1 3.11Å; T235-N238 WeakPolarHBondContact O-CA 3.34Å; T235-N238 WeakPolarHBondContact O-CB 3.2Å; T235-N238 PolarHBondContact O-N 3.43Å; T235-N238 PolarHBondContact OG1-OD1 3.46Å; Y236-N238 VanDerWaalsContact C-N 3.35Å; Y236-N238 PolarHBondContact O-N 3.49Å; N238-R241 PolarHBondContact O-N 3.29Å; N238-L242 PolarHBondContact O-N 2.92Å; N238-D379 PolarHBondContact ND2-OD1 3.16Å; N238-D379 PolarHBondContact ND2-OD2 2.92Å
239	L	95.9	Very high	95.2	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-60.8	-50.6	178.4	-81.7	58.6	0	0	0	110.8	N218 I221 P234 T235 Y236 R241 L242 I243	N218-L239 HydrophobicContact CB-CD2 4.01Å; I221-L239 HydrophobicContact CB-CG 4.06Å; I221-L239 HydrophobicContact CG2-CB 3.88Å; I221-L239 HydrophobicContact CG2-CD1 4.44Å; I221-L239 HydrophobicContact CG2-CG 3.6Å; P234-L239 HydrophobicContact CB-CD1 3.83Å; T235-L239 VanDerWaalsContact O-CD1 3.27Å; T235-L239 WeakPolarHBondContact O-CD1 3.48Å; T235-L239 PolarHBondContact O-N 3.42Å; T235-L239 VanDerWaalsContact O-N 3.13Å; Y236-L239 HydrophobicContact CD1-CD2 4.17Å; Y236-L239 HydrophobicContact CE1-CD2 4.45Å; Y236-L239 PolarHBondContact O-N 3.19Å; L239-R241 VanDerWaalsContact C-N 3.29Å; L239-R241 PolarHBondContact O-N 3.25Å; L239-L242 WeakPolarHBondContact O-CB 3.45Å; L239-L242 PolarHBondContact O-N 2.89Å; L239-I243 WeakPolarHBondContact O-CG1 3.35Å; L239-I243 PolarHBondContact O-N 3.01Å
240	N	96.5	Very high	95.2	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.053	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-28.7	-177.6	-66.3	-17.3	0	0	0	112.9	Q27 I28 S31 Y236 I243 G244	Q27-N240 WeakPolarHBondContact CB-ND2 3.4Å; I28-N240 WeakPolarHBondContact CG1-OD1 3.29Å; S31-N240 VanDerWaalsContact OG-CB 3.3Å; S31-N240 WeakPolarHBondContact OG-CB 3.41Å; Y236-N240 WeakPolarHBondContact O-CB 3.45Å; Y236-N240 PolarHBondContact O-N 3.42Å; Y236-N240 PolarHBondContact O-ND2 3.3Å; N240-I243 PolarHBondContact O-N 3.5Å; N240-G244 PolarHBondContact O-N 2.89Å
241	R	95.9	Very high	95.3	Very high	59 Å²	59	34.5 Å²	34.5	22%	0.223	16%	0.161	C	C	.	.	H	α-helix	trans	-66	-38.5	171.2	-80.1	173.8	174.9	155.2	0.7	112.4	T237 N238 L239 G244 Q245 D379	T237-R241 WeakPolarHBondContact O-CB 3.34Å; T237-R241 VanDerWaalsContact O-CG 3.25Å; T237-R241 WeakPolarHBondContact O-CG 3.29Å; T237-R241 PolarHBondContact O-N 2.62Å; T237-R241 VanDerWaalsContact O-N 3.15Å; N238-R241 PolarHBondContact O-N 3.29Å; L239-R241 VanDerWaalsContact C-N 3.29Å; L239-R241 PolarHBondContact O-N 3.25Å; R241-G244 PolarHBondContact O-N 2.96Å; R241-Q245 PolarHBondContact O-N 3.09Å; R241-D379 IonicContact NH1-OD2 3.46Å
242	L	96.4	Very high	95.3	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-69.9	-41	175.5	-176.9	51.6	0	0	0	111.1	I221 I224 N238 L239 G244 Q245 I246 Y284 V287 M314	I221-L242 HydrophobicContact CG2-CB 4.4Å; I221-L242 HydrophobicContact CG2-CD2 4Å; I224-L242 HydrophobicContact CG2-CD2 3.85Å; N238-L242 PolarHBondContact O-N 2.92Å; L239-L242 WeakPolarHBondContact O-CB 3.45Å; L239-L242 PolarHBondContact O-N 2.89Å; L242-G244 VanDerWaalsContact C-N 3.28Å; L242-G244 PolarHBondContact O-N 3.2Å; L242-Q245 WeakPolarHBondContact O-CB 3.38Å; L242-Q245 PolarHBondContact O-N 3.33Å; L242-Q245 VanDerWaalsContact O-N 3.12Å; L242-I246 PolarHBondContact O-N 3.09Å; L242-Y284 HydrophobicContact CD1-CD1 4.1Å; L242-Y284 HydrophobicContact CD1-CG 4.44Å; L242-V287 HydrophobicContact CD1-CG2 3.81Å; L242-V287 HydrophobicContact CD2-CG1 4.34Å; L242-V287 HydrophobicContact CD2-CG2 4.2Å; L242-M314 HydrophobicContact CD1-CE 3.91Å; L242-M314 HydrophobicContact CD2-CE 3.91Å; L242-M314 HydrophobicContact CG-CE 3.7Å; L242-M314 HydrophobicContact CG-SD 4.38Å
243	I	97.4	Very high	95	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-59.5	-40.6	170.8	-62.3	169.6	0	0	0	110.6	I28 I183 V216 I221 L239 N240 Q245 I246 V247	I28-I243 HydrophobicContact CD1-CD1 4.15Å; I28-I243 HydrophobicContact CG1-CD1 4.16Å; I28-I243 HydrophobicContact CG1-CG2 4.48Å; I28-I243 HydrophobicContact CG2-CG2 3.69Å; I183-I243 HydrophobicContact CD1-CD1 3.58Å; V216-I243 HydrophobicContact CG2-CD1 4.26Å; I221-I243 HydrophobicContact CD1-CD1 3.84Å; I221-I243 HydrophobicContact CD1-CG1 3.7Å; L239-I243 WeakPolarHBondContact O-CG1 3.35Å; L239-I243 PolarHBondContact O-N 3.01Å; N240-I243 PolarHBondContact O-N 3.5Å; I243-Q245 VanDerWaalsContact C-N 3.25Å; I243-Q245 PolarHBondContact O-N 3.4Å; I243-I246 VanDerWaalsContact O-CB 3.31Å; I243-I246 WeakPolarHBondContact O-CB 3.38Å; I243-I246 PolarHBondContact O-N 2.81Å; I243-V247 HydrophobicContact CG2-CG2 4.06Å; I243-V247 VanDerWaalsContact O-CG2 3.28Å; I243-V247 WeakPolarHBondContact O-CG2 3.34Å; I243-V247 PolarHBondContact O-N 3.16Å
244	G	97.2	Very high	94.7	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-55.9	-38	174.8	0	0	0	0	0	113.3	L35 N240 R241 L242 V247 S248	L35-G244 WeakPolarHBondContact CD2-O 3.47Å; N240-G244 PolarHBondContact O-N 2.89Å; R241-G244 PolarHBondContact O-N 2.96Å; L242-G244 VanDerWaalsContact C-N 3.28Å; L242-G244 PolarHBondContact O-N 3.2Å; G244-V247 PolarHBondContact O-N 2.73Å; G244-S248 WeakPolarHBondContact O-CB 3.48Å; G244-S248 PolarHBondContact O-N 3.44Å
245	Q	97.3	Very high	94.4	Very high	7 Å²	7	18.3 Å²	18.3	3%	0.033	9%	0.094	C	C	.	.	H	α-helix	trans	-66.7	-38.2	175.8	-66.4	-60	-33.7	0	0	113.1	R241 L242 I243 S249 Y284 T373 L380	R241-Q245 PolarHBondContact O-N 3.09Å; L242-Q245 WeakPolarHBondContact O-CB 3.38Å; L242-Q245 PolarHBondContact O-N 3.33Å; L242-Q245 VanDerWaalsContact O-N 3.12Å; I243-Q245 VanDerWaalsContact C-N 3.25Å; I243-Q245 PolarHBondContact O-N 3.4Å; Q245-S249 WeakPolarHBondContact O-CB 3.16Å; Q245-S249 PolarHBondContact O-N 2.96Å; Q245-S249 PolarHBondContact O-OG 2.8Å; Q245-Y284 HydrophobicContact CB-CD2 4.33Å; Q245-Y284 HydrophobicContact CB-CE1 4.12Å; Q245-Y284 HydrophobicContact CB-CE2 3.87Å; Q245-Y284 PolarHBondContact OE1-OH 3.35Å; Q245-T373 PolarHBondContact NE2-O 3Å; Q245-L380 HydrophobicContact CG-CD1 3.68Å
246	I	96.4	Very high	94	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-60.9	-55.9	173.2	-62.6	159.9	0	0	0	108.9	F181 V216 L242 I243 S248 S249 I250 V282 M314	F181-I246 HydrophobicContact CE1-CG2 4.46Å; V216-I246 HydrophobicContact CG1-CD1 4.22Å; L242-I246 PolarHBondContact O-N 3.09Å; I243-I246 VanDerWaalsContact O-CB 3.31Å; I243-I246 WeakPolarHBondContact O-CB 3.38Å; I243-I246 PolarHBondContact O-N 2.81Å; I246-S248 VanDerWaalsContact C-N 3.28Å; I246-S248 PolarHBondContact O-N 2.98Å; I246-S249 CarbonylContact O-C 3.53Å; I246-S249 WeakPolarHBondContact O-CA 3.34Å; I246-S249 WeakPolarHBondContact O-CB 3.42Å; I246-S249 PolarHBondContact O-N 2.99Å; I246-I250 HydrophobicContact CG2-CD1 3.94Å; I246-I250 HydrophobicContact CG2-CG1 4.27Å; I246-I250 WeakPolarHBondContact O-CG1 3.43Å; I246-I250 PolarHBondContact O-N 3.4Å; I246-V282 HydrophobicContact CB-CG1 4.21Å; I246-V282 HydrophobicContact CD1-CB 4.5Å; I246-V282 HydrophobicContact CD1-CG1 3.63Å; I246-V282 HydrophobicContact CG1-CG1 3.7Å; I246-V282 HydrophobicContact CG2-CG1 3.47Å; I246-V282 VanDerWaalsContact CG2-CG1 3.47Å; I246-V282 HydrophobicContact CG2-CG2 4.46Å; I246-M314 HydrophobicContact CD1-CE 3.62Å; I246-M314 HydrophobicContact CD1-SD 3.17Å; I246-M314 WeakPolarHBondContact CD1-SD 3.46Å; I246-M314 HydrophobicContact CG1-CE 4Å; I246-M314 HydrophobicContact CG1-SD 4.19Å
247	V	96.7	Very high	93.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58	-44.7	-176.3	176.9	0	0	0	0	110	C32 Y36 F150 F181 I243 G244 S249 I250 T251	C32-V247 HydrophobicContact CB-CG1 4.41Å; Y36-V247 WeakPolarHBondContact OH-CG1 3.29Å; F150-V247 HydrophobicContact CE1-CB 4.48Å; F150-V247 HydrophobicContact CE1-CG1 3.88Å; F150-V247 HydrophobicContact CE1-CG2 3.72Å; F150-V247 HydrophobicContact CZ-CG1 3.82Å; F150-V247 HydrophobicContact CZ-CG2 4.46Å; F181-V247 HydrophobicContact CD1-CG2 3.61Å; F181-V247 HydrophobicContact CE1-CB 4.19Å; F181-V247 HydrophobicContact CE1-CG1 4.47Å; F181-V247 HydrophobicContact CE1-CG2 3.51Å; F181-V247 HydrophobicContact CE2-CG1 4.5Å; F181-V247 HydrophobicContact CG-CG2 4.17Å; F181-V247 HydrophobicContact CZ-CB 4.37Å; F181-V247 HydrophobicContact CZ-CG1 4.19Å; F181-V247 HydrophobicContact CZ-CG2 4.05Å; I243-V247 HydrophobicContact CG2-CG2 4.06Å; I243-V247 VanDerWaalsContact O-CG2 3.28Å; I243-V247 WeakPolarHBondContact O-CG2 3.34Å; I243-V247 PolarHBondContact O-N 3.16Å; G244-V247 PolarHBondContact O-N 2.73Å; V247-S249 VanDerWaalsContact C-N 3.29Å; V247-S249 PolarHBondContact O-N 2.89Å; V247-I250 PolarHBondContact O-N 3.42Å; V247-T251 WeakPolarHBondContact O-CG2 3.48Å; V247-T251 PolarHBondContact O-N 3.46Å; V247-T251 PolarHBondContact O-OG1 2.78Å
248	S	95.5	Very high	92.4	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.007	9%	0.086	C	C	.	.	H	α-helix	trans	-59.1	-38.4	173.2	172.3	0	0	0	0	113.1	E39 G244 I246 A252 R255 R332	E39-S248 PolarHBondContact OE1-OG 3.49Å; E39-S248 PolarHBondContact OE2-OG 3.01Å; E39-S248 VanDerWaalsContact OE2-OG 3.07Å; G244-S248 WeakPolarHBondContact O-CB 3.48Å; G244-S248 PolarHBondContact O-N 3.44Å; I246-S248 VanDerWaalsContact C-N 3.28Å; I246-S248 PolarHBondContact O-N 2.98Å; S248-A252 WeakPolarHBondContact O-CA 3.38Å; S248-A252 WeakPolarHBondContact O-CB 3.3Å; S248-A252 PolarHBondContact O-N 2.9Å; S248-R255 PolarHBondContact O-NH2 2.78Å; S248-R255 VanDerWaalsContact O-NH2 3.08Å; S248-R255 PolarHBondContact OG-NH2 2.75Å; S248-R332 PolarHBondContact O-NH1 3.11Å; S248-R332 VanDerWaalsContact O-NH1 3.1Å; S248-R332 PolarHBondContact OG-NH1 3.34Å
249	S	95.4	Very high	91.4	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-70.8	-40.5	179	-59.2	0	0	0	0	112.4	Q245 I246 V247 A252 Y284 C388	Q245-S249 WeakPolarHBondContact O-CB 3.16Å; Q245-S249 PolarHBondContact O-N 2.96Å; Q245-S249 PolarHBondContact O-OG 2.8Å; I246-S249 CarbonylContact O-C 3.53Å; I246-S249 WeakPolarHBondContact O-CA 3.34Å; I246-S249 WeakPolarHBondContact O-CB 3.42Å; I246-S249 PolarHBondContact O-N 2.99Å; V247-S249 VanDerWaalsContact C-N 3.29Å; V247-S249 PolarHBondContact O-N 2.89Å; S249-A252 WeakPolarHBondContact O-CB 3.37Å; S249-A252 PolarHBondContact O-N 2.88Å; S249-Y284 WeakPolarHBondContact OG-CE2 3.21Å; S249-C388 VanDerWaalsContact CB-CB 3.44Å
250	I	94	Very high	90.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.5	-41.1	175.8	-62.1	-170.3	0	0	0	111	F181 F214 I246 V247 F267 L330 L390	F181-I250 HydrophobicContact CE1-CD1 3.6Å; F181-I250 HydrophobicContact CE1-CG1 4.49Å; F181-I250 HydrophobicContact CZ-CB 4.25Å; F181-I250 HydrophobicContact CZ-CD1 3.91Å; F181-I250 HydrophobicContact CZ-CG2 4.17Å; F214-I250 HydrophobicContact CD1-CD1 4.18Å; F214-I250 HydrophobicContact CD2-CD1 3.76Å; F214-I250 HydrophobicContact CE1-CD1 4.25Å; F214-I250 HydrophobicContact CE2-CD1 3.82Å; F214-I250 HydrophobicContact CE2-CG2 4.09Å; F214-I250 HydrophobicContact CG-CD1 3.93Å; F214-I250 HydrophobicContact CZ-CD1 4.07Å; F214-I250 HydrophobicContact CZ-CG2 4.34Å; I246-I250 HydrophobicContact CG2-CD1 3.94Å; I246-I250 HydrophobicContact CG2-CG1 4.27Å; I246-I250 WeakPolarHBondContact O-CG1 3.43Å; I246-I250 PolarHBondContact O-N 3.4Å; V247-I250 PolarHBondContact O-N 3.42Å; I250-F267 HydrophobicContact CB-CZ 4.48Å; I250-F267 HydrophobicContact CG2-CD2 4.34Å; I250-F267 HydrophobicContact CG2-CE1 4.31Å; I250-F267 HydrophobicContact CG2-CE2 3.63Å; I250-F267 HydrophobicContact CG2-CZ 3.62Å; I250-L330 HydrophobicContact CB-CD1 4.41Å; I250-L330 HydrophobicContact CG1-CD1 4.01Å; I250-L390 HydrophobicContact CD1-CD1 3.9Å; I250-L390 HydrophobicContact CD1-CD2 3.55Å; I250-L390 HydrophobicContact CD1-CG 4.32Å; I250-L390 HydrophobicContact CG1-CD1 4.07Å; I250-L390 HydrophobicContact CG1-CD2 4.12Å
251	T	93.3	Very high	88.9	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-89.8	-2.1	-177.9	65.6	0	0	0	0	114.1	Y36 F64 L148 V247 S253 L254 R255	Y36-T251 WeakPolarHBondContact OH-CB 3.49Å; Y36-T251 VanDerWaalsContact OH-CG2 3.22Å; Y36-T251 WeakPolarHBondContact OH-CG2 3.41Å; Y36-T251 PolarHBondContact OH-OG1 2.75Å; F64-T251 HydrophobicContact CE1-CG2 4.34Å; F64-T251 HydrophobicContact CE2-CG2 4.24Å; F64-T251 HydrophobicContact CZ-CG2 3.6Å; L148-T251 HydrophobicContact CD1-CG2 3.7Å; V247-T251 WeakPolarHBondContact O-CG2 3.48Å; V247-T251 PolarHBondContact O-N 3.46Å; V247-T251 PolarHBondContact O-OG1 2.78Å; T251-S253 VanDerWaalsContact C-N 3.33Å; T251-S253 PolarHBondContact O-N 3.05Å; T251-L254 WeakPolarHBondContact O-CB 3.33Å; T251-L254 PolarHBondContact O-N 2.65Å; T251-L254 VanDerWaalsContact O-N 3.08Å; T251-R255 WeakPolarHBondContact O-CG 3.48Å; T251-R255 PolarHBondContact O-N 3.05Å; T251-R255 PolarHBondContact O-NE 3.02Å; T251-R255 PolarHBondContact OG1-NE 3.06Å; T251-R255 PolarHBondContact OG1-NH2 2.85Å
252	A	92	Very high	87.8	Confident	2 Å²	2	20.7 Å²	20.7	2%	0.017	12%	0.12	C	C	.	.	H	α-helix	trans	-55.8	-46.1	-174.7	0	0	0	0	0	112.7	S248 S249 L254 R255 F256 N368	S248-A252 WeakPolarHBondContact O-CA 3.38Å; S248-A252 WeakPolarHBondContact O-CB 3.3Å; S248-A252 PolarHBondContact O-N 2.9Å; S249-A252 WeakPolarHBondContact O-CB 3.37Å; S249-A252 PolarHBondContact O-N 2.88Å; A252-L254 PolarHBondContact O-N 2.83Å; A252-R255 CarbonylContact O-C 3.45Å; A252-R255 PolarHBondContact O-N 3.13Å; A252-F256 PolarHBondContact O-N 3.24Å; A252-N368 HydrophobicContact CB-CB 4.08Å; A252-N368 PolarHBondContact O-ND2 2.81Å
253	S	88.4	Confident	86.9	Confident	18 Å²	18	22.2 Å²	22.2	13%	0.126	13%	0.128	C	C	.	.	H	α-helix	trans	-66.9	-16.7	-178.5	49.6	0	0	0	0	113.9	T251 N261 V262	T251-S253 VanDerWaalsContact C-N 3.33Å; T251-S253 PolarHBondContact O-N 3.05Å; S253-N261 PolarHBondContact O-ND2 3.24Å; S253-V262 VanDerWaalsContact CB-N 3.34Å; S253-V262 WeakPolarHBondContact CB-O 3.4Å; S253-V262 PolarHBondContact OG-O 3.03Å
254	L	87.2	Confident	86.3	Confident	13 Å²	13	22.1 Å²	22.1	7%	0.068	13%	0.128	C	C	.	.	H	α-helix	trans	-91.4	-14.4	174.3	-57.4	177.2	0	0	0	112.6	V16 T63 F64 T251 A252 L264	V16-L254 HydrophobicContact CG2-CD1 4.18Å; T63-L254 WeakPolarHBondContact CB-O 3.46Å; T63-L254 HydrophobicContact CG2-CB 3.82Å; T63-L254 PolarHBondContact OG1-O 3.38Å; F64-L254 HydrophobicContact CE2-CB 4.25Å; F64-L254 HydrophobicContact CE2-CD1 4.45Å; F64-L254 HydrophobicContact CZ-CD1 4.33Å; T251-L254 WeakPolarHBondContact O-CB 3.33Å; T251-L254 PolarHBondContact O-N 2.65Å; T251-L254 VanDerWaalsContact O-N 3.08Å; A252-L254 PolarHBondContact O-N 2.83Å; L254-L264 HydrophobicContact CD1-CD2 3.64Å; L254-L264 HydrophobicContact CD1-CG 3.89Å
255	R	89.1	Confident	85.7	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-119.5	-15.4	-171	-66.7	-175	-57.2	113.7	-2.7	114.2	E39 H40 S60 F64 S248 T251 A252	E39-R255 IonicContact OE2-CZ 3.41Å; E39-R255 IonicContact OE2-NH1 2.67Å; E39-R255 PolarHBondContact OE2-NH1 3.05Å; E39-R255 IonicContact OE2-NH2 2.82Å; E39-R255 PolarHBondContact OE2-NH2 3.08Å; H40-R255 PolarHBondContact NE2-NH1 3.27Å; S60-R255 WeakPolarHBondContact CB-O 2.98Å; S60-R255 WeakPolarHBondContact O-CA 3.02Å; S60-R255 PolarHBondContact OG-O 3.05Å; F64-R255 HydrophobicContact CD2-CG 3.45Å; F64-R255 VanDerWaalsContact CD2-CG 3.45Å; F64-R255 HydrophobicContact CE2-CG 3.56Å; S248-R255 PolarHBondContact O-NH2 2.78Å; S248-R255 VanDerWaalsContact O-NH2 3.08Å; S248-R255 PolarHBondContact OG-NH2 2.75Å; T251-R255 WeakPolarHBondContact O-CG 3.48Å; T251-R255 PolarHBondContact O-N 3.05Å; T251-R255 PolarHBondContact O-NE 3.02Å; T251-R255 PolarHBondContact OG1-NE 3.06Å; T251-R255 PolarHBondContact OG1-NH2 2.85Å; A252-R255 CarbonylContact O-C 3.45Å; A252-R255 PolarHBondContact O-N 3.13Å
256	F	86.5	Confident	85.2	Confident	28 Å²	28	27.1 Å²	27.1	12%	0.123	16%	0.155	C	C	.	.	S	Bend	trans	-146.8	152.1	-177.4	-57	-67	0	0	0	110.3	E39 H40 A252 N261 N368 Q370	E39-F256 HydrophobicContact CB-CE2 4.41Å; E39-F256 HydrophobicContact CB-CZ 3.87Å; H40-F256 AromaticContact CE1-CE1 3.36Å; H40-F256 WeakPolarHBondContact CE1-CE1 3.27Å; H40-F256 AromaticContact CE1-CZ 3.32Å; H40-F256 WeakPolarHBondContact CE1-CZ 3.48Å; H40-F256 AromaticContact ND1-CE1 3.61Å; H40-F256 AromaticContact ND1-CZ 3.79Å; H40-F256 AromaticContact NE2-CZ 3.67Å; A252-F256 PolarHBondContact O-N 3.24Å; F256-N261 PolarHBondContact O-ND2 3.19Å; F256-N368 WeakPolarHBondContact CB-ND2 3.06Å; F256-N368 PolarHBondContact O-ND2 3.21Å; F256-Q370 HydrophobicContact CD2-CB 4.36Å; F256-Q370 HydrophobicContact CD2-CG 4.49Å; F256-Q370 HydrophobicContact CE2-CG 4.5Å; F256-Q370 HydrophobicContact CG-CB 4.27Å
257	D	78	Confident	84.9	Confident	138 Å²	138	27.2 Å²	27.2	74%	0.738	16%	0.155	S	C	*	.			trans	-63.6	147.4	172.8	-67.3	-31.6	0	0	0	111.9	N368	D257-N368 PolarHBondContact O-ND2 3.35Å
258	G	76.1	Confident	84.6	Confident	24 Å²	24	30 Å²	30	25%	0.247	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	172	-179	0	0	0	0	0	111.6	N261 I367	G258-N261 WeakPolarHBondContact CA-OD1 3.34Å; G258-I367 CarbonylContact C-O 3.56Å; G258-I367 WeakPolarHBondContact CA-O 3.39Å
259	A	75	Confident	84.3	Confident	25 Å²	25	34.5 Å²	34.5	21%	0.207	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	139.4	165.8	0	0	0	0	0	108.8	N261 I367 Y369	A259-N261 VanDerWaalsContact C-N 3.35Å; A259-I367 PolarHBondContact N-O 3.48Å; A259-I367 PolarHBondContact O-N 3.22Å; A259-Y369 WeakPolarHBondContact CB-OH 3.37Å
260	L	71.5	Confident	84	Confident	109 Å²	109	37 Å²	37	57%	0.571	21%	0.209	S	C	*	.	S	Bend	trans	61.1	42.7	180	-48	167.2	0	0	0	112	V262 V365	L260-V262 PolarHBondContact O-N 3.49Å; L260-V365 VanDerWaalsContact CB-O 3.3Å; L260-V365 WeakPolarHBondContact CB-O 3.13Å; L260-V365 HydrophobicContact CD1-CB 4.33Å; L260-V365 HydrophobicContact CD1-CG1 4.25Å
261	N	67.8	Low	83.9	Confident	58 Å²	58	37.1 Å²	37.1	31%	0.31	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-58.1	133.5	176.7	-83.2	-6.5	0	0	0	110.8	S253 F256 G258 A259	S253-N261 PolarHBondContact O-ND2 3.24Å; F256-N261 PolarHBondContact O-ND2 3.19Å; G258-N261 WeakPolarHBondContact CA-OD1 3.34Å; A259-N261 VanDerWaalsContact C-N 3.35Å
262	V	71.8	Confident	83.9	Confident	1 Å²	1	38 Å²	38	1%	0.006	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-100.4	133.3	-178.2	-175.5	0	0	0	0	108.7	S253 L260 E266 F267 L330	S253-V262 VanDerWaalsContact CB-N 3.34Å; S253-V262 WeakPolarHBondContact CB-O 3.4Å; S253-V262 PolarHBondContact OG-O 3.03Å; L260-V262 PolarHBondContact O-N 3.49Å; V262-E266 HydrophobicContact CG1-CB 3.6Å; V262-F267 HydrophobicContact CB-CZ 4.28Å; V262-F267 HydrophobicContact CG1-CD1 4.21Å; V262-F267 HydrophobicContact CG1-CD2 4.29Å; V262-F267 HydrophobicContact CG1-CE1 3.89Å; V262-F267 HydrophobicContact CG1-CE2 3.99Å; V262-F267 HydrophobicContact CG1-CG 4.39Å; V262-F267 HydrophobicContact CG1-CZ 3.77Å; V262-L330 HydrophobicContact CG2-CD2 4.25Å
263	D	79.2	Confident	83.9	Confident	35 Å²	35	40.3 Å²	40.3	19%	0.187	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-91	173.1	169.3	76	29.7	0	0	0	112.5	T265 E266	D263-T265 VanDerWaalsContact C-N 3.3Å; D263-T265 PolarHBondContact O-N 3.3Å; D263-T265 WeakPolarHBondContact OD1-CA 3.07Å; D263-T265 WeakPolarHBondContact OD1-CB 3.21Å; D263-T265 PolarHBondContact OD1-N 3.48Å; D263-E266 PolarHBondContact O-N 3.34Å; D263-E266 PolarHBondContact OD1-N 2.74Å
264	L	83.3	Confident	84.2	Confident	1 Å²	1	45 Å²	45	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-36.6	-178.8	-67.2	-176.3	0	0	0	112.8	V16 Q145 L148 L179 L254 E266 F267	V16-L264 HydrophobicContact CB-CD1 4.49Å; V16-L264 HydrophobicContact CG1-CD1 3.99Å; V16-L264 HydrophobicContact CG2-CD1 3.63Å; V16-L264 HydrophobicContact CG2-CG 4.4Å; Q145-L264 HydrophobicContact CB-CD1 4.04Å; L148-L264 HydrophobicContact CD2-CD2 4Å; L179-L264 HydrophobicContact CD1-CB 4.29Å; L179-L264 HydrophobicContact CD1-CD2 3.61Å; L179-L264 HydrophobicContact CD1-CG 4.47Å; L254-L264 HydrophobicContact CD1-CD2 3.64Å; L254-L264 HydrophobicContact CD1-CG 3.89Å; L264-E266 VanDerWaalsContact C-N 3.29Å; L264-E266 PolarHBondContact O-N 2.83Å; L264-F267 PolarHBondContact O-N 2.84Å
265	T	84.9	Confident	84.4	Confident	64 Å²	64	49.8 Å²	49.8	39%	0.393	28%	0.277	S	S	.	.	H	α-helix	trans	-69.4	-32.8	-179.4	-45.5	0	0	0	0	110.8	D263 F267 Q268 T269	D263-T265 VanDerWaalsContact C-N 3.3Å; D263-T265 PolarHBondContact O-N 3.3Å; D263-T265 WeakPolarHBondContact OD1-CA 3.07Å; D263-T265 WeakPolarHBondContact OD1-CB 3.21Å; D263-T265 PolarHBondContact OD1-N 3.48Å; T265-F267 PolarHBondContact O-N 2.92Å; T265-Q268 WeakPolarHBondContact O-CB 3.35Å; T265-Q268 PolarHBondContact O-N 3.11Å; T265-T269 HydrophobicContact CG2-CG2 4.46Å; T265-T269 PolarHBondContact O-N 2.81Å
266	E	87.4	Confident	84.7	Confident	49 Å²	49	53.2 Å²	53.2	23%	0.229	29%	0.29	C	S	.	.	H	α-helix	trans	-64	-27.3	176.6	-82.1	-166.2	-127.6	0	0	112.8	V262 D263 L264 T269 N270 K364	V262-E266 HydrophobicContact CG1-CB 3.6Å; D263-E266 PolarHBondContact O-N 3.34Å; D263-E266 PolarHBondContact OD1-N 2.74Å; L264-E266 VanDerWaalsContact C-N 3.29Å; L264-E266 PolarHBondContact O-N 2.83Å; E266-T269 WeakPolarHBondContact CA-OG1 3.38Å; E266-T269 PolarHBondContact O-OG1 3.32Å; E266-N270 WeakPolarHBondContact O-CB 3.16Å; E266-N270 PolarHBondContact O-N 3.23Å; E266-N270 PolarHBondContact O-ND2 3.19Å; E266-K364 VanDerWaalsContact OE2-CE 3.29Å; E266-K364 WeakPolarHBondContact OE2-CE 3.21Å; E266-K364 IonicContact OE2-NZ 3.91Å; E266-K364 PolarHBondContact OE2-NZ 2.96Å
267	F	89.7	Confident	85.1	Confident	2 Å²	2	52 Å²	52	1%	0.009	29%	0.285	C	S	.	.	H	α-helix	trans	-64.3	-45.1	172.7	-72.1	-63.2	0	0	0	111.3	L179 F214 I250 V262 L264 T265 L271 L330 L390	L179-F267 HydrophobicContact CD1-CB 4.42Å; L179-F267 HydrophobicContact CD1-CD2 3.98Å; F214-F267 HydrophobicContact CZ-CB 4.23Å; F214-F267 HydrophobicContact CZ-CD1 4.29Å; F214-F267 HydrophobicContact CZ-CG 4.11Å; I250-F267 HydrophobicContact CB-CZ 4.48Å; I250-F267 HydrophobicContact CG2-CD2 4.34Å; I250-F267 HydrophobicContact CG2-CE1 4.31Å; I250-F267 HydrophobicContact CG2-CE2 3.63Å; I250-F267 HydrophobicContact CG2-CZ 3.62Å; V262-F267 HydrophobicContact CB-CZ 4.28Å; V262-F267 HydrophobicContact CG1-CD1 4.21Å; V262-F267 HydrophobicContact CG1-CD2 4.29Å; V262-F267 HydrophobicContact CG1-CE1 3.89Å; V262-F267 HydrophobicContact CG1-CE2 3.99Å; V262-F267 HydrophobicContact CG1-CG 4.39Å; V262-F267 HydrophobicContact CG1-CZ 3.77Å; L264-F267 PolarHBondContact O-N 2.84Å; T265-F267 PolarHBondContact O-N 2.92Å; F267-L271 HydrophobicContact CB-CD1 4.46Å; F267-L271 HydrophobicContact CD1-CD1 3.99Å; F267-L271 WeakPolarHBondContact O-CB 3.47Å; F267-L271 PolarHBondContact O-N 3.4Å; F267-L330 HydrophobicContact CE1-CD1 4.03Å; F267-L330 HydrophobicContact CE1-CD2 4.35Å; F267-L330 HydrophobicContact CZ-CD1 4.13Å; F267-L390 HydrophobicContact CD1-CD1 3.78Å; F267-L390 HydrophobicContact CE1-CD1 3.56Å
268	Q	89.9	Confident	86	Confident	60 Å²	60	45.4 Å²	45.4	28%	0.28	25%	0.25	S	C	.	.	H	α-helix	trans	-60.4	-55.2	175.2	-176.9	-179.6	30.9	0	0	110.7	D211 T265 N270 L271 V272	D211-Q268 HydrophobicContact CB-CG 4.36Å; D211-Q268 PolarHBondContact OD1-NE2 3.24Å; T265-Q268 WeakPolarHBondContact O-CB 3.35Å; T265-Q268 PolarHBondContact O-N 3.11Å; Q268-N270 VanDerWaalsContact C-N 3.28Å; Q268-N270 PolarHBondContact O-N 3.35Å; Q268-L271 PolarHBondContact O-N 2.98Å; Q268-V272 HydrophobicContact CG-CB 4.44Å; Q268-V272 WeakPolarHBondContact O-CA 3.4Å; Q268-V272 WeakPolarHBondContact O-CB 3.44Å; Q268-V272 PolarHBondContact O-N 2.87Å
269	T	89.5	Confident	87	Confident	95 Å²	95	44.3 Å²	44.3	58%	0.583	24%	0.238	S	C	*	.	H	α-helix	trans	-65.8	-28.6	-174.5	61.4	0	0	0	0	114	T265 E266	T265-T269 HydrophobicContact CG2-CG2 4.46Å; T265-T269 PolarHBondContact O-N 2.81Å; E266-T269 WeakPolarHBondContact CA-OG1 3.38Å; E266-T269 PolarHBondContact O-OG1 3.32Å
270	N	89.3	Confident	88.1	Confident	56 Å²	56	43.1 Å²	43.1	30%	0.299	23%	0.228	S	C	.	.	H	α-helix	trans	-93.2	-26.7	-178.7	-63.8	-54.2	0	0	0	113.7	E266 Q268 A326 K364	E266-N270 WeakPolarHBondContact O-CB 3.16Å; E266-N270 PolarHBondContact O-N 3.23Å; E266-N270 PolarHBondContact O-ND2 3.19Å; Q268-N270 VanDerWaalsContact C-N 3.28Å; Q268-N270 PolarHBondContact O-N 3.35Å; N270-A326 VanDerWaalsContact O-CB 3.31Å; N270-A326 WeakPolarHBondContact O-CB 3.37Å; N270-K364 HydrophobicContact CB-CB 4.38Å; N270-K364 HydrophobicContact CB-CG 4.37Å
271	L	92.6	Very high	89.2	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-106.9	-20.4	-175.5	-64.9	169.6	0	0	0	113.9	F214 F267 Q268 P273 P280 A326 C328 L390 N392	F214-L271 HydrophobicContact CE1-CD1 4.07Å; F267-L271 HydrophobicContact CB-CD1 4.46Å; F267-L271 HydrophobicContact CD1-CD1 3.99Å; F267-L271 WeakPolarHBondContact O-CB 3.47Å; F267-L271 PolarHBondContact O-N 3.4Å; Q268-L271 PolarHBondContact O-N 2.98Å; L271-P273 VanDerWaalsContact O-CD 3.28Å; L271-P273 WeakPolarHBondContact O-CD 3.47Å; L271-P280 HydrophobicContact CB-CG 4Å; L271-P280 HydrophobicContact CD1-CB 4.46Å; L271-P280 HydrophobicContact CD1-CG 4.08Å; L271-A326 HydrophobicContact CD2-CB 4.18Å; L271-C328 HydrophobicContact CD1-CB 4.46Å; L271-C328 HydrophobicContact CD2-CB 3.8Å; L271-C328 HydrophobicContact CG-CB 4.36Å; L271-L390 HydrophobicContact CD1-CB 3.77Å; L271-L390 HydrophobicContact CD1-CD1 3.92Å; L271-L390 HydrophobicContact CD2-CB 4.27Å; L271-N392 VanDerWaalsContact O-CB 3.26Å; L271-N392 WeakPolarHBondContact O-CB 3.01Å; L271-N392 PolarHBondContact O-ND2 2.77Å
272	V	93.7	Very high	90.7	Very high	19 Å²	19	35.2 Å²	35.2	12%	0.115	19%	0.187	C	C	.	.			trans	-112.2	95.8	-170.2	-176.1	0	0	0	0	109.7	C212 Q268 Y274 H278	C212-V272 HydrophobicContact CB-CG2 4.45Å; Q268-V272 HydrophobicContact CG-CB 4.44Å; Q268-V272 WeakPolarHBondContact O-CA 3.4Å; Q268-V272 WeakPolarHBondContact O-CB 3.44Å; Q268-V272 PolarHBondContact O-N 2.87Å; V272-Y274 WeakPolarHBondContact CG1-O 3.25Å; V272-H278 HydrophobicContact CB-CB 4.44Å; V272-H278 HydrophobicContact CG1-CB 3.71Å; V272-H278 HydrophobicContact CG2-CB 3.83Å
273	P	91.7	Very high	91.9	Very high	50 Å²	50	35.1 Å²	35.1	33%	0.325	19%	0.186	S	C	.	.	S	Bend	trans	-70.7	-32.9	179.9	27.8	-33.8	0	0	0	112.4	L271 I277 M325 W358	L271-P273 VanDerWaalsContact O-CD 3.28Å; L271-P273 WeakPolarHBondContact O-CD 3.47Å; P273-I277 HydrophobicContact CG-CG2 4.33Å; P273-M325 HydrophobicContact CG-SD 4.23Å; P273-W358 HydrophobicContact CB-CH2 3.89Å; P273-W358 HydrophobicContact CB-CZ3 4.27Å; P273-W358 HydrophobicContact CG-CH2 4.18Å
274	Y	93.1	Very high	92.8	Very high	118 Å²	118	33.8 Å²	33.8	46%	0.463	18%	0.179	S	C	.	.	S	Bend	trans	-135	141.6	178.4	-59.5	-81.4	0	0	0	109.3	V272 R276 I277 V447	V272-Y274 WeakPolarHBondContact CG1-O 3.25Å; Y274-R276 PolarHBondContact O-N 3.13Å; Y274-R276 VanDerWaalsContact O-N 3.08Å; Y274-I277 HydrophobicContact CD2-CD1 3.92Å; Y274-I277 HydrophobicContact CG-CD1 4.48Å; Y274-I277 CarbonylContact O-C 3.58Å; Y274-I277 PolarHBondContact O-N 3.48Å; Y274-V447 HydrophobicContact CD2-CG2 4.03Å; Y274-V447 HydrophobicContact CE2-CG1 4.26Å; Y274-V447 HydrophobicContact CE2-CG2 3.7Å
275	P	92.9	Very high	93.5	Very high	112 Å²	112	33.8 Å²	33.8	73%	0.727	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-35.8	-174.7	-30.4	36.3	0	0	0	115	H278	P275-H278 PolarHBondContact O-ND1 3.14Å
276	R	95	Very high	94	Very high	73 Å²	73	31 Å²	31	28%	0.275	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-24	178	-68.8	174.4	61.9	89.6	2.5	113.5	L207 Y274 H278 D436 L440 D443	L207-R276 HydrophobicContact CD2-CG 4.22Å; L207-R276 VanDerWaalsContact CD2-CZ 3.45Å; Y274-R276 PolarHBondContact O-N 3.13Å; Y274-R276 VanDerWaalsContact O-N 3.08Å; R276-H278 VanDerWaalsContact C-N 3.34Å; R276-H278 PolarHBondContact O-N 3.18Å; R276-D436 IonicContact CZ-OD1 2.62Å; R276-D436 IonicContact NH1-OD1 2.88Å; R276-D436 PolarHBondContact NH1-OD1 3.19Å; R276-D436 PolarHBondContact NH2-O 2.88Å; R276-D436 VanDerWaalsContact NH2-O 3.12Å; R276-D436 IonicContact NH2-OD1 3.95Å; R276-D436 PolarHBondContact NH2-OD1 2.97Å; R276-L440 HydrophobicContact CB-CD1 4.13Å; R276-L440 VanDerWaalsContact O-CD1 3.23Å; R276-L440 WeakPolarHBondContact O-CD1 3.31Å; R276-D443 IonicContact CZ-OD2 3.96Å; R276-D443 IonicContact NE-OD2 2.77Å; R276-D443 PolarHBondContact NE-OD2 3.07Å; R276-D443 IonicContact NH2-OD2 3.75Å
277	I	95.6	Very high	94.4	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	15%	0.154	C	C	.	.			trans	-95.9	64.2	-175.2	-56.5	-172.7	0	0	0	108.7	P273 Y274 M325 N392 D443 Y444 V447	P273-I277 HydrophobicContact CG-CG2 4.33Å; Y274-I277 HydrophobicContact CD2-CD1 3.92Å; Y274-I277 HydrophobicContact CG-CD1 4.48Å; Y274-I277 CarbonylContact O-C 3.58Å; Y274-I277 PolarHBondContact O-N 3.48Å; I277-M325 HydrophobicContact CG2-CE 3.64Å; I277-M325 HydrophobicContact CG2-SD 4.01Å; I277-N392 PolarHBondContact O-ND2 2.79Å; I277-D443 HydrophobicContact CD1-CB 4.14Å; I277-D443 HydrophobicContact CG1-CB 4.31Å; I277-Y444 HydrophobicContact CB-CE1 4.49Å; I277-Y444 HydrophobicContact CG1-CE2 4.48Å; I277-Y444 HydrophobicContact CG2-CD1 3.91Å; I277-Y444 HydrophobicContact CG2-CE1 3.34Å; I277-Y444 HydrophobicContact CG2-CE2 4.14Å; I277-Y444 VanDerWaalsContact CG2-CZ 3.43Å; I277-V447 HydrophobicContact CD1-CB 4.22Å; I277-V447 HydrophobicContact CD1-CG2 3.63Å
278	H	96.5	Very high	94.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.			trans	-118.3	26.7	-171.1	65.1	-105.9	0	0	0	114.3	L207 A213 V272 P275 R276 P280	L207-H278 PolarHBondContact O-CE1 3.36Å; L207-H278 VanDerWaalsContact O-CE1 3.3Å; A213-H278 PolarHBondContact N-O 2.77Å; V272-H278 HydrophobicContact CB-CB 4.44Å; V272-H278 HydrophobicContact CG1-CB 3.71Å; V272-H278 HydrophobicContact CG2-CB 3.83Å; P275-H278 PolarHBondContact O-ND1 3.14Å; R276-H278 VanDerWaalsContact C-N 3.34Å; R276-H278 PolarHBondContact O-N 3.18Å; H278-P280 WeakPolarHBondContact O-CD 3.33Å
279	F	97.5	Very high	94.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.			trans	-108.8	68.2	-177.5	-56.8	-84.7	0	0	0	114	F153 T203 L207 A213 M215 W400 L440 Y444	F153-F279 HydrophobicContact CZ-CE1 4.44Å; T203-F279 HydrophobicContact CG2-CZ 4.05Å; L207-F279 HydrophobicContact CD1-CE2 3.77Å; L207-F279 HydrophobicContact CD1-CZ 3.77Å; A213-F279 HydrophobicContact CB-CD1 3.74Å; A213-F279 HydrophobicContact CB-CE1 3.99Å; A213-F279 WeakPolarHBondContact O-CA 3.41Å; M215-F279 HydrophobicContact CE-CD1 4.15Å; M215-F279 HydrophobicContact CG-CB 3.94Å; M215-F279 HydrophobicContact CG-CD1 4.26Å; M215-F279 HydrophobicContact SD-CD1 3.74Å; F279-W400 HydrophobicContact CB-CH2 4.23Å; F279-W400 HydrophobicContact CB-CZ2 3.81Å; F279-W400 AromaticContact CD1-CH2 3.78Å; F279-W400 HydrophobicContact CD1-CH2 3.78Å; F279-W400 HydrophobicContact CD1-CZ2 4.09Å; F279-W400 HydrophobicContact CD2-CH2 4.21Å; F279-W400 AromaticContact CD2-CZ2 3.75Å; F279-W400 HydrophobicContact CD2-CZ2 3.75Å; F279-W400 HydrophobicContact CE1-CH2 4.17Å; F279-W400 HydrophobicContact CE2-CZ2 4.36Å; F279-W400 AromaticContact CG-CH2 3.8Å; F279-W400 HydrophobicContact CG-CH2 3.8Å; F279-W400 AromaticContact CG-CZ2 3.6Å; F279-W400 HydrophobicContact CG-CZ2 3.6Å; F279-L440 HydrophobicContact CD2-CD2 4.24Å; F279-L440 HydrophobicContact CE2-CD1 4.46Å; F279-L440 HydrophobicContact CE2-CD2 3.63Å; F279-L440 HydrophobicContact CZ-CD2 4.32Å; F279-Y444 HydrophobicContact CD2-CE2 4.34Å; F279-Y444 PolarHBondContact N-OH 2.85Å
280	P	96.6	Very high	94.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.			trans	-60.6	139.2	174.8	-23.9	33.6	0	0	0	113.5	C212 A213 F214 M215 L271 H278 S391	C212-P280 VanDerWaalsContact SG-CD 3.57Å; C212-P280 VanDerWaalsContact SG-CG 3.58Å; A213-P280 WeakPolarHBondContact O-CD 3.22Å; F214-P280 HydrophobicContact CD1-CB 4.32Å; F214-P280 HydrophobicContact CD1-CG 4.49Å; M215-P280 PolarHBondContact N-O 2.68Å; L271-P280 HydrophobicContact CB-CG 4Å; L271-P280 HydrophobicContact CD1-CB 4.46Å; L271-P280 HydrophobicContact CD1-CG 4.08Å; H278-P280 WeakPolarHBondContact O-CD 3.33Å; P280-S391 WeakPolarHBondContact CA-O 3.31Å
281	L	96.4	Very high	94.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	153.6	166.1	-53.2	-173.2	0	0	0	110.7	V315 C317 L390 S391 T393 I396	L281-V315 HydrophobicContact CD2-CB 3.91Å; L281-V315 HydrophobicContact CD2-CG1 4.24Å; L281-V315 HydrophobicContact CD2-CG2 3.95Å; L281-C317 WeakPolarHBondContact CD1-SG 3.23Å; L281-L390 CarbonylContact O-C 3.27Å; L281-L390 WeakPolarHBondContact O-CA 3.47Å; L281-S391 PolarHBondContact N-O 3.28Å; L281-S391 PolarHBondContact O-N 3.38Å; L281-T393 HydrophobicContact CD1-CG2 3.3Å; L281-T393 HydrophobicContact CG-CG2 3.75Å; L281-I396 HydrophobicContact CD2-CB 4.28Å; L281-I396 HydrophobicContact CD2-CD1 3.54Å; L281-I396 HydrophobicContact CD2-CG1 4.28Å
282	V	97.4	Very high	93.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	140.1	177.8	-174.2	0	0	0	0	111.1	F214 V216 I246 M314 M389 L390	F214-V282 HydrophobicContact CB-CG2 3.96Å; V216-V282 HydrophobicContact CG1-CB 4.19Å; V216-V282 HydrophobicContact CG1-CG2 4.31Å; I246-V282 HydrophobicContact CB-CG1 4.21Å; I246-V282 HydrophobicContact CD1-CB 4.5Å; I246-V282 HydrophobicContact CD1-CG1 3.63Å; I246-V282 HydrophobicContact CG1-CG1 3.7Å; I246-V282 HydrophobicContact CG2-CG1 3.47Å; I246-V282 VanDerWaalsContact CG2-CG1 3.47Å; I246-V282 HydrophobicContact CG2-CG2 4.46Å; V282-M314 WeakPolarHBondContact O-CB 3.3Å; V282-M314 WeakPolarHBondContact O-CG 3.24Å; V282-M314 PolarHBondContact O-N 2.64Å; V282-M389 WeakPolarHBondContact CA-O 3.37Å; V282-L390 HydrophobicContact CB-CD2 4.5Å; V282-L390 HydrophobicContact CG1-CD2 4.21Å; V282-L390 HydrophobicContact CG2-CD2 3.9Å
283	T	97.9	Very high	93.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	150.4	165.8	-57.6	0	0	0	0	110.5	C307 N312 Q313 C388 M389	T283-C307 HydrophobicContact CG2-CB 4.1Å; T283-C307 WeakPolarHBondContact CG2-O 2.97Å; T283-C307 PolarHBondContact OG1-O 3.01Å; T283-N312 HydrophobicContact CG2-CB 3.83Å; T283-N312 VanDerWaalsContact CG2-O 3.29Å; T283-N312 WeakPolarHBondContact CG2-O 3.15Å; T283-Q313 PolarHBondContact OG1-NE2 2.98Å; T283-Q313 PolarHBondContact OG1-OE1 2.74Å; T283-C388 CarbonylContact O-C 3.58Å; T283-C388 WeakPolarHBondContact O-CA 3.36Å; T283-M389 PolarHBondContact N-O 2.67Å; T283-M389 PolarHBondContact O-N 2.79Å
284	Y	97.9	Very high	92.8	Very high	7 Å²	7	41.5 Å²	41.5	3%	0.027	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138	176.5	-168.9	-94.3	0	0	0	110.8	L242 Q245 S249 V287 M314 P372 A386 C388	L242-Y284 HydrophobicContact CD1-CD1 4.1Å; L242-Y284 HydrophobicContact CD1-CG 4.44Å; Q245-Y284 HydrophobicContact CB-CD2 4.33Å; Q245-Y284 HydrophobicContact CB-CE1 4.12Å; Q245-Y284 HydrophobicContact CB-CE2 3.87Å; Q245-Y284 PolarHBondContact OE1-OH 3.35Å; S249-Y284 WeakPolarHBondContact OG-CE2 3.21Å; Y284-V287 HydrophobicContact CD1-CG2 4.07Å; Y284-M314 VanDerWaalsContact CB-CE 3.45Å; Y284-P372 WeakPolarHBondContact OH-CG 3.49Å; Y284-A386 HydrophobicContact CE1-CB 4.16Å; Y284-A386 HydrophobicContact CE2-CB 4.29Å; Y284-A386 WeakPolarHBondContact OH-CB 3.41Å; Y284-C388 HydrophobicContact CD2-CB 3.95Å; Y284-C388 HydrophobicContact CE2-CB 4.4Å
285	A	97.6	Very high	92.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	143.6	176.5	0	0	0	0	0	112.3	I303 Q306 A386 V387	A285-I303 HydrophobicContact CB-CB 4.28Å; A285-I303 WeakPolarHBondContact CB-O 3.39Å; A285-Q306 HydrophobicContact CB-CB 3.71Å; A285-A386 CarbonylContact O-C 3.39Å; A285-A386 VanDerWaalsContact O-CA 3.24Å; A285-A386 WeakPolarHBondContact O-CA 3.31Å; A285-A386 WeakPolarHBondContact O-CB 3.31Å; A285-V387 HydrophobicContact CB-CG1 4.19Å; A285-V387 PolarHBondContact N-O 2.99Å; A285-V387 PolarHBondContact O-N 3.31Å
286	P	96.4	Very high	91.7	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.039	21%	0.209	C	C	.	.			cis	-77.7	150	-5.7	34.8	-35.2	0	0	0	111.1	I288 L298 I303 V383	P286-I288 HydrophobicContact CB-CG2 4.28Å; P286-I288 HydrophobicContact CG-CG2 4.33Å; P286-L298 HydrophobicContact CB-CD2 3.79Å; P286-L298 HydrophobicContact CG-CD1 4.12Å; P286-L298 HydrophobicContact CG-CD2 3.84Å; P286-I303 HydrophobicContact CB-CG2 4.47Å; P286-I303 HydrophobicContact CG-CG2 4.41Å; P286-V383 HydrophobicContact CG-CB 4.43Å; P286-V383 HydrophobicContact CG-CG1 3.97Å; P286-V383 HydrophobicContact CG-CG2 4.43Å
287	V	95.8	Very high	91	Very high	11 Å²	11	46.9 Å²	46.9	7%	0.067	23%	0.227	C	C	.	.			trans	-105.8	108.7	160.2	179.8	0	0	0	0	105.9	I224 N228 L229 L242 Y284 L380	I224-V287 HydrophobicContact CG2-CB 4.16Å; I224-V287 HydrophobicContact CG2-CG1 3.84Å; I224-V287 HydrophobicContact CG2-CG2 4.12Å; N228-V287 HydrophobicContact CB-CB 4.3Å; N228-V287 HydrophobicContact CB-CG1 4.04Å; N228-V287 WeakPolarHBondContact CB-O 3.31Å; L229-V287 HydrophobicContact CD1-CG1 4.24Å; L229-V287 HydrophobicContact CD2-CG1 3.65Å; L229-V287 HydrophobicContact CG-CG1 3.89Å; L242-V287 HydrophobicContact CD1-CG2 3.81Å; L242-V287 HydrophobicContact CD2-CG1 4.34Å; L242-V287 HydrophobicContact CD2-CG2 4.2Å; Y284-V287 HydrophobicContact CD1-CG2 4.07Å; V287-L380 HydrophobicContact CG1-CD2 4.14Å
288	I	93.4	Very high	90.7	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.067	23%	0.232	C	C	.	.			trans	-145.4	139.6	-171.5	-170.2	166.2	0	0	0	111.1	L229 P286 K292 E296 A381 V383	L229-I288 VanDerWaalsContact CD2-C 3.45Å; P286-I288 HydrophobicContact CB-CG2 4.28Å; P286-I288 HydrophobicContact CG-CG2 4.33Å; I288-K292 HydrophobicContact CD1-CB 3.93Å; I288-K292 HydrophobicContact CG1-CB 3.67Å; I288-E296 HydrophobicContact CD1-CB 3.84Å; I288-E296 HydrophobicContact CD1-CG 3.57Å; I288-A381 HydrophobicContact CG2-CB 3.95Å; I288-A381 PolarHBondContact O-N 2.99Å; I288-V383 HydrophobicContact CG2-CG1 3.94Å
289	S	91.4	Very high	90.7	Very high	9 Å²	9	50.6 Å²	50.6	6%	0.063	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-72.2	154.5	175.6	64.8	0	0	0	0	111.8	E291 K292 A293	S289-E291 PolarHBondContact O-N 3.25Å; S289-E291 VanDerWaalsContact O-N 3.17Å; S289-K292 PolarHBondContact O-N 3.46Å; S289-K292 VanDerWaalsContact O-N 3.16Å; S289-K292 WeakPolarHBondContact OG-CG 3.24Å; S289-K292 PolarHBondContact OG-N 3.13Å; S289-A293 PolarHBondContact O-N 3.27Å
290	A	85.4	Confident	90.7	Very high	55 Å²	55	50.9 Å²	50.9	46%	0.455	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.6	176.6	0	0	0	0	0	113.1
291	E	83.5	Confident	90.7	Very high	162 Å²	162	52 Å²	52	76%	0.757	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-39.1	179.3	-60.9	-175.7	172.7	0	0	112.6	S289	S289-E291 PolarHBondContact O-N 3.25Å; S289-E291 VanDerWaalsContact O-N 3.17Å
292	K	86.2	Confident	90.7	Very high	72 Å²	72	55.1 Å²	55.1	31%	0.313	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-22.7	-177.7	-73.8	176.2	174.3	161	0	113.6	D230 I288 S289 Y294 H295	D230-K292 IonicContact OD1-NZ 2.69Å; D230-K292 PolarHBondContact OD1-NZ 3.46Å; D230-K292 WeakPolarHBondContact OD2-CE 3.33Å; D230-K292 IonicContact OD2-NZ 3.94Å; D230-K292 PolarHBondContact OD2-NZ 3.14Å; I288-K292 HydrophobicContact CD1-CB 3.93Å; I288-K292 HydrophobicContact CG1-CB 3.67Å; S289-K292 PolarHBondContact O-N 3.46Å; S289-K292 VanDerWaalsContact O-N 3.16Å; S289-K292 WeakPolarHBondContact OG-CG 3.24Å; S289-K292 PolarHBondContact OG-N 3.13Å; K292-Y294 PolarHBondContact O-N 3.38Å; K292-H295 PolarHBondContact O-N 3.33Å
293	A	83.1	Confident	90.7	Very high	26 Å²	26	55 Å²	55	22%	0.215	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.1	-172.3	0	0	0	0	0	115.3	S289 H295 A381	S289-A293 PolarHBondContact O-N 3.27Å; A293-H295 VanDerWaalsContact C-N 3.29Å; A293-H295 PolarHBondContact O-N 2.86Å; A293-A381 HydrophobicContact CB-CB 3.45Å; A293-A381 VanDerWaalsContact CB-CB 3.45Å
294	Y	79.9	Confident	90.7	Very high	205 Å²	205	55 Å²	55	80%	0.804	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-10.7	179.2	-61.6	-76.7	0	0	0	114.2	K292	K292-Y294 PolarHBondContact O-N 3.38Å
295	H	81.3	Confident	90.7	Very high	164 Å²	164	57 Å²	57	76%	0.759	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-7.3	-172.7	-64.9	-60.8	0	0	0	114.1	K292 A293	K292-H295 PolarHBondContact O-N 3.33Å; A293-H295 VanDerWaalsContact C-N 3.29Å; A293-H295 PolarHBondContact O-N 2.86Å
296	E	81.3	Confident	90.6	Very high	112 Å²	112	59.9 Å²	59.9	52%	0.523	30%	0.3	S	S	.	.			trans	-108.4	141.5	-173.5	-69.2	-69.3	174.4	0	0	112.1	I288 L298	I288-E296 HydrophobicContact CD1-CB 3.84Å; I288-E296 HydrophobicContact CD1-CG 3.57Å; E296-L298 HydrophobicContact CB-CD2 4.35Å
297	Q	79.7	Confident	90.7	Very high	140 Å²	140	59.6 Å²	59.6	65%	0.654	30%	0.298	S	S	*	.			trans	-84.9	130.9	164.4	-68.3	-170.3	10.5	0	0	108.6	E302	Q297-E302 WeakPolarHBondContact CB-OE2 3.42Å
298	L	89.8	Confident	90.7	Very high	23 Å²	23	59.7 Å²	59.7	12%	0.12	30%	0.298	C	S	.	.			trans	-116	52.3	-177.6	-60.1	178.1	0	0	0	109.5	P286 E296 I303 V383 R385	P286-L298 HydrophobicContact CB-CD2 3.79Å; P286-L298 HydrophobicContact CG-CD1 4.12Å; P286-L298 HydrophobicContact CG-CD2 3.84Å; E296-L298 HydrophobicContact CB-CD2 4.35Å; L298-I303 HydrophobicContact CB-CG2 4.42Å; L298-I303 HydrophobicContact CD2-CG2 4.46Å; L298-V383 HydrophobicContact CD1-CB 4.18Å; L298-V383 HydrophobicContact CD1-CG1 3.77Å; L298-R385 VanDerWaalsContact O-CD 3.23Å; L298-R385 WeakPolarHBondContact O-CD 3.4Å; L298-R385 PolarHBondContact O-NH1 3.37Å
299	T	96	Very high	90.8	Very high	57 Å²	57	62.4 Å²	62.4	35%	0.35	31%	0.312	S	S	.	.			trans	-66.1	155.9	175	65.8	0	0	0	0	110.5	G301 E302 I303	T299-G301 PolarHBondContact O-N 3.14Å; T299-E302 VanDerWaalsContact CB-OE2 3.28Å; T299-E302 WeakPolarHBondContact CB-OE2 3.43Å; T299-E302 VanDerWaalsContact CG2-OE2 3.3Å; T299-E302 WeakPolarHBondContact CG2-OE2 3.33Å; T299-E302 PolarHBondContact N-OE2 2.77Å; T299-E302 PolarHBondContact O-N 2.87Å; T299-E302 VanDerWaalsContact O-N 3.11Å; T299-E302 WeakPolarHBondContact OG1-CB 3.31Å; T299-E302 VanDerWaalsContact OG1-CG 3.24Å; T299-E302 WeakPolarHBondContact OG1-CG 3.44Å; T299-E302 PolarHBondContact OG1-N 3.44Å; T299-E302 PolarHBondContact OG1-OE2 2.84Å; T299-I303 PolarHBondContact O-N 3.38Å
300	V	97.7	Very high	91	Very high	6 Å²	6	63.7 Å²	63.7	4%	0.036	32%	0.32	C	S	.	.	H	α-helix	trans	-53.9	-45.2	175.3	178.8	0	0	0	0	110.2	E302 I303 T304 Y331 V335 D339 V340 A343	V300-E302 PolarHBondContact O-N 3.25Å; V300-I303 VanDerWaalsContact O-CG1 3.26Å; V300-I303 WeakPolarHBondContact O-CG1 3.23Å; V300-I303 PolarHBondContact O-N 2.65Å; V300-T304 WeakPolarHBondContact O-CB 3.5Å; V300-T304 PolarHBondContact O-N 3.44Å; V300-T304 PolarHBondContact O-OG1 2.94Å; V300-Y331 HydrophobicContact CG1-CD1 4.42Å; V300-Y331 HydrophobicContact CG1-CE1 3.75Å; V300-V335 HydrophobicContact CG1-CG1 4.31Å; V300-V335 HydrophobicContact CG2-CB 4.45Å; V300-V335 HydrophobicContact CG2-CG1 3.95Å; V300-V335 HydrophobicContact CG2-CG2 4.17Å; V300-D339 HydrophobicContact CB-CB 3.96Å; V300-D339 HydrophobicContact CG1-CB 4.27Å; V300-D339 HydrophobicContact CG2-CB 3.94Å; V300-V340 HydrophobicContact CG1-CG2 4Å; V300-A343 HydrophobicContact CG1-CB 4.3Å
301	G	97.1	Very high	91.5	Very high	22 Å²	22	63.2 Å²	63.2	23%	0.227	32%	0.316	C	S	.	.	H	α-helix	trans	-59.5	-42.1	177	0	0	0	0	0	113.8	T299 N305	T299-G301 PolarHBondContact O-N 3.14Å; G301-N305 WeakPolarHBondContact O-CB 3.34Å; G301-N305 PolarHBondContact O-N 3.47Å; G301-N305 PolarHBondContact O-ND2 2.81Å
302	E	96.3	Very high	92.1	Very high	66 Å²	66	56 Å²	56	31%	0.308	28%	0.283	S	S	.	.	H	α-helix	trans	-66.4	-49.1	179.4	-74.9	157.4	157.6	0	0	112	Q297 T299 V300 T304 N305 Q306	Q297-E302 WeakPolarHBondContact CB-OE2 3.42Å; T299-E302 VanDerWaalsContact CB-OE2 3.28Å; T299-E302 WeakPolarHBondContact CB-OE2 3.43Å; T299-E302 VanDerWaalsContact CG2-OE2 3.3Å; T299-E302 WeakPolarHBondContact CG2-OE2 3.33Å; T299-E302 PolarHBondContact N-OE2 2.77Å; T299-E302 PolarHBondContact O-N 2.87Å; T299-E302 VanDerWaalsContact O-N 3.11Å; T299-E302 WeakPolarHBondContact OG1-CB 3.31Å; T299-E302 VanDerWaalsContact OG1-CG 3.24Å; T299-E302 WeakPolarHBondContact OG1-CG 3.44Å; T299-E302 PolarHBondContact OG1-N 3.44Å; T299-E302 PolarHBondContact OG1-OE2 2.84Å; V300-E302 PolarHBondContact O-N 3.25Å; E302-T304 VanDerWaalsContact C-N 3.33Å; E302-T304 PolarHBondContact O-N 3.21Å; E302-N305 WeakPolarHBondContact O-CB 3.22Å; E302-N305 PolarHBondContact O-N 2.83Å; E302-N305 VanDerWaalsContact O-N 3.16Å; E302-Q306 WeakPolarHBondContact O-CG 3.43Å; E302-Q306 PolarHBondContact O-N 3.25Å
303	I	97.5	Very high	92.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.8	-37.4	-179.7	66.4	177.9	0	0	0	111.1	A285 P286 L298 T299 V300 N305 Q306 C307 Y331 R385 V387	A285-I303 HydrophobicContact CB-CB 4.28Å; A285-I303 WeakPolarHBondContact CB-O 3.39Å; P286-I303 HydrophobicContact CB-CG2 4.47Å; P286-I303 HydrophobicContact CG-CG2 4.41Å; L298-I303 HydrophobicContact CB-CG2 4.42Å; L298-I303 HydrophobicContact CD2-CG2 4.46Å; T299-I303 PolarHBondContact O-N 3.38Å; V300-I303 VanDerWaalsContact O-CG1 3.26Å; V300-I303 WeakPolarHBondContact O-CG1 3.23Å; V300-I303 PolarHBondContact O-N 2.65Å; I303-N305 PolarHBondContact O-N 3.3Å; I303-Q306 PolarHBondContact O-N 3.49Å; I303-C307 PolarHBondContact O-N 3.22Å; I303-Y331 HydrophobicContact CD1-CD1 4.36Å; I303-Y331 HydrophobicContact CD1-CE1 4.4Å; I303-R385 HydrophobicContact CD1-CG 4.09Å; I303-V387 HydrophobicContact CB-CG1 3.88Å; I303-V387 HydrophobicContact CD1-CB 4.26Å; I303-V387 HydrophobicContact CD1-CG1 3.93Å; I303-V387 HydrophobicContact CG1-CB 4.48Å; I303-V387 HydrophobicContact CG1-CG1 3.69Å
304	T	97.8	Very high	93.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-43.5	173	-52.3	0	0	0	0	110.8	V300 E302 Q306 C307 F308 L329 Y331 A343 I347	V300-T304 WeakPolarHBondContact O-CB 3.5Å; V300-T304 PolarHBondContact O-N 3.44Å; V300-T304 PolarHBondContact O-OG1 2.94Å; E302-T304 VanDerWaalsContact C-N 3.33Å; E302-T304 PolarHBondContact O-N 3.21Å; T304-Q306 VanDerWaalsContact C-N 3.31Å; T304-Q306 PolarHBondContact O-N 2.77Å; T304-C307 WeakPolarHBondContact O-CB 3.21Å; T304-C307 PolarHBondContact O-N 2.9Å; T304-C307 VanDerWaalsContact O-N 3.16Å; T304-F308 HydrophobicContact CG2-CE2 4.38Å; T304-F308 WeakPolarHBondContact O-CD2 3.45Å; T304-L329 HydrophobicContact CG2-CD1 4.17Å; T304-Y331 PolarHBondContact OG1-OH 2.88Å; T304-A343 HydrophobicContact CG2-CB 4.15Å; T304-I347 HydrophobicContact CG2-CD1 4.43Å; T304-I347 HydrophobicContact CG2-CG1 3.92Å
305	N	96.5	Very high	94	Very high	48 Å²	48	41.9 Å²	41.9	26%	0.257	22%	0.221	S	C	.	.	H	α-helix	trans	-62.5	-37.6	177.3	-79.5	-49.4	0	0	0	112.6	G301 E302 I303 C307 F308 I347 K350	G301-N305 WeakPolarHBondContact O-CB 3.34Å; G301-N305 PolarHBondContact O-N 3.47Å; G301-N305 PolarHBondContact O-ND2 2.81Å; E302-N305 WeakPolarHBondContact O-CB 3.22Å; E302-N305 PolarHBondContact O-N 2.83Å; E302-N305 VanDerWaalsContact O-N 3.16Å; I303-N305 PolarHBondContact O-N 3.3Å; N305-C307 VanDerWaalsContact C-N 3.27Å; N305-C307 PolarHBondContact O-N 3.24Å; N305-F308 PolarHBondContact O-N 3.01Å; N305-I347 WeakPolarHBondContact OD1-CD1 3.45Å; N305-K350 VanDerWaalsContact OD1-CE 3.28Å; N305-K350 WeakPolarHBondContact OD1-CE 3.23Å; N305-K350 PolarHBondContact OD1-NZ 3.25Å
306	Q	96.6	Very high	94.5	Very high	60 Å²	60	36.8 Å²	36.8	28%	0.28	20%	0.197	S	C	.	.	H	α-helix	trans	-63.6	-31.9	175.4	-72.5	176.5	24.7	0	0	112.3	A285 E302 I303 T304 F308 D309 N312	A285-Q306 HydrophobicContact CB-CB 3.71Å; E302-Q306 WeakPolarHBondContact O-CG 3.43Å; E302-Q306 PolarHBondContact O-N 3.25Å; I303-Q306 PolarHBondContact O-N 3.49Å; T304-Q306 VanDerWaalsContact C-N 3.31Å; T304-Q306 PolarHBondContact O-N 2.77Å; Q306-F308 PolarHBondContact O-N 2.62Å; Q306-D309 WeakPolarHBondContact O-CB 3.01Å; Q306-D309 PolarHBondContact O-N 2.99Å; Q306-N312 PolarHBondContact O-ND2 3.48Å
307	C	97.6	Very high	95	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-27.3	176.3	-78	0	0	0	0	114.1	T283 I303 T304 N305 Q313 V387 M389	T283-C307 HydrophobicContact CG2-CB 4.1Å; T283-C307 WeakPolarHBondContact CG2-O 2.97Å; T283-C307 PolarHBondContact OG1-O 3.01Å; I303-C307 PolarHBondContact O-N 3.22Å; T304-C307 WeakPolarHBondContact O-CB 3.21Å; T304-C307 PolarHBondContact O-N 2.9Å; T304-C307 VanDerWaalsContact O-N 3.16Å; N305-C307 VanDerWaalsContact C-N 3.27Å; N305-C307 PolarHBondContact O-N 3.24Å; C307-Q313 PolarHBondContact O-NE2 2.92Å; C307-Q313 VanDerWaalsContact O-NE2 3.09Å; C307-V387 VanDerWaalsContact SG-CG1 3.56Å; C307-M389 HydrophobicContact CB-CB 3.82Å; C307-M389 HydrophobicContact CB-CE 4.3Å; C307-M389 HydrophobicContact CB-CG 4.49Å; C307-M389 HydrophobicContact CB-SD 3.91Å; C307-M389 WeakPolarHBondContact O-CE 3.47Å
308	F	96.3	Very high	95.7	Very high	14 Å²	14	26.4 Å²	26.4	6%	0.061	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	3.3	178.4	-73.6	-87.4	0	0	0	113.4	T304 N305 Q306 P310 Y324 V327 I347 I353 F363 M389	T304-F308 HydrophobicContact CG2-CE2 4.38Å; T304-F308 WeakPolarHBondContact O-CD2 3.45Å; N305-F308 PolarHBondContact O-N 3.01Å; Q306-F308 PolarHBondContact O-N 2.62Å; F308-P310 WeakPolarHBondContact O-CD 3.44Å; F308-Y324 HydrophobicContact CD1-CE2 4.03Å; F308-Y324 AromaticContact CD1-CZ 3.86Å; F308-Y324 HydrophobicContact CE1-CE1 4.35Å; F308-Y324 HydrophobicContact CE1-CE2 4.11Å; F308-Y324 AromaticContact CE1-CZ 3.99Å; F308-V327 HydrophobicContact CE1-CG2 4.43Å; F308-V327 HydrophobicContact CZ-CG1 4.04Å; F308-V327 HydrophobicContact CZ-CG2 4.41Å; F308-I347 HydrophobicContact CB-CD1 4.46Å; F308-I347 HydrophobicContact CD1-CG2 4.45Å; F308-I347 HydrophobicContact CD2-CD1 3.55Å; F308-I347 HydrophobicContact CD2-CG1 4.01Å; F308-I347 HydrophobicContact CD2-CG2 4.14Å; F308-I347 HydrophobicContact CE1-CG2 4.12Å; F308-I347 HydrophobicContact CE2-CB 4.49Å; F308-I347 HydrophobicContact CE2-CD1 4.04Å; F308-I347 HydrophobicContact CE2-CG1 3.95Å; F308-I347 HydrophobicContact CE2-CG2 3.81Å; F308-I347 HydrophobicContact CG-CD1 4.14Å; F308-I347 HydrophobicContact CG-CG2 4.45Å; F308-I347 HydrophobicContact CZ-CG2 3.79Å; F308-I353 HydrophobicContact CB-CD1 3.63Å; F308-I353 HydrophobicContact CB-CG1 4.42Å; F308-I353 HydrophobicContact CD1-CD1 3.71Å; F308-I353 HydrophobicContact CD1-CG1 4.22Å; F308-I353 HydrophobicContact CD1-CG2 3.8Å; F308-I353 HydrophobicContact CD2-CD1 4.47Å; F308-I353 HydrophobicContact CE1-CD1 4.5Å; F308-I353 HydrophobicContact CE1-CG2 3.86Å; F308-I353 HydrophobicContact CG-CD1 3.69Å; F308-F363 HydrophobicContact CE2-CE1 4.17Å; F308-F363 AromaticContact CZ-CE1 3.65Å; F308-F363 HydrophobicContact CZ-CE1 3.65Å; F308-F363 AromaticContact CZ-CZ 3.9Å; F308-F363 HydrophobicContact CZ-CZ 3.9Å; F308-M389 HydrophobicContact CD1-CE 4.44Å; F308-M389 HydrophobicContact CD1-SD 4.21Å; F308-M389 HydrophobicContact CD2-SD 4.02Å; F308-M389 HydrophobicContact CE1-CE 4.46Å; F308-M389 HydrophobicContact CE1-SD 3.84Å; F308-M389 HydrophobicContact CE2-SD 3.61Å; F308-M389 HydrophobicContact CG-SD 4.3Å; F308-M389 HydrophobicContact CZ-SD 3.52Å; F308-M389 VanDerWaalsContact CZ-SD 3.52Å
309	D	95.5	Very high	95.9	Very high	70 Å²	70	25.5 Å²	25.5	37%	0.374	15%	0.146	S	C	.	.			trans	-75.2	122.7	172.7	-169	-27.7	0	0	0	109.3	Q306 A311 N312	Q306-D309 WeakPolarHBondContact O-CB 3.01Å; Q306-D309 PolarHBondContact O-N 2.99Å; D309-A311 PolarHBondContact O-N 3.11Å; D309-A311 VanDerWaalsContact O-N 3.09Å; D309-A311 WeakPolarHBondContact OD1-CB 3.19Å; D309-A311 PolarHBondContact OD1-N 3.01Å; D309-N312 PolarHBondContact O-N 3.09Å
310	P	95.6	Very high	95.8	Very high	36 Å²	36	29.8 Å²	29.8	23%	0.234	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-50.3	-33.3	174.2	-28.8	36	0	0	0	113.5	F308 N312 Q313 P319 R320	F308-P310 WeakPolarHBondContact O-CD 3.44Å; P310-N312 PolarHBondContact O-N 3.33Å; P310-Q313 PolarHBondContact O-N 3.02Å; P310-P319 HydrophobicContact CB-CG 4.37Å; P310-P319 HydrophobicContact CG-CG 4.18Å; P310-R320 HydrophobicContact CG-CG 4.15Å
311	A	95.4	Very high	95.6	Very high	45 Å²	45	35.7 Å²	35.7	37%	0.372	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-67.4	-22	-178.9	0	0	0	0	0	113	I224 R227 D309	I224-A311 WeakPolarHBondContact CG1-O 3.41Å; R227-A311 PolarHBondContact NH2-O 3.36Å; D309-A311 PolarHBondContact O-N 3.11Å; D309-A311 VanDerWaalsContact O-N 3.09Å; D309-A311 WeakPolarHBondContact OD1-CB 3.19Å; D309-A311 PolarHBondContact OD1-N 3.01Å
312	N	96.5	Very high	95.4	Very high	9 Å²	9	35 Å²	35	5%	0.048	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-97.5	-3.7	-179.1	-63.9	-24.5	0	0	0	113.2	I224 R227 N228 T283 Q306 D309 P310 M314	I224-N312 WeakPolarHBondContact CD1-O 3.38Å; R227-N312 PolarHBondContact NH1-OD1 3.11Å; R227-N312 PolarHBondContact NH2-OD1 2.69Å; N228-N312 PolarHBondContact ND2-OD1 2.86Å; T283-N312 HydrophobicContact CG2-CB 3.83Å; T283-N312 VanDerWaalsContact CG2-O 3.29Å; T283-N312 WeakPolarHBondContact CG2-O 3.15Å; Q306-N312 PolarHBondContact O-ND2 3.48Å; D309-N312 PolarHBondContact O-N 3.09Å; P310-N312 PolarHBondContact O-N 3.33Å; N312-M314 PolarHBondContact O-N 2.64Å
313	Q	96.4	Very high	95.3	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.019	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-60.8	134.7	171.4	-62.1	-56.9	-45.9	0	0	109.7	T283 C307 P310 V315 P319	T283-Q313 PolarHBondContact OG1-NE2 2.98Å; T283-Q313 PolarHBondContact OG1-OE1 2.74Å; C307-Q313 PolarHBondContact O-NE2 2.92Å; C307-Q313 VanDerWaalsContact O-NE2 3.09Å; P310-Q313 PolarHBondContact O-N 3.02Å; Q313-V315 PolarHBondContact O-N 2.93Å; Q313-P319 HydrophobicContact CG-CG 3.97Å
314	M	96.9	Very high	95.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-87.5	9.8	178.6	-59.2	-154.5	-169.3	0	0	113.2	V216 D217 A220 I221 I224 L242 I246 V282 Y284 N312	V216-M314 CarbonylContact C-O 2.94Å; V216-M314 WeakPolarHBondContact CA-O 3.05Å; V216-M314 HydrophobicContact CB-CB 4.36Å; V216-M314 HydrophobicContact CG1-CB 3.91Å; V216-M314 HydrophobicContact CG1-SD 4.42Å; D217-M314 PolarHBondContact N-O 2.79Å; A220-M314 VanDerWaalsContact CB-C 3.5Å; I221-M314 HydrophobicContact CD1-SD 4.19Å; I221-M314 HydrophobicContact CG1-CB 4.04Å; I221-M314 HydrophobicContact CG1-CG 4.24Å; I221-M314 HydrophobicContact CG1-SD 3.96Å; I224-M314 HydrophobicContact CD1-CG 4Å; L242-M314 HydrophobicContact CD1-CE 3.91Å; L242-M314 HydrophobicContact CD2-CE 3.91Å; L242-M314 HydrophobicContact CG-CE 3.7Å; L242-M314 HydrophobicContact CG-SD 4.38Å; I246-M314 HydrophobicContact CD1-CE 3.62Å; I246-M314 HydrophobicContact CD1-SD 3.17Å; I246-M314 WeakPolarHBondContact CD1-SD 3.46Å; I246-M314 HydrophobicContact CG1-CE 4Å; I246-M314 HydrophobicContact CG1-SD 4.19Å; V282-M314 WeakPolarHBondContact O-CB 3.3Å; V282-M314 WeakPolarHBondContact O-CG 3.24Å; V282-M314 PolarHBondContact O-N 2.64Å; Y284-M314 VanDerWaalsContact CB-CE 3.45Å; N312-M314 PolarHBondContact O-N 2.64Å
315	V	95.3	Very high	95	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.018	17%	0.167	C	C	.	.	S	Bend	trans	-127.9	141.8	168.8	179.4	0	0	0	0	108.8	M215 D217 L281 Q313 C317 I396	M215-V315 HydrophobicContact CB-CG2 3.84Å; M215-V315 VanDerWaalsContact O-CG2 3.29Å; M215-V315 WeakPolarHBondContact O-CG2 3.42Å; D217-V315 VanDerWaalsContact OD2-C 3.26Å; D217-V315 WeakPolarHBondContact OD2-CA 3.38Å; L281-V315 HydrophobicContact CD2-CB 3.91Å; L281-V315 HydrophobicContact CD2-CG1 4.24Å; L281-V315 HydrophobicContact CD2-CG2 3.95Å; Q313-V315 PolarHBondContact O-N 2.93Å; V315-C317 PolarHBondContact O-N 2.75Å; V315-I396 HydrophobicContact CG1-CD1 4.12Å
316	K	93.5	Very high	94.9	Very high	57 Å²	57	31.5 Å²	31.5	25%	0.248	16%	0.158	C	C	.	.	S	Bend	trans	-72.4	72	175.7	-72.5	-59.9	-170	178.6	0	110.7	P187 D217 E219 A220 D223 R402	P187-K316 HydrophobicContact CG-CB 4Å; P187-K316 HydrophobicContact CG-CG 4.28Å; D217-K316 WeakPolarHBondContact OD2-CG 3.44Å; D217-K316 PolarHBondContact OD2-N 3.24Å; E219-K316 HydrophobicContact CB-CG 4.38Å; E219-K316 VanDerWaalsContact OE1-CE 3.3Å; E219-K316 WeakPolarHBondContact OE1-CE 3.47Å; A220-K316 HydrophobicContact CB-CD 4.21Å; A220-K316 HydrophobicContact CB-CG 4.21Å; D223-K316 IonicContact OD2-NZ 3.56Å; D223-K316 PolarHBondContact OD2-NZ 2.9Å; K316-R402 VanDerWaalsContact O-CZ 3.23Å; K316-R402 PolarHBondContact O-NH1 2.83Å; K316-R402 PolarHBondContact O-NH2 2.97Å
317	C	91.5	Very high	94.8	Very high	10 Å²	10	28.8 Å²	28.8	7%	0.068	15%	0.145	C	C	.	.	S	Bend	trans	-142.4	149.3	166.4	51.2	0	0	0	0	108.2	L281 V315 P319 A395 E398	L281-C317 WeakPolarHBondContact CD1-SG 3.23Å; V315-C317 PolarHBondContact O-N 2.75Å; C317-P319 VanDerWaalsContact O-CD 3.31Å; C317-P319 WeakPolarHBondContact O-CD 3.31Å; C317-A395 WeakPolarHBondContact CB-O 3.49Å; C317-E398 HydrophobicContact CB-CB 4.5Å
318	D	93.4	Very high	94.7	Very high	25 Å²	25	28.9 Å²	28.9	13%	0.134	15%	0.146	C	C	.	.			trans	-92.8	109.7	176.4	-166.9	-22.9	0	0	0	109.5	R320 H321 A395 E398	D318-R320 VanDerWaalsContact CG-NE 3.33Å; D318-R320 PolarHBondContact O-N 3.44Å; D318-R320 WeakPolarHBondContact OD1-CB 3.27Å; D318-R320 VanDerWaalsContact OD1-CG 3.26Å; D318-R320 WeakPolarHBondContact OD1-CG 3.06Å; D318-R320 IonicContact OD1-CZ 3.71Å; D318-R320 PolarHBondContact OD1-N 2.74Å; D318-R320 IonicContact OD1-NE 2.76Å; D318-R320 PolarHBondContact OD1-NE 2.97Å; D318-R320 IonicContact OD1-NH2 3.88Å; D318-R320 IonicContact OD2-CZ 3.34Å; D318-R320 IonicContact OD2-NE 3.97Å; D318-R320 PolarHBondContact OD2-NE 3.24Å; D318-R320 IonicContact OD2-NH2 2.82Å; D318-R320 PolarHBondContact OD2-NH2 3.44Å; D318-H321 PolarHBondContact O-N 2.75Å; D318-H321 IonicContact OD2-CE1 2.75Å; D318-H321 IonicContact OD2-NE2 3.91Å; D318-A395 WeakPolarHBondContact O-CB 3.29Å; D318-E398 PolarHBondContact N-OE2 2.79Å
319	P	93.8	Very high	94.7	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.026	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-62.4	-12.7	-179.8	25.9	-34.5	0	0	0	113.1	P310 Q313 C317 H321 G322 Y324	P310-P319 HydrophobicContact CB-CG 4.37Å; P310-P319 HydrophobicContact CG-CG 4.18Å; Q313-P319 HydrophobicContact CG-CG 3.97Å; C317-P319 VanDerWaalsContact O-CD 3.31Å; C317-P319 WeakPolarHBondContact O-CD 3.31Å; P319-H321 VanDerWaalsContact C-N 3.3Å; P319-G322 PolarHBondContact O-N 2.93Å; P319-Y324 HydrophobicContact CB-CE1 4.46Å; P319-Y324 HydrophobicContact CB-CE2 4.28Å; P319-Y324 VanDerWaalsContact CB-OH 3.22Å; P319-Y324 WeakPolarHBondContact CB-OH 3.22Å
320	R	93.4	Very high	94.7	Very high	146 Å²	146	25.3 Å²	25.3	55%	0.551	13%	0.128	S	C	*	.	G	3₁₀ helix	trans	-75.7	-18.1	174.4	-58.1	173.4	-68.3	-173.7	-1.1	113.2	P310 D318 G322	P310-R320 HydrophobicContact CG-CG 4.15Å; D318-R320 VanDerWaalsContact CG-NE 3.33Å; D318-R320 PolarHBondContact O-N 3.44Å; D318-R320 WeakPolarHBondContact OD1-CB 3.27Å; D318-R320 VanDerWaalsContact OD1-CG 3.26Å; D318-R320 WeakPolarHBondContact OD1-CG 3.06Å; D318-R320 IonicContact OD1-CZ 3.71Å; D318-R320 PolarHBondContact OD1-N 2.74Å; D318-R320 IonicContact OD1-NE 2.76Å; D318-R320 PolarHBondContact OD1-NE 2.97Å; D318-R320 IonicContact OD1-NH2 3.88Å; D318-R320 IonicContact OD2-CZ 3.34Å; D318-R320 IonicContact OD2-NE 3.97Å; D318-R320 PolarHBondContact OD2-NE 3.24Å; D318-R320 IonicContact OD2-NH2 2.82Å; D318-R320 PolarHBondContact OD2-NH2 3.44Å; R320-G322 VanDerWaalsContact C-N 3.28Å
321	H	93.6	Very high	94.8	Very high	131 Å²	131	23.6 Å²	23.6	61%	0.606	12%	0.117	S	C	*	.	G	3₁₀ helix	trans	-88.3	1.5	175.6	-59.5	165.1	0	0	0	112.6	D318 P319 E398	D318-H321 PolarHBondContact O-N 2.75Å; D318-H321 IonicContact OD2-CE1 2.75Å; D318-H321 IonicContact OD2-NE2 3.91Å; P319-H321 VanDerWaalsContact C-N 3.3Å; H321-E398 WeakPolarHBondContact CB-OE1 3.22Å; H321-E398 IonicContact CE1-OE1 2.62Å; H321-E398 IonicContact CG-OE1 3.49Å; H321-E398 IonicContact ND1-OE1 3.19Å; H321-E398 PolarHBondContact ND1-OE1 3.28Å
322	G	93.7	Very high	94.8	Very high	7 Å²	7	21.6 Å²	21.6	7%	0.072	10%	0.099	C	C	.	.	S	Bend	trans	-136.2	-169.9	174.7	0	0	0	0	0	112	P319 R320 T394	P319-G322 PolarHBondContact O-N 2.93Å; R320-G322 VanDerWaalsContact C-N 3.28Å; G322-T394 VanDerWaalsContact CA-OG1 3.24Å; G322-T394 WeakPolarHBondContact CA-OG1 3.04Å
323	K	94.2	Very high	94.7	Very high	26 Å²	26	21.2 Å²	21.2	11%	0.113	10%	0.098	C	C	.	.			trans	-120.4	144.8	176	-64	178.6	-176.1	166.5	0	109.3	Q354 V356 T393 T394 G448 D450	K323-Q354 WeakPolarHBondContact CA-O 3.45Å; K323-Q354 HydrophobicContact CG-CB 4.06Å; K323-V356 HydrophobicContact CB-CG1 3.81Å; K323-V356 HydrophobicContact CD-CG1 4.36Å; K323-T393 CarbonylContact O-C 3.57Å; K323-T393 WeakPolarHBondContact O-CA 3.45Å; K323-T393 WeakPolarHBondContact O-CB 3.45Å; K323-T393 PolarHBondContact O-OG1 2.92Å; K323-T394 PolarHBondContact N-OG1 3.34Å; K323-T394 PolarHBondContact O-N 3.17Å; K323-G448 PolarHBondContact NZ-O 3.29Å; K323-D450 IonicContact NZ-OD1 2.67Å; K323-D450 PolarHBondContact NZ-OD1 3.27Å; K323-D450 IonicContact NZ-OD2 2.77Å; K323-D450 PolarHBondContact NZ-OD2 3.06Å
324	Y	94.8	Very high	94.6	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	126.7	171	-69.8	-79.7	0	0	0	109.5	F308 P319 V327 I353 Q354 F355 V356 M389	F308-Y324 HydrophobicContact CD1-CE2 4.03Å; F308-Y324 AromaticContact CD1-CZ 3.86Å; F308-Y324 HydrophobicContact CE1-CE1 4.35Å; F308-Y324 HydrophobicContact CE1-CE2 4.11Å; F308-Y324 AromaticContact CE1-CZ 3.99Å; P319-Y324 HydrophobicContact CB-CE1 4.46Å; P319-Y324 HydrophobicContact CB-CE2 4.28Å; P319-Y324 VanDerWaalsContact CB-OH 3.22Å; P319-Y324 WeakPolarHBondContact CB-OH 3.22Å; Y324-V327 HydrophobicContact CD1-CG2 3.83Å; Y324-V327 HydrophobicContact CG-CG2 4.15Å; Y324-I353 HydrophobicContact CD2-CG2 3.82Å; Y324-I353 HydrophobicContact CE2-CG2 3.76Å; Y324-Q354 WeakPolarHBondContact CD2-O 3.14Å; Y324-Q354 PolarHBondContact N-O 3.27Å; Y324-F355 HydrophobicContact CD2-CZ 4.49Å; Y324-F355 HydrophobicContact CG-CE1 4.31Å; Y324-F355 HydrophobicContact CG-CZ 4.44Å; Y324-F355 VanDerWaalsContact O-CA 3.29Å; Y324-F355 WeakPolarHBondContact O-CA 3.25Å; Y324-V356 PolarHBondContact O-N 3.34Å; Y324-M389 HydrophobicContact CE1-CE 4.48Å
325	M	94.3	Very high	94.6	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-35.1	174.7	-66.3	177.6	-78.3	0	0	111.5	P273 I277 V356 W358 C359 N392 T394 Y444 V447	P273-M325 HydrophobicContact CG-SD 4.23Å; I277-M325 HydrophobicContact CG2-CE 3.64Å; I277-M325 HydrophobicContact CG2-SD 4.01Å; M325-V356 HydrophobicContact CB-CG2 4.47Å; M325-V356 HydrophobicContact CG-CG1 3.8Å; M325-V356 HydrophobicContact CG-CG2 4.34Å; M325-W358 HydrophobicContact CB-CH2 3.85Å; M325-W358 HydrophobicContact CB-CZ2 4.25Å; M325-W358 HydrophobicContact CG-CH2 4.01Å; M325-W358 HydrophobicContact CG-CZ2 3.9Å; M325-W358 HydrophobicContact SD-CZ2 4.34Å; M325-C359 PolarHBondContact O-SG 3.03Å; M325-N392 HydrophobicContact CE-CB 4.32Å; M325-N392 WeakPolarHBondContact CE-OD1 3.39Å; M325-N392 PolarHBondContact N-O 3.2Å; M325-T394 HydrophobicContact CE-CG2 4.09Å; M325-T394 HydrophobicContact CG-CG2 4.35Å; M325-T394 HydrophobicContact SD-CG2 4.12Å; M325-Y444 HydrophobicContact CE-CD1 3.77Å; M325-Y444 HydrophobicContact CE-CE1 3.54Å; M325-V447 HydrophobicContact CG-CG1 4.16Å; M325-V447 HydrophobicContact SD-CB 4.33Å; M325-V447 HydrophobicContact SD-CG1 3.36Å; M325-V447 WeakPolarHBondContact SD-CG1 3.3Å
326	A	94.2	Very high	94.5	Very high	8 Å²	8	28.9 Å²	28.9	7%	0.066	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	144.9	176.4	0	0	0	0	0	109.9	N270 L271 S391 N392	N270-A326 VanDerWaalsContact O-CB 3.31Å; N270-A326 WeakPolarHBondContact O-CB 3.37Å; L271-A326 HydrophobicContact CD2-CB 4.18Å; A326-S391 CarbonylContact O-C 3.48Å; A326-S391 VanDerWaalsContact O-CA 3.23Å; A326-S391 WeakPolarHBondContact O-CA 3.49Å; A326-N392 HydrophobicContact CB-CB 4.38Å; A326-N392 PolarHBondContact N-O 3.42Å; A326-N392 PolarHBondContact O-N 2.86Å
327	V	95.2	Very high	94.5	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128.6	176.1	177.5	0	0	0	0	108.9	F308 Y324 L329 F355 G362 F363 K364 M389 L390	F308-V327 HydrophobicContact CE1-CG2 4.43Å; F308-V327 HydrophobicContact CZ-CG1 4.04Å; F308-V327 HydrophobicContact CZ-CG2 4.41Å; Y324-V327 HydrophobicContact CD1-CG2 3.83Å; Y324-V327 HydrophobicContact CG-CG2 4.15Å; V327-L329 HydrophobicContact CG1-CD2 4.21Å; V327-L329 HydrophobicContact CG1-CG 4.13Å; V327-F355 HydrophobicContact CG2-CE1 3.74Å; V327-F355 HydrophobicContact CG2-CZ 4.1Å; V327-G362 PolarHBondContact N-O 3.14Å; V327-F363 HydrophobicContact CB-CD1 4.09Å; V327-F363 HydrophobicContact CB-CE1 4.2Å; V327-F363 HydrophobicContact CG1-CD1 3.87Å; V327-F363 HydrophobicContact CG1-CE1 3.87Å; V327-F363 CarbonylContact O-C 3.22Å; V327-F363 VanDerWaalsContact O-CA 3.23Å; V327-F363 WeakPolarHBondContact O-CA 3.07Å; V327-K364 PolarHBondContact O-N 2.94Å; V327-M389 HydrophobicContact CG1-CG 3.79Å; V327-M389 HydrophobicContact CG1-SD 3.89Å; V327-L390 CarbonylContact C-O 3.45Å; V327-L390 WeakPolarHBondContact CA-O 3.48Å
328	C	94.8	Very high	94.8	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.5	170.2	-170.7	0	0	0	0	109.3	L271 K364 M389 L390	L271-C328 HydrophobicContact CD1-CB 4.46Å; L271-C328 HydrophobicContact CD2-CB 3.8Å; L271-C328 HydrophobicContact CG-CB 4.36Å; C328-K364 CarbonylContact C-O 3.6Å; C328-K364 WeakPolarHBondContact CA-O 3.26Å; C328-K364 HydrophobicContact CB-CB 4.29Å; C328-M389 CarbonylContact O-C 3.38Å; C328-M389 WeakPolarHBondContact O-CA 3.31Å; C328-L390 HydrophobicContact CB-CB 4.26Å; C328-L390 PolarHBondContact N-O 3.06Å; C328-L390 PolarHBondContact O-N 2.81Å
329	L	96.1	Very high	94.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	111.2	177.8	-63.6	170.5	0	0	0	109.5	T304 V327 Y331 I344 F363 K364 V365 G366 V387 M389	T304-L329 HydrophobicContact CG2-CD1 4.17Å; V327-L329 HydrophobicContact CG1-CD2 4.21Å; V327-L329 HydrophobicContact CG1-CG 4.13Å; L329-Y331 HydrophobicContact CB-CD2 4.25Å; L329-Y331 HydrophobicContact CB-CE2 3.56Å; L329-Y331 HydrophobicContact CD1-CE2 4.3Å; L329-I344 HydrophobicContact CD1-CD1 4.16Å; L329-I344 HydrophobicContact CD1-CG1 3.91Å; L329-F363 HydrophobicContact CD1-CD1 3.73Å; L329-F363 HydrophobicContact CD1-CE1 4Å; L329-F363 HydrophobicContact CG-CD1 4.33Å; L329-K364 PolarHBondContact N-O 2.98Å; L329-V365 WeakPolarHBondContact O-CA 3.48Å; L329-G366 PolarHBondContact O-N 2.95Å; L329-V387 HydrophobicContact CB-CG2 4.19Å; L329-V387 HydrophobicContact CD2-CG2 4.04Å; L329-M389 HydrophobicContact CD2-CB 3.87Å; L329-M389 HydrophobicContact CD2-CG 3.73Å; L329-M389 HydrophobicContact CD2-SD 4.1Å
330	L	96.1	Very high	95.1	Very high	9 Å²	9	39.1 Å²	39.1	5%	0.047	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	95.2	-178.5	-56.1	177.4	0	0	0	109.4	I250 V262 F267 V387 C388 L390	I250-L330 HydrophobicContact CB-CD1 4.41Å; I250-L330 HydrophobicContact CG1-CD1 4.01Å; V262-L330 HydrophobicContact CG2-CD2 4.25Å; F267-L330 HydrophobicContact CE1-CD1 4.03Å; F267-L330 HydrophobicContact CE1-CD2 4.35Å; F267-L330 HydrophobicContact CZ-CD1 4.13Å; L330-V387 WeakPolarHBondContact O-CA 3.26Å; L330-C388 HydrophobicContact CB-CB 4.25Å; L330-C388 PolarHBondContact N-O 3.3Å; L330-C388 PolarHBondContact O-N 3.48Å; L330-L390 HydrophobicContact CD1-CD1 3.95Å; L330-L390 HydrophobicContact CD1-CG 4.44Å
331	Y	97.3	Very high	95.2	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	143.2	179.3	-66.5	-87.5	0	0	0	111.7	V300 I303 T304 L329 V335 V340 V365 G366 I367 N368 A386 V387	V300-Y331 HydrophobicContact CG1-CD1 4.42Å; V300-Y331 HydrophobicContact CG1-CE1 3.75Å; I303-Y331 HydrophobicContact CD1-CD1 4.36Å; I303-Y331 HydrophobicContact CD1-CE1 4.4Å; T304-Y331 PolarHBondContact OG1-OH 2.88Å; L329-Y331 HydrophobicContact CB-CD2 4.25Å; L329-Y331 HydrophobicContact CB-CE2 3.56Å; L329-Y331 HydrophobicContact CD1-CE2 4.3Å; Y331-V335 HydrophobicContact CD1-CG1 3.88Å; Y331-V335 HydrophobicContact CD1-CG2 4.12Å; Y331-V335 HydrophobicContact CG-CG1 3.86Å; Y331-V335 HydrophobicContact CG-CG2 4.45Å; Y331-V340 HydrophobicContact CD2-CG1 4.25Å; Y331-V340 HydrophobicContact CD2-CG2 3.91Å; Y331-V340 HydrophobicContact CE1-CG2 4.36Å; Y331-V340 HydrophobicContact CE2-CB 4.22Å; Y331-V340 HydrophobicContact CE2-CG1 3.46Å; Y331-V340 VanDerWaalsContact CE2-CG1 3.46Å; Y331-V340 HydrophobicContact CE2-CG2 3.72Å; Y331-V340 HydrophobicContact CG-CG2 4.3Å; Y331-V365 HydrophobicContact CD2-CG1 4.12Å; Y331-V365 HydrophobicContact CE2-CG1 4.23Å; Y331-G366 PolarHBondContact N-O 3.04Å; Y331-I367 HydrophobicContact CD2-CG1 4.45Å; Y331-N368 PolarHBondContact O-N 3.46Å; Y331-A386 CarbonylContact C-O 3.59Å; Y331-A386 WeakPolarHBondContact CA-O 3.16Å; Y331-V387 HydrophobicContact CD1-CB 3.63Å; Y331-V387 HydrophobicContact CD1-CG2 3.84Å; Y331-V387 HydrophobicContact CD2-CG2 4.38Å; Y331-V387 HydrophobicContact CE1-CB 3.67Å; Y331-V387 HydrophobicContact CE1-CG1 4.27Å; Y331-V387 HydrophobicContact CE1-CG2 3.66Å; Y331-V387 HydrophobicContact CE2-CG2 4.23Å; Y331-V387 HydrophobicContact CG-CB 4.32Å; Y331-V387 HydrophobicContact CG-CG2 4.2Å
332	R	95.7	Very high	95.4	Very high	2 Å²	2	34 Å²	34	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.9	173.8	-62.1	-64	-55.5	-110.6	-9.4	109.2	E39 S248 N368 Q370 P372 R385 A386	E39-R332 IonicContact OE1-NH2 2.82Å; S248-R332 PolarHBondContact O-NH1 3.11Å; S248-R332 VanDerWaalsContact O-NH1 3.1Å; S248-R332 PolarHBondContact OG-NH1 3.34Å; R332-N368 CarbonylContact C-O 3.03Å; R332-N368 WeakPolarHBondContact CA-O 3.47Å; R332-Q370 PolarHBondContact NE-O 3.21Å; R332-Q370 PolarHBondContact NH2-O 3.29Å; R332-Q370 VanDerWaalsContact NH2-O 3.11Å; R332-P372 HydrophobicContact CB-CG 3.9Å; R332-P372 HydrophobicContact CG-CG 4.47Å; R332-R385 CarbonylContact O-C 3.55Å; R332-R385 WeakPolarHBondContact O-CA 3.45Å; R332-R385 WeakPolarHBondContact O-CB 3.24Å; R332-A386 PolarHBondContact N-O 3.35Å; R332-A386 PolarHBondContact O-N 3.14Å
333	G	95.1	Very high	95.5	Very high	2 Å²	2	34 Å²	34	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92	-146.8	170.2	0	0	0	0	0	115	V335 N368 Y369 Q370 P384	G333-V335 PolarHBondContact O-N 2.58Å; G333-N368 PolarHBondContact N-O 3.19Å; G333-Y369 WeakPolarHBondContact CA-O 3.3Å; G333-Q370 PolarHBondContact N-O 2.91Å; G333-P384 WeakPolarHBondContact CA-O 3.27Å
334	D	94.3	Very high	95.6	Very high	88 Å²	88	33.4 Å²	33.4	47%	0.471	19%	0.188	S	C	.	.	S	Bend	trans	-78.5	68.7	-172.9	70	-26.7	0	0	0	112.7	P384 R385	D334-P384 PolarHBondContact N-O 3.18Å; D334-P384 VanDerWaalsContact OD1-O 3.12Å; D334-R385 PolarHBondContact O-NE 3.26Å; D334-R385 WeakPolarHBondContact OD1-CB 2.84Å; D334-R385 IonicContact OD1-CZ 2.73Å; D334-R385 IonicContact OD1-NE 3.38Å; D334-R385 PolarHBondContact OD1-NE 2.85Å; D334-R385 IonicContact OD1-NH2 3.43Å; D334-R385 PolarHBondContact OD1-NH2 3.13Å; D334-R385 IonicContact OD2-CZ 3.95Å; D334-R385 IonicContact OD2-NE 3.55Å; D334-R385 IonicContact OD2-NH2 3.52Å; D334-R385 PolarHBondContact OD2-NH2 3.07Å
335	V	95.4	Very high	95.6	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.03	21%	0.209	C	C	.	.			trans	-118.1	129.3	-178.2	178.6	0	0	0	0	110.3	V300 Y331 G333 V340 I367 R385	V300-V335 HydrophobicContact CG1-CG1 4.31Å; V300-V335 HydrophobicContact CG2-CB 4.45Å; V300-V335 HydrophobicContact CG2-CG1 3.95Å; V300-V335 HydrophobicContact CG2-CG2 4.17Å; Y331-V335 HydrophobicContact CD1-CG1 3.88Å; Y331-V335 HydrophobicContact CD1-CG2 4.12Å; Y331-V335 HydrophobicContact CG-CG1 3.86Å; Y331-V335 HydrophobicContact CG-CG2 4.45Å; G333-V335 PolarHBondContact O-N 2.58Å; V335-V340 HydrophobicContact CG1-CG2 3.37Å; V335-I367 HydrophobicContact CB-CG2 4.32Å; V335-R385 HydrophobicContact CG2-CB 3.86Å
336	V	93.9	Very high	95.7	Very high	75 Å²	75	38.3 Å²	38.3	46%	0.455	23%	0.226	S	C	.	.			trans	-107.6	142.6	176.8	-64	0	0	0	0	111.4	K338 D339 V340	V336-K338 PolarHBondContact O-N 3.19Å; V336-D339 HydrophobicContact CG2-CB 4.05Å; V336-D339 VanDerWaalsContact CG2-OD2 3.23Å; V336-D339 WeakPolarHBondContact CG2-OD2 3.39Å; V336-D339 PolarHBondContact O-N 3.05Å; V336-V340 PolarHBondContact O-N 2.96Å
337	P	94.3	Very high	95.7	Very high	67 Å²	67	37.9 Å²	37.9	44%	0.435	22%	0.223	S	C	.	.	H	α-helix	trans	-55.1	-31.9	-177.1	-27.7	32.8	0	0	0	114.8	D339 V340 N341 I367	P337-D339 VanDerWaalsContact C-N 3.35Å; P337-D339 PolarHBondContact O-N 3.34Å; P337-V340 PolarHBondContact O-N 2.9Å; P337-N341 PolarHBondContact O-N 2.62Å; P337-N341 PolarHBondContact O-ND2 2.96Å; P337-N341 VanDerWaalsContact O-ND2 3.15Å; P337-I367 HydrophobicContact CB-CD1 4.32Å; P337-I367 HydrophobicContact CG-CD1 3.9Å
338	K	96.5	Very high	95.5	Very high	166 Å²	166	42.7 Å²	42.7	72%	0.722	24%	0.243	S	C	*	.	H	α-helix	trans	-59.6	-45	177.9	-178.4	-175.9	172.9	-172.1	0	111.9	V336 N341 A342	V336-K338 PolarHBondContact O-N 3.19Å; K338-N341 PolarHBondContact O-N 3.42Å; K338-A342 PolarHBondContact O-N 2.91Å; K338-A342 VanDerWaalsContact O-N 3.09Å
339	D	97	Very high	95.4	Very high	76 Å²	76	47.9 Å²	47.9	41%	0.406	28%	0.275	S	S	.	.	H	α-helix	trans	-74.1	-34	-176.7	-64.5	-13.6	0	0	0	110.6	V300 V336 P337 A342 A343	V300-D339 HydrophobicContact CB-CB 3.96Å; V300-D339 HydrophobicContact CG1-CB 4.27Å; V300-D339 HydrophobicContact CG2-CB 3.94Å; V336-D339 HydrophobicContact CG2-CB 4.05Å; V336-D339 VanDerWaalsContact CG2-OD2 3.23Å; V336-D339 WeakPolarHBondContact CG2-OD2 3.39Å; V336-D339 PolarHBondContact O-N 3.05Å; P337-D339 VanDerWaalsContact C-N 3.35Å; P337-D339 PolarHBondContact O-N 3.34Å; D339-A342 PolarHBondContact O-N 3.37Å; D339-A343 WeakPolarHBondContact O-CB 3.4Å; D339-A343 PolarHBondContact O-N 2.76Å
340	V	96.6	Very high	95.3	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-47.3	172	178.5	0	0	0	0	111.1	V300 Y331 V335 V336 P337 A342 A343 I344 V365 I367	V300-V340 HydrophobicContact CG1-CG2 4Å; Y331-V340 HydrophobicContact CD2-CG1 4.25Å; Y331-V340 HydrophobicContact CD2-CG2 3.91Å; Y331-V340 HydrophobicContact CE1-CG2 4.36Å; Y331-V340 HydrophobicContact CE2-CB 4.22Å; Y331-V340 HydrophobicContact CE2-CG1 3.46Å; Y331-V340 VanDerWaalsContact CE2-CG1 3.46Å; Y331-V340 HydrophobicContact CE2-CG2 3.72Å; Y331-V340 HydrophobicContact CG-CG2 4.3Å; V335-V340 HydrophobicContact CG1-CG2 3.37Å; V336-V340 PolarHBondContact O-N 2.96Å; P337-V340 PolarHBondContact O-N 2.9Å; V340-A342 VanDerWaalsContact C-N 3.31Å; V340-A342 PolarHBondContact O-N 2.84Å; V340-A343 PolarHBondContact O-N 2.77Å; V340-I344 HydrophobicContact CG1-CD1 3.77Å; V340-I344 HydrophobicContact CG1-CG1 4.37Å; V340-I344 WeakPolarHBondContact O-CG1 3.48Å; V340-I344 PolarHBondContact O-N 3.48Å; V340-V365 HydrophobicContact CG1-CG1 3.78Å; V340-V365 HydrophobicContact CG1-CG2 3.88Å; V340-I367 HydrophobicContact CG2-CD1 4.11Å
341	N	95.4	Very high	95	Very high	107 Å²	107	62.2 Å²	62.2	57%	0.572	33%	0.33	S	S	*	.	H	α-helix	trans	-61.9	-39.1	177.8	-73.6	-35.2	0	0	0	112	P337 K338 A345	P337-N341 PolarHBondContact O-N 2.62Å; P337-N341 PolarHBondContact O-ND2 2.96Å; P337-N341 VanDerWaalsContact O-ND2 3.15Å; K338-N341 PolarHBondContact O-N 3.42Å; N341-A345 WeakPolarHBondContact O-CB 3.33Å; N341-A345 PolarHBondContact O-N 2.83Å
342	A	97.6	Very high	94.7	Very high	63 Å²	63	65.8 Å²	65.8	52%	0.521	36%	0.356	S	S	.	.	H	α-helix	trans	-65.5	-41.7	174.6	0	0	0	0	0	112.1	K338 D339 V340 A345 S346	K338-A342 PolarHBondContact O-N 2.91Å; K338-A342 VanDerWaalsContact O-N 3.09Å; D339-A342 PolarHBondContact O-N 3.37Å; V340-A342 VanDerWaalsContact C-N 3.31Å; V340-A342 PolarHBondContact O-N 2.84Å; A342-A345 PolarHBondContact O-N 2.88Å; A342-S346 PolarHBondContact O-N 3.26Å
343	A	97.2	Very high	94.5	Very high	5 Å²	5	66.5 Å²	66.5	4%	0.041	36%	0.36	C	S	.	.	H	α-helix	trans	-62.7	-47.4	176.3	0	0	0	0	0	111.5	V300 T304 D339 V340 A345 S346 I347	V300-A343 HydrophobicContact CG1-CB 4.3Å; T304-A343 HydrophobicContact CG2-CB 4.15Å; D339-A343 WeakPolarHBondContact O-CB 3.4Å; D339-A343 PolarHBondContact O-N 2.76Å; V340-A343 PolarHBondContact O-N 2.77Å; A343-A345 PolarHBondContact O-N 3.24Å; A343-S346 CarbonylContact O-C 3.51Å; A343-S346 WeakPolarHBondContact O-CB 3.5Å; A343-S346 PolarHBondContact O-N 3.45Å; A343-S346 VanDerWaalsContact O-N 3.11Å; A343-I347 WeakPolarHBondContact O-CG1 3.37Å; A343-I347 PolarHBondContact O-N 2.98Å
344	I	95.7	Very high	94.4	Very high	15 Å²	15	71.2 Å²	71.2	8%	0.077	38%	0.381	C	S	.	.	H	α-helix	trans	-61.4	-43.8	176.8	-68.1	169.1	0	0	0	110.9	L329 V340 S346 I347 K348 F363 V365	L329-I344 HydrophobicContact CD1-CD1 4.16Å; L329-I344 HydrophobicContact CD1-CG1 3.91Å; V340-I344 HydrophobicContact CG1-CD1 3.77Å; V340-I344 HydrophobicContact CG1-CG1 4.37Å; V340-I344 WeakPolarHBondContact O-CG1 3.48Å; V340-I344 PolarHBondContact O-N 3.48Å; I344-S346 PolarHBondContact O-N 3.12Å; I344-I347 PolarHBondContact O-N 3.24Å; I344-I347 VanDerWaalsContact O-N 3.09Å; I344-K348 HydrophobicContact CG2-CD 4.38Å; I344-K348 HydrophobicContact CG2-CG 4.49Å; I344-K348 WeakPolarHBondContact O-CG 3.41Å; I344-K348 PolarHBondContact O-N 2.95Å; I344-F363 HydrophobicContact CD1-CB 4.21Å; I344-F363 HydrophobicContact CD1-CD1 4.25Å; I344-F363 HydrophobicContact CD1-CG 4.4Å; I344-F363 HydrophobicContact CG1-CD1 4.05Å; I344-F363 HydrophobicContact CG1-CE1 4.39Å; I344-F363 HydrophobicContact CG1-CG 4.44Å; I344-F363 HydrophobicContact CG2-CB 4.38Å; I344-F363 HydrophobicContact CG2-CD1 4.16Å; I344-F363 HydrophobicContact CG2-CD2 3.9Å; I344-F363 HydrophobicContact CG2-CE1 4.39Å; I344-F363 HydrophobicContact CG2-CE2 4.16Å; I344-F363 HydrophobicContact CG2-CG 3.88Å; I344-F363 HydrophobicContact CG2-CZ 4.39Å; I344-V365 HydrophobicContact CD1-CG2 3.55Å
345	A	94.9	Very high	94.3	Very high	55 Å²	55	69.3 Å²	69.3	46%	0.455	37%	0.369	S	S	.	.	H	α-helix	trans	-58.5	-39.3	175.5	0	0	0	0	0	111.5	N341 A342 A343 T349	N341-A345 WeakPolarHBondContact O-CB 3.33Å; N341-A345 PolarHBondContact O-N 2.83Å; A342-A345 PolarHBondContact O-N 2.88Å; A343-A345 PolarHBondContact O-N 3.24Å; A345-T349 WeakPolarHBondContact O-CG2 3.05Å
346	S	95.6	Very high	94.1	Very high	53 Å²	53	69.3 Å²	69.3	37%	0.371	37%	0.368	S	S	.	.	H	α-helix	trans	-68.6	-34.2	174.3	-174	0	0	0	0	113.4	A342 A343 I344 T349	A342-S346 PolarHBondContact O-N 3.26Å; A343-S346 CarbonylContact O-C 3.51Å; A343-S346 WeakPolarHBondContact O-CB 3.5Å; A343-S346 PolarHBondContact O-N 3.45Å; A343-S346 VanDerWaalsContact O-N 3.11Å; I344-S346 PolarHBondContact O-N 3.12Å; S346-T349 PolarHBondContact O-OG1 3.29Å
347	I	94.6	Very high	93.9	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-66.2	-43.5	175.9	-70.6	-61.1	0	0	0	110.5	T304 N305 F308 A343 I344 T349 K350 I353 F363	T304-I347 HydrophobicContact CG2-CD1 4.43Å; T304-I347 HydrophobicContact CG2-CG1 3.92Å; N305-I347 WeakPolarHBondContact OD1-CD1 3.45Å; F308-I347 HydrophobicContact CB-CD1 4.46Å; F308-I347 HydrophobicContact CD1-CG2 4.45Å; F308-I347 HydrophobicContact CD2-CD1 3.55Å; F308-I347 HydrophobicContact CD2-CG1 4.01Å; F308-I347 HydrophobicContact CD2-CG2 4.14Å; F308-I347 HydrophobicContact CE1-CG2 4.12Å; F308-I347 HydrophobicContact CE2-CB 4.49Å; F308-I347 HydrophobicContact CE2-CD1 4.04Å; F308-I347 HydrophobicContact CE2-CG1 3.95Å; F308-I347 HydrophobicContact CE2-CG2 3.81Å; F308-I347 HydrophobicContact CG-CD1 4.14Å; F308-I347 HydrophobicContact CG-CG2 4.45Å; F308-I347 HydrophobicContact CZ-CG2 3.79Å; A343-I347 WeakPolarHBondContact O-CG1 3.37Å; A343-I347 PolarHBondContact O-N 2.98Å; I344-I347 PolarHBondContact O-N 3.24Å; I344-I347 VanDerWaalsContact O-N 3.09Å; I347-T349 PolarHBondContact O-N 3.46Å; I347-T349 VanDerWaalsContact O-N 3.11Å; I347-K350 HydrophobicContact CD1-CD 4.29Å; I347-K350 WeakPolarHBondContact O-CB 3.47Å; I347-K350 PolarHBondContact O-N 3.4Å; I347-I353 HydrophobicContact CD1-CD1 4.03Å; I347-I353 HydrophobicContact CG2-CD1 3.78Å; I347-I353 HydrophobicContact CG2-CG2 4.24Å; I347-F363 HydrophobicContact CB-CZ 4.43Å; I347-F363 HydrophobicContact CG2-CE1 4.34Å; I347-F363 HydrophobicContact CG2-CZ 3.7Å
348	K	92	Very high	93.5	Very high	104 Å²	104	70.5 Å²	70.5	45%	0.452	36%	0.361	S	S	.	.	H	α-helix	trans	-62.4	-18.4	-179.9	-70.6	-174.2	177.6	-163.2	0	114.3	I344 F363	I344-K348 HydrophobicContact CG2-CD 4.38Å; I344-K348 HydrophobicContact CG2-CG 4.49Å; I344-K348 WeakPolarHBondContact O-CG 3.41Å; I344-K348 PolarHBondContact O-N 2.95Å; K348-F363 HydrophobicContact CG-CE2 4.12Å
349	T	92.8	Very high	92.7	Very high	110 Å²	110	63.7 Å²	63.7	68%	0.675	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-10.3	176.1	63.9	0	0	0	0	113.6	A345 S346 I347 R351	A345-T349 WeakPolarHBondContact O-CG2 3.05Å; S346-T349 PolarHBondContact O-OG1 3.29Å; I347-T349 PolarHBondContact O-N 3.46Å; I347-T349 VanDerWaalsContact O-N 3.11Å; T349-R351 PolarHBondContact O-N 3.09Å
350	K	93.4	Very high	91	Very high	74 Å²	74	64.9 Å²	64.9	32%	0.322	35%	0.346	S	S	.	.			trans	-80.9	113	-178.7	-69.2	-178	167.8	-173	0	110.9	N305 I347 S352 I353	N305-K350 VanDerWaalsContact OD1-CE 3.28Å; N305-K350 WeakPolarHBondContact OD1-CE 3.23Å; N305-K350 PolarHBondContact OD1-NZ 3.25Å; I347-K350 HydrophobicContact CD1-CD 4.29Å; I347-K350 WeakPolarHBondContact O-CB 3.47Å; I347-K350 PolarHBondContact O-N 3.4Å; K350-S352 PolarHBondContact O-N 3.24Å; K350-S352 VanDerWaalsContact O-N 3.14Å; K350-I353 HydrophobicContact CB-CB 4.49Å; K350-I353 HydrophobicContact CB-CD1 3.96Å; K350-I353 HydrophobicContact CB-CG1 4.15Å; K350-I353 HydrophobicContact CD-CD1 3.74Å; K350-I353 HydrophobicContact CG-CD1 4.47Å; K350-I353 PolarHBondContact O-N 3.46Å
351	R	90.1	Very high	89.5	Confident	236 Å²	236	69.9 Å²	69.9	89%	0.891	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22	178.6	-63.4	-175.6	179.7	-171.1	-1.8	114.8	T349 I353	T349-R351 PolarHBondContact O-N 3.09Å; R351-I353 PolarHBondContact O-N 3.15Å
352	S	90.1	Very high	88.6	Confident	76 Å²	76	65.4 Å²	65.4	53%	0.531	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-7.4	177	60.8	0	0	0	0	113.5	K350	K350-S352 PolarHBondContact O-N 3.24Å; K350-S352 VanDerWaalsContact O-N 3.14Å
353	I	92.4	Very high	88.2	Confident	18 Å²	18	64 Å²	64	9%	0.092	34%	0.338	C	S	.	.	S	Bend	trans	-114.6	104.1	-179.6	-57.2	175.3	0	0	0	106.2	F308 Y324 I347 K350 R351 F355	F308-I353 HydrophobicContact CB-CD1 3.63Å; F308-I353 HydrophobicContact CB-CG1 4.42Å; F308-I353 HydrophobicContact CD1-CD1 3.71Å; F308-I353 HydrophobicContact CD1-CG1 4.22Å; F308-I353 HydrophobicContact CD1-CG2 3.8Å; F308-I353 HydrophobicContact CD2-CD1 4.47Å; F308-I353 HydrophobicContact CE1-CD1 4.5Å; F308-I353 HydrophobicContact CE1-CG2 3.86Å; F308-I353 HydrophobicContact CG-CD1 3.69Å; Y324-I353 HydrophobicContact CD2-CG2 3.82Å; Y324-I353 HydrophobicContact CE2-CG2 3.76Å; I347-I353 HydrophobicContact CD1-CD1 4.03Å; I347-I353 HydrophobicContact CG2-CD1 3.78Å; I347-I353 HydrophobicContact CG2-CG2 4.24Å; K350-I353 HydrophobicContact CB-CB 4.49Å; K350-I353 HydrophobicContact CB-CD1 3.96Å; K350-I353 HydrophobicContact CB-CG1 4.15Å; K350-I353 HydrophobicContact CD-CD1 3.74Å; K350-I353 HydrophobicContact CG-CD1 4.47Å; K350-I353 PolarHBondContact O-N 3.46Å; R351-I353 PolarHBondContact O-N 3.15Å; I353-F355 HydrophobicContact CG2-CD2 4.37Å; I353-F355 HydrophobicContact CG2-CE2 3.59Å; I353-F355 HydrophobicContact CG2-CZ 4.18Å
354	Q	92.1	Very high	88	Confident	101 Å²	101	66.7 Å²	66.7	47%	0.472	35%	0.349	S	S	.	.			trans	-103.2	136.9	-176.9	-62.6	-172.5	-9.4	0	0	110	K323 Y324	K323-Q354 WeakPolarHBondContact CA-O 3.45Å; K323-Q354 HydrophobicContact CG-CB 4.06Å; Y324-Q354 WeakPolarHBondContact CD2-O 3.14Å; Y324-Q354 PolarHBondContact N-O 3.27Å
355	F	92.5	Very high	87.9	Confident	48 Å²	48	67 Å²	67	21%	0.211	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-111.6	151.2	171.9	-71.2	-97.5	0	0	0	108.3	Y324 V327 I353 F363	Y324-F355 HydrophobicContact CD2-CZ 4.49Å; Y324-F355 HydrophobicContact CG-CE1 4.31Å; Y324-F355 HydrophobicContact CG-CZ 4.44Å; Y324-F355 VanDerWaalsContact O-CA 3.29Å; Y324-F355 WeakPolarHBondContact O-CA 3.25Å; V327-F355 HydrophobicContact CG2-CE1 3.74Å; V327-F355 HydrophobicContact CG2-CZ 4.1Å; I353-F355 HydrophobicContact CG2-CD2 4.37Å; I353-F355 HydrophobicContact CG2-CE2 3.59Å; I353-F355 HydrophobicContact CG2-CZ 4.18Å; F355-F363 HydrophobicContact CE1-CD2 4.44Å; F355-F363 AromaticContact CE1-CE2 3.79Å; F355-F363 HydrophobicContact CE1-CE2 3.79Å; F355-F363 HydrophobicContact CE1-CZ 4.14Å; F355-F363 AromaticContact CE2-CE2 3.94Å; F355-F363 HydrophobicContact CE2-CE2 3.94Å; F355-F363 HydrophobicContact CE2-CZ 4.09Å; F355-F363 HydrophobicContact CZ-CD2 4.34Å; F355-F363 HydrophobicContact CZ-CE1 4.42Å; F355-F363 AromaticContact CZ-CE2 3.3Å; F355-F363 HydrophobicContact CZ-CE2 3.3Å; F355-F363 AromaticContact CZ-CZ 3.37Å; F355-F363 HydrophobicContact CZ-CZ 3.37Å
356	V	92.1	Very high	87.8	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.024	33%	0.333	C	S	.	.			trans	-59.4	144.3	165.2	-61.6	0	0	0	0	110	K323 Y324 M325 W358 C359	K323-V356 HydrophobicContact CB-CG1 3.81Å; K323-V356 HydrophobicContact CD-CG1 4.36Å; Y324-V356 PolarHBondContact O-N 3.34Å; M325-V356 HydrophobicContact CB-CG2 4.47Å; M325-V356 HydrophobicContact CG-CG1 3.8Å; M325-V356 HydrophobicContact CG-CG2 4.34Å; V356-W358 VanDerWaalsContact C-N 3.35Å; V356-W358 HydrophobicContact CB-CD2 4.19Å; V356-W358 HydrophobicContact CB-CG 4.45Å; V356-W358 HydrophobicContact CB-CZ2 3.9Å; V356-W358 HydrophobicContact CG1-CZ2 4.03Å; V356-W358 HydrophobicContact CG2-CD2 3.63Å; V356-W358 HydrophobicContact CG2-CE3 3.93Å; V356-W358 HydrophobicContact CG2-CG 4.27Å; V356-W358 HydrophobicContact CG2-CH2 3.72Å; V356-W358 HydrophobicContact CG2-CZ2 3.37Å; V356-W358 HydrophobicContact CG2-CZ3 3.98Å; V356-W358 PolarHBondContact O-N 3.13Å; V356-C359 HydrophobicContact CG2-CB 3.4Å; V356-C359 PolarHBondContact O-N 3.39Å
357	D	88	Confident	87.7	Confident	61 Å²	61	62.3 Å²	62.3	33%	0.326	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-34.3	-174.3	59.2	-11.8	0	0	0	113.4	C359 S451	D357-C359 PolarHBondContact O-N 3Å; D357-S451 WeakPolarHBondContact OD2-CB 3.48Å; D357-S451 PolarHBondContact OD2-N 2.83Å; D357-S451 PolarHBondContact OD2-OG 3.04Å
358	W	87.5	Confident	87.6	Confident	106 Å²	106	62.5 Å²	62.5	40%	0.402	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-6.7	176.5	55.2	-101	0	0	0	113.7	P273 M325 V356 P360 V447	P273-W358 HydrophobicContact CB-CH2 3.89Å; P273-W358 HydrophobicContact CB-CZ3 4.27Å; P273-W358 HydrophobicContact CG-CH2 4.18Å; M325-W358 HydrophobicContact CB-CH2 3.85Å; M325-W358 HydrophobicContact CB-CZ2 4.25Å; M325-W358 HydrophobicContact CG-CH2 4.01Å; M325-W358 HydrophobicContact CG-CZ2 3.9Å; M325-W358 HydrophobicContact SD-CZ2 4.34Å; V356-W358 VanDerWaalsContact C-N 3.35Å; V356-W358 HydrophobicContact CB-CD2 4.19Å; V356-W358 HydrophobicContact CB-CG 4.45Å; V356-W358 HydrophobicContact CB-CZ2 3.9Å; V356-W358 HydrophobicContact CG1-CZ2 4.03Å; V356-W358 HydrophobicContact CG2-CD2 3.63Å; V356-W358 HydrophobicContact CG2-CE3 3.93Å; V356-W358 HydrophobicContact CG2-CG 4.27Å; V356-W358 HydrophobicContact CG2-CH2 3.72Å; V356-W358 HydrophobicContact CG2-CZ2 3.37Å; V356-W358 HydrophobicContact CG2-CZ3 3.98Å; V356-W358 PolarHBondContact O-N 3.13Å; W358-P360 WeakPolarHBondContact O-CD 3.24Å; W358-V447 HydrophobicContact CH2-CG1 4.34Å; W358-V447 HydrophobicContact CZ2-CG1 3.39Å; W358-V447 PolarHBondContact NE1-O 3.25Å
359	C	78.8	Confident	87.6	Confident	23 Å²	23	64.3 Å²	64.3	16%	0.155	32%	0.322	C	S	.	.			trans	-113.5	69.7	175.4	-163.7	0	0	0	0	112.8	M325 V356 D357 T361 G362	M325-C359 PolarHBondContact O-SG 3.03Å; V356-C359 HydrophobicContact CG2-CB 3.4Å; V356-C359 PolarHBondContact O-N 3.39Å; D357-C359 PolarHBondContact O-N 3Å; C359-T361 VanDerWaalsContact C-N 3.31Å; C359-T361 PolarHBondContact O-N 3.46Å; C359-G362 WeakPolarHBondContact SG-CA 3.45Å
360	P	60.8	Low	87.5	Confident	102 Å²	102	62.6 Å²	62.6	66%	0.662	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-26.7	-171.6	25.7	-35	0	0	0	114.1	W358	W358-P360 WeakPolarHBondContact O-CD 3.24Å
361	T	65.4	Low	87.6	Confident	107 Å²	107	61 Å²	61	66%	0.656	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	6.5	-172.8	52.5	0	0	0	0	114.4	C359 F363	C359-T361 VanDerWaalsContact C-N 3.31Å; C359-T361 PolarHBondContact O-N 3.46Å; T361-F363 PolarHBondContact O-N 2.69Å
362	G	76.5	Confident	87.8	Confident	13 Å²	13	50 Å²	50	13%	0.134	26%	0.262	C	S	.	.			trans	-45.4	27.9	-161.6	0	0	0	0	0	122.3	V327 C359	V327-G362 PolarHBondContact N-O 3.14Å; C359-G362 WeakPolarHBondContact SG-CA 3.45Å
363	F	90.4	Very high	88.1	Confident	32 Å²	32	47.9 Å²	47.9	14%	0.14	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.6	173.9	-72.9	-94.9	0	0	0	109.7	F308 V327 L329 I344 I347 K348 F355 T361	F308-F363 HydrophobicContact CE2-CE1 4.17Å; F308-F363 AromaticContact CZ-CE1 3.65Å; F308-F363 HydrophobicContact CZ-CE1 3.65Å; F308-F363 AromaticContact CZ-CZ 3.9Å; F308-F363 HydrophobicContact CZ-CZ 3.9Å; V327-F363 HydrophobicContact CB-CD1 4.09Å; V327-F363 HydrophobicContact CB-CE1 4.2Å; V327-F363 HydrophobicContact CG1-CD1 3.87Å; V327-F363 HydrophobicContact CG1-CE1 3.87Å; V327-F363 CarbonylContact O-C 3.22Å; V327-F363 VanDerWaalsContact O-CA 3.23Å; V327-F363 WeakPolarHBondContact O-CA 3.07Å; L329-F363 HydrophobicContact CD1-CD1 3.73Å; L329-F363 HydrophobicContact CD1-CE1 4Å; L329-F363 HydrophobicContact CG-CD1 4.33Å; I344-F363 HydrophobicContact CD1-CB 4.21Å; I344-F363 HydrophobicContact CD1-CD1 4.25Å; I344-F363 HydrophobicContact CD1-CG 4.4Å; I344-F363 HydrophobicContact CG1-CD1 4.05Å; I344-F363 HydrophobicContact CG1-CE1 4.39Å; I344-F363 HydrophobicContact CG1-CG 4.44Å; I344-F363 HydrophobicContact CG2-CB 4.38Å; I344-F363 HydrophobicContact CG2-CD1 4.16Å; I344-F363 HydrophobicContact CG2-CD2 3.9Å; I344-F363 HydrophobicContact CG2-CE1 4.39Å; I344-F363 HydrophobicContact CG2-CE2 4.16Å; I344-F363 HydrophobicContact CG2-CG 3.88Å; I344-F363 HydrophobicContact CG2-CZ 4.39Å; I347-F363 HydrophobicContact CB-CZ 4.43Å; I347-F363 HydrophobicContact CG2-CE1 4.34Å; I347-F363 HydrophobicContact CG2-CZ 3.7Å; K348-F363 HydrophobicContact CG-CE2 4.12Å; F355-F363 HydrophobicContact CE1-CD2 4.44Å; F355-F363 AromaticContact CE1-CE2 3.79Å; F355-F363 HydrophobicContact CE1-CE2 3.79Å; F355-F363 HydrophobicContact CE1-CZ 4.14Å; F355-F363 AromaticContact CE2-CE2 3.94Å; F355-F363 HydrophobicContact CE2-CE2 3.94Å; F355-F363 HydrophobicContact CE2-CZ 4.09Å; F355-F363 HydrophobicContact CZ-CD2 4.34Å; F355-F363 HydrophobicContact CZ-CE1 4.42Å; F355-F363 AromaticContact CZ-CE2 3.3Å; F355-F363 HydrophobicContact CZ-CE2 3.3Å; F355-F363 AromaticContact CZ-CZ 3.37Å; F355-F363 HydrophobicContact CZ-CZ 3.37Å; T361-F363 PolarHBondContact O-N 2.69Å
364	K	91.9	Very high	88	Confident	63 Å²	63	48.6 Å²	48.6	27%	0.274	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	143.3	159.8	-175	71.7	176.2	-154.4	0	108.6	E266 N270 V327 C328 L329	E266-K364 VanDerWaalsContact OE2-CE 3.29Å; E266-K364 WeakPolarHBondContact OE2-CE 3.21Å; E266-K364 IonicContact OE2-NZ 3.91Å; E266-K364 PolarHBondContact OE2-NZ 2.96Å; N270-K364 HydrophobicContact CB-CB 4.38Å; N270-K364 HydrophobicContact CB-CG 4.37Å; V327-K364 PolarHBondContact O-N 2.94Å; C328-K364 CarbonylContact C-O 3.6Å; C328-K364 WeakPolarHBondContact CA-O 3.26Å; C328-K364 HydrophobicContact CB-CB 4.29Å; L329-K364 PolarHBondContact N-O 2.98Å
365	V	92.9	Very high	88	Confident	22 Å²	22	44.6 Å²	44.6	13%	0.133	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.9	-179.3	176.3	0	0	0	0	109	L260 L329 Y331 V340 I344 I367	L260-V365 VanDerWaalsContact CB-O 3.3Å; L260-V365 WeakPolarHBondContact CB-O 3.13Å; L260-V365 HydrophobicContact CD1-CB 4.33Å; L260-V365 HydrophobicContact CD1-CG1 4.25Å; L329-V365 WeakPolarHBondContact O-CA 3.48Å; Y331-V365 HydrophobicContact CD2-CG1 4.12Å; Y331-V365 HydrophobicContact CE2-CG1 4.23Å; V340-V365 HydrophobicContact CG1-CG1 3.78Å; V340-V365 HydrophobicContact CG1-CG2 3.88Å; I344-V365 HydrophobicContact CD1-CG2 3.55Å; V365-I367 HydrophobicContact CG1-CD1 4.26Å; V365-I367 HydrophobicContact CG1-CG1 3.88Å
366	G	92.9	Very high	87.9	Confident	6 Å²	6	47.3 Å²	47.3	6%	0.062	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138.2	164.1	0	0	0	0	0	109.9	L329 Y331	L329-G366 PolarHBondContact O-N 2.95Å; Y331-G366 PolarHBondContact N-O 3.04Å
367	I	94.1	Very high	87.6	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	112.6	177.7	-57.4	175.4	0	0	0	109	G258 A259 Y331 V335 P337 V340 V365 Y369	G258-I367 CarbonylContact C-O 3.56Å; G258-I367 WeakPolarHBondContact CA-O 3.39Å; A259-I367 PolarHBondContact N-O 3.48Å; A259-I367 PolarHBondContact O-N 3.22Å; Y331-I367 HydrophobicContact CD2-CG1 4.45Å; V335-I367 HydrophobicContact CB-CG2 4.32Å; P337-I367 HydrophobicContact CB-CD1 4.32Å; P337-I367 HydrophobicContact CG-CD1 3.9Å; V340-I367 HydrophobicContact CG2-CD1 4.11Å; V365-I367 HydrophobicContact CG1-CD1 4.26Å; V365-I367 HydrophobicContact CG1-CG1 3.88Å; I367-Y369 HydrophobicContact CG2-CD1 4.36Å; I367-Y369 HydrophobicContact CG2-CE1 4.22Å
368	N	92.5	Very high	87.6	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.1	172.3	-164	-83.7	0	0	0	110.4	A252 F256 D257 Y331 R332 G333 Q370	A252-N368 HydrophobicContact CB-CB 4.08Å; A252-N368 PolarHBondContact O-ND2 2.81Å; F256-N368 WeakPolarHBondContact CB-ND2 3.06Å; F256-N368 PolarHBondContact O-ND2 3.21Å; D257-N368 PolarHBondContact O-ND2 3.35Å; Y331-N368 PolarHBondContact O-N 3.46Å; R332-N368 CarbonylContact C-O 3.03Å; R332-N368 WeakPolarHBondContact CA-O 3.47Å; G333-N368 PolarHBondContact N-O 3.19Å; N368-Q370 VanDerWaalsContact C-N 3.27Å; N368-Q370 PolarHBondContact O-N 3.24Å; N368-Q370 VanDerWaalsContact OD1-CB 3.26Å; N368-Q370 WeakPolarHBondContact OD1-CB 3.45Å; N368-Q370 PolarHBondContact OD1-N 3.23Å
369	Y	91.5	Very high	87.7	Confident	142 Å²	142	46.7 Å²	46.7	56%	0.557	29%	0.286	S	S	*	.	S	Bend	trans	-75.3	-17	-175.4	-56.2	-46.6	0	0	0	113.5	A259 G333 I367 P371	A259-Y369 WeakPolarHBondContact CB-OH 3.37Å; G333-Y369 WeakPolarHBondContact CA-O 3.3Å; I367-Y369 HydrophobicContact CG2-CD1 4.36Å; I367-Y369 HydrophobicContact CG2-CE1 4.22Å; Y369-P371 WeakPolarHBondContact O-CD 3.28Å
370	Q	92.1	Very high	88.3	Confident	74 Å²	74	46.8 Å²	46.8	35%	0.346	29%	0.285	S	S	.	.	S	Bend	trans	-76.1	118.6	178.3	-176.3	61.2	21.2	0	0	109.8	F256 R332 G333 N368	F256-Q370 HydrophobicContact CD2-CB 4.36Å; F256-Q370 HydrophobicContact CD2-CG 4.49Å; F256-Q370 HydrophobicContact CE2-CG 4.5Å; F256-Q370 HydrophobicContact CG-CB 4.27Å; R332-Q370 PolarHBondContact NE-O 3.21Å; R332-Q370 PolarHBondContact NH2-O 3.29Å; R332-Q370 VanDerWaalsContact NH2-O 3.11Å; G333-Q370 PolarHBondContact N-O 2.91Å; N368-Q370 VanDerWaalsContact C-N 3.27Å; N368-Q370 PolarHBondContact O-N 3.24Å; N368-Q370 VanDerWaalsContact OD1-CB 3.26Å; N368-Q370 WeakPolarHBondContact OD1-CB 3.45Å; N368-Q370 PolarHBondContact OD1-N 3.23Å
371	P	94.8	Very high	89.8	Confident	41 Å²	41	42.3 Å²	42.3	27%	0.266	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-63.9	158.6	174.7	28.2	-35.4	0	0	0	111	Y369 T373	Y369-P371 WeakPolarHBondContact O-CD 3.28Å; P371-T373 PolarHBondContact O-N 2.93Å
372	P	95.4	Very high	91.1	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.032	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-58.1	137.8	174.4	-20.5	32	0	0	0	111.5	Y284 R332 V383 A386	Y284-P372 WeakPolarHBondContact OH-CG 3.49Å; R332-P372 HydrophobicContact CB-CG 3.9Å; R332-P372 HydrophobicContact CG-CG 4.47Å; P372-V383 HydrophobicContact CG-CG2 4.1Å; P372-A386 HydrophobicContact CG-CB 3.46Å; P372-A386 VanDerWaalsContact CG-CB 3.46Å
373	T	95	Very high	91.9	Very high	31 Å²	31	45.2 Å²	45.2	19%	0.19	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-92.1	147.3	170.7	-62.6	0	0	0	0	109.4	L35 L38 E39 Q245 P371	L35-T373 HydrophobicContact CD1-CG2 4.23Å; L35-T373 VanDerWaalsContact CD1-O 3.24Å; L35-T373 WeakPolarHBondContact CD1-O 3.38Å; L38-T373 HydrophobicContact CB-CG2 3.82Å; E39-T373 HydrophobicContact CG-CG2 4.29Å; E39-T373 WeakPolarHBondContact CG-OG1 3.46Å; Q245-T373 PolarHBondContact NE2-O 3Å; P371-T373 PolarHBondContact O-N 2.93Å
374	V	91.3	Very high	92.1	Very high	34 Å²	34	46.9 Å²	46.9	21%	0.206	27%	0.271	C	S	.	.			trans	-116.6	146.7	176.2	-64.6	0	0	0	0	110.1	L380 A381 K382	V374-L380 HydrophobicContact CG1-CB 4.12Å; V374-A381 WeakPolarHBondContact CG1-O 3.31Å; V374-K382 HydrophobicContact CG2-CB 4.08Å
375	V	92.2	Very high	92.3	Very high	17 Å²	17	46.3 Å²	46.3	10%	0.103	27%	0.267	C	S	.	.			trans	-68.8	127.4	173.4	-179	0	0	0	0	108.5	E34 L38 G377 G378	E34-V375 HydrophobicContact CG-CG1 4.46Å; E34-V375 HydrophobicContact CG-CG2 4.11Å; E34-V375 WeakPolarHBondContact OE1-CG1 3.21Å; L38-V375 HydrophobicContact CD1-CB 4.32Å; L38-V375 HydrophobicContact CD1-CG1 4.49Å; L38-V375 HydrophobicContact CD1-CG2 4.02Å; V375-G377 PolarHBondContact O-N 3.04Å; V375-G378 WeakPolarHBondContact O-CA 3.29Å; V375-G378 PolarHBondContact O-N 3.26Å
376	P	89.6	Confident	92.5	Very high	104 Å²	104	45.2 Å²	45.2	68%	0.675	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	130.1	176.6	-26.7	35	0	0	0	112.1	G378	P376-G378 PolarHBondContact O-N 3.19Å
377	G	86.1	Confident	92.7	Very high	87 Å²	87	45 Å²	45	90%	0.897	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	9.3	-175.5	0	0	0	0	0	114.7	V375	V375-G377 PolarHBondContact O-N 3.04Å
378	G	87.3	Confident	92.9	Very high	20 Å²	20	44.9 Å²	44.9	21%	0.206	26%	0.257	C	S	.	.			trans	-78.1	172.7	171.4	0	0	0	0	0	113.3	V375 P376	V375-G378 WeakPolarHBondContact O-CA 3.29Å; V375-G378 PolarHBondContact O-N 3.26Å; P376-G378 PolarHBondContact O-N 3.19Å
379	D	89.4	Confident	93.1	Very high	51 Å²	51	44.7 Å²	44.7	27%	0.273	26%	0.256	S	S	.	.	S	Bend	trans	-84	-20.4	-171.4	-41.8	-85.8	0	0	0	113.6	L229 I231 N238 R241	L229-D379 HydrophobicContact CD1-CB 4.2Å; I231-D379 HydrophobicContact CD1-CB 3.86Å; N238-D379 PolarHBondContact ND2-OD1 3.16Å; N238-D379 PolarHBondContact ND2-OD2 2.92Å; R241-D379 IonicContact NH1-OD2 3.46Å
380	L	92.2	Very high	93.3	Very high	25 Å²	25	37.9 Å²	37.9	13%	0.131	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-82	132.6	179.9	-70	168.2	0	0	0	110.8	L229 Q245 V287 V374	L229-L380 HydrophobicContact CD1-CD2 4.26Å; L229-L380 HydrophobicContact CD2-CD2 3.94Å; Q245-L380 HydrophobicContact CG-CD1 3.68Å; V287-L380 HydrophobicContact CG1-CD2 4.14Å; V374-L380 HydrophobicContact CG1-CB 4.12Å
381	A	91.9	Very high	93.5	Very high	9 Å²	9	34.4 Å²	34.4	7%	0.074	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-69.3	148.9	172.7	0	0	0	0	0	112	I288 A293 V374 V383	I288-A381 HydrophobicContact CG2-CB 3.95Å; I288-A381 PolarHBondContact O-N 2.99Å; A293-A381 HydrophobicContact CB-CB 3.45Å; A293-A381 VanDerWaalsContact CB-CB 3.45Å; V374-A381 WeakPolarHBondContact CG1-O 3.31Å; A381-V383 PolarHBondContact O-N 3.39Å
382	K	92.1	Very high	93.5	Very high	169 Å²	169	32.4 Å²	32.4	74%	0.735	20%	0.201	S	C	*	.	P	Polyproline II helix	trans	-68.5	120.8	165.8	-172.2	177.5	-177.7	175.5	0	109.1	V374	V374-K382 HydrophobicContact CG2-CB 4.08Å
383	V	94.1	Very high	93.5	Very high	11 Å²	11	32.2 Å²	32.2	7%	0.067	20%	0.199	C	C	.	.			trans	-118.4	146.6	-179.8	-66.2	0	0	0	0	111.1	P286 I288 L298 P372 A381 R385 A386	P286-V383 HydrophobicContact CG-CB 4.43Å; P286-V383 HydrophobicContact CG-CG1 3.97Å; P286-V383 HydrophobicContact CG-CG2 4.43Å; I288-V383 HydrophobicContact CG2-CG1 3.94Å; L298-V383 HydrophobicContact CD1-CB 4.18Å; L298-V383 HydrophobicContact CD1-CG1 3.77Å; P372-V383 HydrophobicContact CG-CG2 4.1Å; A381-V383 PolarHBondContact O-N 3.39Å; V383-R385 VanDerWaalsContact C-N 3.26Å; V383-R385 WeakPolarHBondContact CG2-O 3.45Å; V383-R385 PolarHBondContact O-N 2.84Å; V383-A386 HydrophobicContact CG2-CB 4.47Å
384	P	94	Very high	93.6	Very high	67 Å²	67	31.5 Å²	31.5	44%	0.435	20%	0.195	S	C	.	.	S	Bend	trans	-74.1	-20.5	178.6	31.1	-35.6	0	0	0	112.5	G333 D334	G333-P384 WeakPolarHBondContact CA-O 3.27Å; D334-P384 PolarHBondContact N-O 3.18Å; D334-P384 VanDerWaalsContact OD1-O 3.12Å
385	R	96	Very high	93.8	Very high	51 Å²	51	30 Å²	30	19%	0.192	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	155.7	178.3	62.8	-172.1	81.5	123.2	-2.2	112.7	L298 I303 R332 D334 V335 V383	L298-R385 VanDerWaalsContact O-CD 3.23Å; L298-R385 WeakPolarHBondContact O-CD 3.4Å; L298-R385 PolarHBondContact O-NH1 3.37Å; I303-R385 HydrophobicContact CD1-CG 4.09Å; R332-R385 CarbonylContact O-C 3.55Å; R332-R385 WeakPolarHBondContact O-CA 3.45Å; R332-R385 WeakPolarHBondContact O-CB 3.24Å; D334-R385 PolarHBondContact O-NE 3.26Å; D334-R385 WeakPolarHBondContact OD1-CB 2.84Å; D334-R385 IonicContact OD1-CZ 2.73Å; D334-R385 IonicContact OD1-NE 3.38Å; D334-R385 PolarHBondContact OD1-NE 2.85Å; D334-R385 IonicContact OD1-NH2 3.43Å; D334-R385 PolarHBondContact OD1-NH2 3.13Å; D334-R385 IonicContact OD2-CZ 3.95Å; D334-R385 IonicContact OD2-NE 3.55Å; D334-R385 IonicContact OD2-NH2 3.52Å; D334-R385 PolarHBondContact OD2-NH2 3.07Å; V335-R385 HydrophobicContact CG2-CB 3.86Å; V383-R385 VanDerWaalsContact C-N 3.26Å; V383-R385 WeakPolarHBondContact CG2-O 3.45Å; V383-R385 PolarHBondContact O-N 2.84Å
386	A	97.2	Very high	94	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	171.6	170.4	0	0	0	0	0	110.5	Y284 A285 Y331 R332 P372 V383	Y284-A386 HydrophobicContact CE1-CB 4.16Å; Y284-A386 HydrophobicContact CE2-CB 4.29Å; Y284-A386 WeakPolarHBondContact OH-CB 3.41Å; A285-A386 CarbonylContact O-C 3.39Å; A285-A386 VanDerWaalsContact O-CA 3.24Å; A285-A386 WeakPolarHBondContact O-CA 3.31Å; A285-A386 WeakPolarHBondContact O-CB 3.31Å; Y331-A386 CarbonylContact C-O 3.59Å; Y331-A386 WeakPolarHBondContact CA-O 3.16Å; R332-A386 PolarHBondContact N-O 3.35Å; R332-A386 PolarHBondContact O-N 3.14Å; P372-A386 HydrophobicContact CG-CB 3.46Å; P372-A386 VanDerWaalsContact CG-CB 3.46Å; V383-A386 HydrophobicContact CG2-CB 4.47Å
387	V	97.8	Very high	94.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	132.2	173.1	56.4	0	0	0	0	109.4	A285 I303 C307 L329 L330 Y331	A285-V387 HydrophobicContact CB-CG1 4.19Å; A285-V387 PolarHBondContact N-O 2.99Å; A285-V387 PolarHBondContact O-N 3.31Å; I303-V387 HydrophobicContact CB-CG1 3.88Å; I303-V387 HydrophobicContact CD1-CB 4.26Å; I303-V387 HydrophobicContact CD1-CG1 3.93Å; I303-V387 HydrophobicContact CG1-CB 4.48Å; I303-V387 HydrophobicContact CG1-CG1 3.69Å; C307-V387 VanDerWaalsContact SG-CG1 3.56Å; L329-V387 HydrophobicContact CB-CG2 4.19Å; L329-V387 HydrophobicContact CD2-CG2 4.04Å; L330-V387 WeakPolarHBondContact O-CA 3.26Å; Y331-V387 HydrophobicContact CD1-CB 3.63Å; Y331-V387 HydrophobicContact CD1-CG2 3.84Å; Y331-V387 HydrophobicContact CD2-CG2 4.38Å; Y331-V387 HydrophobicContact CE1-CB 3.67Å; Y331-V387 HydrophobicContact CE1-CG1 4.27Å; Y331-V387 HydrophobicContact CE1-CG2 3.66Å; Y331-V387 HydrophobicContact CE2-CG2 4.23Å; Y331-V387 HydrophobicContact CG-CB 4.32Å; Y331-V387 HydrophobicContact CG-CG2 4.2Å
388	C	97.7	Very high	94.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.7	165.3	-176.8	0	0	0	0	107.9	S249 T283 Y284 L330	S249-C388 VanDerWaalsContact CB-CB 3.44Å; T283-C388 CarbonylContact O-C 3.58Å; T283-C388 WeakPolarHBondContact O-CA 3.36Å; Y284-C388 HydrophobicContact CD2-CB 3.95Å; Y284-C388 HydrophobicContact CE2-CB 4.4Å; L330-C388 HydrophobicContact CB-CB 4.25Å; L330-C388 PolarHBondContact N-O 3.3Å; L330-C388 PolarHBondContact O-N 3.48Å
389	M	97.4	Very high	94.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.7	174.1	-175	177.4	79.7	0	0	109.2	V282 T283 C307 F308 Y324 V327 C328 L329	V282-M389 WeakPolarHBondContact CA-O 3.37Å; T283-M389 PolarHBondContact N-O 2.67Å; T283-M389 PolarHBondContact O-N 2.79Å; C307-M389 HydrophobicContact CB-CB 3.82Å; C307-M389 HydrophobicContact CB-CE 4.3Å; C307-M389 HydrophobicContact CB-CG 4.49Å; C307-M389 HydrophobicContact CB-SD 3.91Å; C307-M389 WeakPolarHBondContact O-CE 3.47Å; F308-M389 HydrophobicContact CD1-CE 4.44Å; F308-M389 HydrophobicContact CD1-SD 4.21Å; F308-M389 HydrophobicContact CD2-SD 4.02Å; F308-M389 HydrophobicContact CE1-CE 4.46Å; F308-M389 HydrophobicContact CE1-SD 3.84Å; F308-M389 HydrophobicContact CE2-SD 3.61Å; F308-M389 HydrophobicContact CG-SD 4.3Å; F308-M389 HydrophobicContact CZ-SD 3.52Å; F308-M389 VanDerWaalsContact CZ-SD 3.52Å; Y324-M389 HydrophobicContact CE1-CE 4.48Å; V327-M389 HydrophobicContact CG1-CG 3.79Å; V327-M389 HydrophobicContact CG1-SD 3.89Å; C328-M389 CarbonylContact O-C 3.38Å; C328-M389 WeakPolarHBondContact O-CA 3.31Å; L329-M389 HydrophobicContact CD2-CB 3.87Å; L329-M389 HydrophobicContact CD2-CG 3.73Å; L329-M389 HydrophobicContact CD2-SD 4.1Å
390	L	96.4	Very high	95.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126	167.6	-50	172.2	0	0	0	106.8	F214 I250 F267 L271 L281 V282 V327 C328 L330	F214-L390 HydrophobicContact CD1-CD1 4.32Å; F214-L390 HydrophobicContact CD1-CD2 4Å; F214-L390 HydrophobicContact CE1-CD1 3.69Å; F214-L390 HydrophobicContact CE1-CD2 4.23Å; F214-L390 HydrophobicContact CE1-CG 4.4Å; F214-L390 HydrophobicContact CZ-CD1 4.16Å; I250-L390 HydrophobicContact CD1-CD1 3.9Å; I250-L390 HydrophobicContact CD1-CD2 3.55Å; I250-L390 HydrophobicContact CD1-CG 4.32Å; I250-L390 HydrophobicContact CG1-CD1 4.07Å; I250-L390 HydrophobicContact CG1-CD2 4.12Å; F267-L390 HydrophobicContact CD1-CD1 3.78Å; F267-L390 HydrophobicContact CE1-CD1 3.56Å; L271-L390 HydrophobicContact CD1-CB 3.77Å; L271-L390 HydrophobicContact CD1-CD1 3.92Å; L271-L390 HydrophobicContact CD2-CB 4.27Å; L281-L390 CarbonylContact O-C 3.27Å; L281-L390 WeakPolarHBondContact O-CA 3.47Å; V282-L390 HydrophobicContact CB-CD2 4.5Å; V282-L390 HydrophobicContact CG1-CD2 4.21Å; V282-L390 HydrophobicContact CG2-CD2 3.9Å; V327-L390 CarbonylContact C-O 3.45Å; V327-L390 WeakPolarHBondContact CA-O 3.48Å; C328-L390 HydrophobicContact CB-CB 4.26Å; C328-L390 PolarHBondContact N-O 3.06Å; C328-L390 PolarHBondContact O-N 2.81Å; L330-L390 HydrophobicContact CD1-CD1 3.95Å; L330-L390 HydrophobicContact CD1-CG 4.44Å
391	S	95.6	Very high	95.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	122.1	-175.7	59.5	0	0	0	0	111.9	P280 L281 A326	P280-S391 WeakPolarHBondContact CA-O 3.31Å; L281-S391 PolarHBondContact N-O 3.28Å; L281-S391 PolarHBondContact O-N 3.38Å; A326-S391 CarbonylContact O-C 3.48Å; A326-S391 VanDerWaalsContact O-CA 3.23Å; A326-S391 WeakPolarHBondContact O-CA 3.49Å
392	N	95.5	Very high	95.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.5	169.8	-158.3	-12.2	0	0	0	108.3	L271 I277 M325 A326 Y444	L271-N392 VanDerWaalsContact O-CB 3.26Å; L271-N392 WeakPolarHBondContact O-CB 3.01Å; L271-N392 PolarHBondContact O-ND2 2.77Å; I277-N392 PolarHBondContact O-ND2 2.79Å; M325-N392 HydrophobicContact CE-CB 4.32Å; M325-N392 WeakPolarHBondContact CE-OD1 3.39Å; M325-N392 PolarHBondContact N-O 3.2Å; A326-N392 HydrophobicContact CB-CB 4.38Å; A326-N392 PolarHBondContact N-O 3.42Å; A326-N392 PolarHBondContact O-N 2.86Å; N392-Y444 PolarHBondContact OD1-OH 3.21Å
393	T	95.5	Very high	95.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	145.4	-174.2	175.6	0	0	0	0	110.5	L281 K323 A395 I396	L281-T393 HydrophobicContact CD1-CG2 3.3Å; L281-T393 HydrophobicContact CG-CG2 3.75Å; K323-T393 CarbonylContact O-C 3.57Å; K323-T393 WeakPolarHBondContact O-CA 3.45Å; K323-T393 WeakPolarHBondContact O-CB 3.45Å; K323-T393 PolarHBondContact O-OG1 2.92Å; T393-A395 HydrophobicContact CG2-CB 4.08Å; T393-A395 PolarHBondContact O-N 3.23Å; T393-A395 PolarHBondContact OG1-N 2.93Å; T393-I396 VanDerWaalsContact O-CG2 3.24Å; T393-I396 WeakPolarHBondContact O-CG2 3.28Å; T393-I396 PolarHBondContact O-N 3.03Å
394	T	96	Very high	95.6	Very high	16 Å²	16	16.1 Å²	16.1	10%	0.098	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-66.6	-14.7	176.2	64.2	0	0	0	0	113.2	G322 K323 M325 I396 A397 Y444	G322-T394 VanDerWaalsContact CA-OG1 3.24Å; G322-T394 WeakPolarHBondContact CA-OG1 3.04Å; K323-T394 PolarHBondContact N-OG1 3.34Å; K323-T394 PolarHBondContact O-N 3.17Å; M325-T394 HydrophobicContact CE-CG2 4.09Å; M325-T394 HydrophobicContact CG-CG2 4.35Å; M325-T394 HydrophobicContact SD-CG2 4.12Å; T394-I396 PolarHBondContact O-N 3.45Å; T394-I396 VanDerWaalsContact O-N 3.14Å; T394-A397 VanDerWaalsContact O-CB 3.25Å; T394-A397 WeakPolarHBondContact O-CB 3.48Å; T394-A397 PolarHBondContact O-N 3.45Å; T394-Y444 VanDerWaalsContact CG2-O 3.23Å; T394-Y444 WeakPolarHBondContact CG2-O 3.46Å
395	A	96	Very high	95.6	Very high	2 Å²	2	18.3 Å²	18.3	2%	0.017	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-62.5	-19.5	175.6	0	0	0	0	0	113.8	C317 D318 T393 A397 E398	C317-A395 WeakPolarHBondContact CB-O 3.49Å; D318-A395 WeakPolarHBondContact O-CB 3.29Å; T393-A395 HydrophobicContact CG2-CB 4.08Å; T393-A395 PolarHBondContact O-N 3.23Å; T393-A395 PolarHBondContact OG1-N 2.93Å; A395-A397 PolarHBondContact O-N 3.08Å; A395-E398 WeakPolarHBondContact O-CB 3.18Å; A395-E398 PolarHBondContact O-N 3.47Å
396	I	95.8	Very high	95.6	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-63.1	-21.4	174.2	-169.4	65.4	0	0	0	112.4	L281 V315 T393 T394 E398 A399 W400 Y444	L281-I396 HydrophobicContact CD2-CB 4.28Å; L281-I396 HydrophobicContact CD2-CD1 3.54Å; L281-I396 HydrophobicContact CD2-CG1 4.28Å; V315-I396 HydrophobicContact CG1-CD1 4.12Å; T393-I396 VanDerWaalsContact O-CG2 3.24Å; T393-I396 WeakPolarHBondContact O-CG2 3.28Å; T393-I396 PolarHBondContact O-N 3.03Å; T394-I396 PolarHBondContact O-N 3.45Å; T394-I396 VanDerWaalsContact O-N 3.14Å; I396-E398 PolarHBondContact O-N 3.1Å; I396-E398 VanDerWaalsContact O-N 3.13Å; I396-A399 HydrophobicContact CD1-CB 3.83Å; I396-A399 WeakPolarHBondContact O-CA 3.11Å; I396-A399 VanDerWaalsContact O-CB 3.27Å; I396-A399 WeakPolarHBondContact O-CB 3.38Å; I396-A399 PolarHBondContact O-N 3.36Å; I396-W400 HydrophobicContact CD1-CZ2 4.21Å; I396-W400 HydrophobicContact CG1-CH2 4.2Å; I396-W400 HydrophobicContact CG1-CZ2 3.41Å; I396-W400 VanDerWaalsContact CG1-CZ2 3.41Å; I396-W400 HydrophobicContact CG2-CZ2 4.42Å; I396-W400 PolarHBondContact O-N 2.92Å; I396-Y444 HydrophobicContact CG2-CD1 3.75Å; I396-Y444 HydrophobicContact CG2-CD2 4.21Å; I396-Y444 HydrophobicContact CG2-CE1 3.27Å; I396-Y444 HydrophobicContact CG2-CE2 3.87Å; I396-Y444 HydrophobicContact CG2-CG 4.18Å
397	A	94.8	Very high	95.5	Very high	14 Å²	14	19 Å²	19	12%	0.116	10%	0.095	C	C	.	.	H	α-helix	trans	-53.5	-33.1	173.6	0	0	0	0	0	112.9	T394 A395 A399 W400 A401 E441	T394-A397 VanDerWaalsContact O-CB 3.25Å; T394-A397 WeakPolarHBondContact O-CB 3.48Å; T394-A397 PolarHBondContact O-N 3.45Å; A395-A397 PolarHBondContact O-N 3.08Å; A397-A399 PolarHBondContact O-N 2.91Å; A397-W400 PolarHBondContact O-N 3.3Å; A397-A401 WeakPolarHBondContact O-CB 3.37Å; A397-A401 PolarHBondContact O-N 2.7Å; A397-E441 HydrophobicContact CB-CG 4.38Å
398	E	93.5	Very high	95.5	Very high	60 Å²	60	22.1 Å²	22.1	28%	0.28	11%	0.112	S	C	.	.	H	α-helix	trans	-61.3	-31.5	174.3	-61.4	-172.1	152.7	0	0	113.2	C317 D318 H321 A395 I396 R402	C317-E398 HydrophobicContact CB-CB 4.5Å; D318-E398 PolarHBondContact N-OE2 2.79Å; H321-E398 WeakPolarHBondContact CB-OE1 3.22Å; H321-E398 IonicContact CE1-OE1 2.62Å; H321-E398 IonicContact CG-OE1 3.49Å; H321-E398 IonicContact ND1-OE1 3.19Å; H321-E398 PolarHBondContact ND1-OE1 3.28Å; A395-E398 WeakPolarHBondContact O-CB 3.18Å; A395-E398 PolarHBondContact O-N 3.47Å; I396-E398 PolarHBondContact O-N 3.1Å; I396-E398 VanDerWaalsContact O-N 3.13Å; E398-R402 VanDerWaalsContact O-CG 3.28Å; E398-R402 WeakPolarHBondContact O-CG 3.48Å; E398-R402 PolarHBondContact O-N 2.96Å; E398-R402 PolarHBondContact O-NH1 3.16Å
399	A	94.1	Very high	95.4	Very high	3 Å²	3	26.8 Å²	26.8	3%	0.025	14%	0.136	C	C	.	.	H	α-helix	trans	-72.1	-41.8	177	0	0	0	0	0	111.1	Y184 I396 A397 L403	Y184-A399 HydrophobicContact CD1-CB 4.44Å; Y184-A399 HydrophobicContact CE1-CB 4.03Å; I396-A399 HydrophobicContact CD1-CB 3.83Å; I396-A399 WeakPolarHBondContact O-CA 3.11Å; I396-A399 VanDerWaalsContact O-CB 3.27Å; I396-A399 WeakPolarHBondContact O-CB 3.38Å; I396-A399 PolarHBondContact O-N 3.36Å; A397-A399 PolarHBondContact O-N 2.91Å; A399-L403 PolarHBondContact O-N 3.42Å; A399-L403 VanDerWaalsContact O-N 3.16Å
400	W	95	Very high	95.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.1	-52.8	175.5	-47	143.6	0	0	0	111.2	Y184 M215 F279 I396 A397 R402 L403 D404 L437 Y444	Y184-W400 HydrophobicContact CD2-CZ3 4.33Å; Y184-W400 HydrophobicContact CE1-CE3 4.21Å; Y184-W400 AromaticContact CE1-CZ3 3.98Å; Y184-W400 HydrophobicContact CE1-CZ3 3.98Å; Y184-W400 HydrophobicContact CE2-CE3 4.24Å; Y184-W400 HydrophobicContact CE2-CH2 4.22Å; Y184-W400 AromaticContact CE2-CZ3 3.41Å; Y184-W400 HydrophobicContact CE2-CZ3 3.41Å; Y184-W400 VanDerWaalsContact CE2-CZ3 3.41Å; Y184-W400 AromaticContact CZ-CE3 3.58Å; Y184-W400 AromaticContact CZ-CZ3 3.19Å; Y184-W400 WeakPolarHBondContact OH-CZ3 3.23Å; M215-W400 HydrophobicContact CE-CH2 3.98Å; M215-W400 HydrophobicContact CE-CZ3 4.48Å; F279-W400 HydrophobicContact CB-CH2 4.23Å; F279-W400 HydrophobicContact CB-CZ2 3.81Å; F279-W400 AromaticContact CD1-CH2 3.78Å; F279-W400 HydrophobicContact CD1-CH2 3.78Å; F279-W400 HydrophobicContact CD1-CZ2 4.09Å; F279-W400 HydrophobicContact CD2-CH2 4.21Å; F279-W400 AromaticContact CD2-CZ2 3.75Å; F279-W400 HydrophobicContact CD2-CZ2 3.75Å; F279-W400 HydrophobicContact CE1-CH2 4.17Å; F279-W400 HydrophobicContact CE2-CZ2 4.36Å; F279-W400 AromaticContact CG-CH2 3.8Å; F279-W400 HydrophobicContact CG-CH2 3.8Å; F279-W400 AromaticContact CG-CZ2 3.6Å; F279-W400 HydrophobicContact CG-CZ2 3.6Å; I396-W400 HydrophobicContact CD1-CZ2 4.21Å; I396-W400 HydrophobicContact CG1-CH2 4.2Å; I396-W400 HydrophobicContact CG1-CZ2 3.41Å; I396-W400 VanDerWaalsContact CG1-CZ2 3.41Å; I396-W400 HydrophobicContact CG2-CZ2 4.42Å; I396-W400 PolarHBondContact O-N 2.92Å; A397-W400 PolarHBondContact O-N 3.3Å; W400-R402 PolarHBondContact O-N 3.14Å; W400-R402 VanDerWaalsContact O-N 3.15Å; W400-L403 WeakPolarHBondContact O-CA 3.38Å; W400-L403 WeakPolarHBondContact O-CB 3.38Å; W400-L403 PolarHBondContact O-N 3.5Å; W400-D404 WeakPolarHBondContact O-CB 3.12Å; W400-D404 PolarHBondContact O-N 3.46Å; W400-L437 HydrophobicContact CB-CD1 4.18Å; W400-L437 HydrophobicContact CB-CG 4.42Å; W400-L437 HydrophobicContact CD2-CD1 4.12Å; W400-L437 HydrophobicContact CE3-CD1 3.96Å; W400-L437 HydrophobicContact CG-CD1 4.18Å; W400-Y444 AromaticContact NE1-CD2 3.68Å; W400-Y444 AromaticContact NE1-CE2 3.58Å
401	A	94.7	Very high	95.4	Very high	36 Å²	36	30.9 Å²	30.9	30%	0.298	15%	0.154	S	C	.	.	H	α-helix	trans	-56.1	-37.6	-179	0	0	0	0	0	113	A397 H405	A397-A401 WeakPolarHBondContact O-CB 3.37Å; A397-A401 PolarHBondContact O-N 2.7Å; A401-H405 WeakPolarHBondContact O-CB 3.35Å; A401-H405 PolarHBondContact O-N 3.16Å
402	R	93.7	Very high	95.5	Very high	78 Å²	78	35 Å²	35	29%	0.294	19%	0.188	S	C	.	.	H	α-helix	trans	-69.9	-39	175.3	-73.4	-173.6	-47.1	-105.4	6.2	112.7	K316 E398 W400 K406	K316-R402 VanDerWaalsContact O-CZ 3.23Å; K316-R402 PolarHBondContact O-NH1 2.83Å; K316-R402 PolarHBondContact O-NH2 2.97Å; E398-R402 VanDerWaalsContact O-CG 3.28Å; E398-R402 WeakPolarHBondContact O-CG 3.48Å; E398-R402 PolarHBondContact O-N 2.96Å; E398-R402 PolarHBondContact O-NH1 3.16Å; W400-R402 PolarHBondContact O-N 3.14Å; W400-R402 VanDerWaalsContact O-N 3.15Å; R402-K406 WeakPolarHBondContact O-CG 3.5Å; R402-K406 PolarHBondContact O-N 2.85Å
403	L	94.4	Very high	95.5	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-47.3	177.4	-172.6	65.4	0	0	0	110.1	Y184 P185 P196 I200 A399 W400 H405 K406 F407 L437	Y184-L403 WeakPolarHBondContact OH-CD2 3.23Å; P185-L403 HydrophobicContact CB-CD1 4.39Å; P185-L403 HydrophobicContact CG-CD1 4.17Å; P196-L403 HydrophobicContact CB-CD1 4.08Å; I200-L403 HydrophobicContact CD1-CD2 4.45Å; I200-L403 HydrophobicContact CD1-CG 4.29Å; I200-L403 HydrophobicContact CG1-CD2 3.53Å; I200-L403 HydrophobicContact CG1-CG 3.8Å; A399-L403 PolarHBondContact O-N 3.42Å; A399-L403 VanDerWaalsContact O-N 3.16Å; W400-L403 WeakPolarHBondContact O-CA 3.38Å; W400-L403 WeakPolarHBondContact O-CB 3.38Å; W400-L403 PolarHBondContact O-N 3.5Å; L403-H405 PolarHBondContact O-N 2.99Å; L403-K406 PolarHBondContact O-N 3.01Å; L403-K406 VanDerWaalsContact O-N 3.13Å; L403-F407 WeakPolarHBondContact O-CB 3.49Å; L403-F407 PolarHBondContact O-N 3Å; L403-L437 HydrophobicContact CD2-CD2 3.98Å
404	D	95.7	Very high	95.6	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-55.2	-48.1	175.7	-87.7	-6.2	0	0	0	112.1	I200 W400 K406 F407 D408 R434 L437	I200-D404 VanDerWaalsContact CD1-OD1 3.32Å; I200-D404 WeakPolarHBondContact CD1-OD1 3.32Å; W400-D404 WeakPolarHBondContact O-CB 3.12Å; W400-D404 PolarHBondContact O-N 3.46Å; D404-K406 VanDerWaalsContact C-N 3.33Å; D404-K406 PolarHBondContact O-N 3.47Å; D404-F407 WeakPolarHBondContact O-CB 3.23Å; D404-F407 PolarHBondContact O-N 2.9Å; D404-D408 WeakPolarHBondContact O-CB 3.24Å; D404-D408 PolarHBondContact O-N 3.2Å; D404-R434 WeakPolarHBondContact OD1-CD 3.49Å; D404-R434 IonicContact OD1-CZ 3.21Å; D404-R434 IonicContact OD1-NE 3.35Å; D404-R434 IonicContact OD1-NH1 3.31Å; D404-R434 PolarHBondContact OD1-NH1 3.07Å; D404-R434 IonicContact OD2-CZ 3.87Å; D404-R434 IonicContact OD2-NH1 2.85Å; D404-R434 PolarHBondContact OD2-NH1 2.88Å; D404-R434 IonicContact OD2-NH2 2.74Å; D404-R434 PolarHBondContact OD2-NH2 3.17Å; D404-L437 VanDerWaalsContact OD1-CD2 3.31Å; D404-L437 WeakPolarHBondContact OD1-CD2 3.43Å
405	H	95.4	Very high	95.6	Very high	113 Å²	113	51.1 Å²	51.1	52%	0.523	26%	0.258	S	S	.	.	H	α-helix	trans	-58.7	-44.2	176.2	-178.1	64.6	0	0	0	112.6	A401 L403 D408 L409	A401-H405 WeakPolarHBondContact O-CB 3.35Å; A401-H405 PolarHBondContact O-N 3.16Å; L403-H405 PolarHBondContact O-N 2.99Å; H405-D408 PolarHBondContact O-N 3.32Å; H405-L409 WeakPolarHBondContact NE2-CD1 3.33Å; H405-L409 WeakPolarHBondContact O-CG 3.48Å; H405-L409 PolarHBondContact O-N 3.1Å
406	K	94.8	Very high	95.7	Very high	64 Å²	64	54 Å²	54	28%	0.278	27%	0.271	S	S	.	.	H	α-helix	trans	-64.7	-42.5	177.3	-72.8	178.8	177.5	-176.2	0	111.1	A186 P187 P196 R402 L403 D404 M410	A186-K406 PolarHBondContact O-NZ 2.8Å; P187-K406 PolarHBondContact O-NZ 2.54Å; P196-K406 HydrophobicContact CB-CB 4.11Å; P196-K406 HydrophobicContact CG-CB 3.78Å; P196-K406 HydrophobicContact CG-CD 4.34Å; R402-K406 WeakPolarHBondContact O-CG 3.5Å; R402-K406 PolarHBondContact O-N 2.85Å; L403-K406 PolarHBondContact O-N 3.01Å; L403-K406 VanDerWaalsContact O-N 3.13Å; D404-K406 VanDerWaalsContact C-N 3.33Å; D404-K406 PolarHBondContact O-N 3.47Å; K406-M410 WeakPolarHBondContact O-CG 3.5Å; K406-M410 PolarHBondContact O-N 3.01Å
407	F	96.3	Very high	95.8	Very high	1 Å²	1	54.1 Å²	54.1	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-51.6	175.7	176.9	-81.3	0	0	0	111.2	P196 Y197 I200 L403 D404 L409 M410 Y411 F430 R434	P196-F407 HydrophobicContact CB-CB 4.42Å; Y197-F407 AromaticContact CD1-CD2 3.34Å; Y197-F407 HydrophobicContact CD1-CD2 3.34Å; Y197-F407 AromaticContact CD1-CE2 3.45Å; Y197-F407 HydrophobicContact CD1-CE2 3.45Å; Y197-F407 VanDerWaalsContact CD1-CE2 3.45Å; Y197-F407 HydrophobicContact CD1-CG 4.24Å; Y197-F407 HydrophobicContact CD1-CZ 4.42Å; Y197-F407 AromaticContact CE1-CD2 3.64Å; Y197-F407 HydrophobicContact CE1-CD2 3.64Å; Y197-F407 AromaticContact CE1-CE2 3.67Å; Y197-F407 HydrophobicContact CE1-CE2 3.67Å; Y197-F407 HydrophobicContact CE1-CG 4.19Å; Y197-F407 HydrophobicContact CE1-CZ 4.24Å; Y197-F407 HydrophobicContact CG-CE2 4.5Å; I200-F407 HydrophobicContact CB-CD2 4.18Å; I200-F407 HydrophobicContact CB-CE2 4.46Å; I200-F407 HydrophobicContact CD1-CB 3.46Å; I200-F407 VanDerWaalsContact CD1-CB 3.46Å; I200-F407 HydrophobicContact CD1-CD1 4.32Å; I200-F407 HydrophobicContact CD1-CD2 3.51Å; I200-F407 HydrophobicContact CD1-CE2 4.32Å; I200-F407 HydrophobicContact CD1-CG 3.53Å; I200-F407 HydrophobicContact CG1-CB 4.46Å; I200-F407 HydrophobicContact CG1-CD2 4.08Å; I200-F407 HydrophobicContact CG2-CD2 4.44Å; I200-F407 HydrophobicContact CG2-CE2 4.37Å; L403-F407 WeakPolarHBondContact O-CB 3.49Å; L403-F407 PolarHBondContact O-N 3Å; D404-F407 WeakPolarHBondContact O-CB 3.23Å; D404-F407 PolarHBondContact O-N 2.9Å; F407-L409 VanDerWaalsContact C-N 3.31Å; F407-L409 PolarHBondContact O-N 3.17Å; F407-M410 WeakPolarHBondContact O-CB 3.42Å; F407-M410 PolarHBondContact O-N 3.44Å; F407-Y411 HydrophobicContact CE1-CD1 4.1Å; F407-Y411 AromaticContact CE1-CG 3.88Å; F407-Y411 HydrophobicContact CE1-CG 3.88Å; F407-Y411 HydrophobicContact CZ-CD2 4.31Å; F407-Y411 HydrophobicContact CZ-CG 4.13Å; F407-Y411 WeakPolarHBondContact O-CB 3.46Å; F407-Y411 PolarHBondContact O-N 3.46Å; F407-F430 AromaticContact CE2-CD1 3.88Å; F407-F430 HydrophobicContact CE2-CD1 3.88Å; F407-F430 HydrophobicContact CZ-CB 4.09Å; F407-F430 HydrophobicContact CZ-CD1 4.08Å; F407-F430 WeakPolarHBondContact CZ-O 3.33Å; F407-R434 HydrophobicContact CD1-CB 4.22Å; F407-R434 HydrophobicContact CD1-CG 3.89Å; F407-R434 HydrophobicContact CE1-CB 3.67Å; F407-R434 HydrophobicContact CE1-CG 3.68Å; F407-R434 HydrophobicContact CZ-CB 3.92Å; F407-R434 HydrophobicContact CZ-CG 4.43Å
408	D	97.6	Very high	95.9	Very high	67 Å²	67	59.3 Å²	59.3	36%	0.358	29%	0.293	S	S	.	.	H	α-helix	trans	-60.3	-42.3	-175.7	-69.7	-21.7	0	0	0	111.2	D404 H405 M410 Y411 A412 R434	D404-D408 WeakPolarHBondContact O-CB 3.24Å; D404-D408 PolarHBondContact O-N 3.2Å; H405-D408 PolarHBondContact O-N 3.32Å; D408-M410 VanDerWaalsContact C-N 3.29Å; D408-M410 PolarHBondContact O-N 3Å; D408-Y411 PolarHBondContact O-N 3.36Å; D408-A412 WeakPolarHBondContact O-CB 3.14Å; D408-A412 PolarHBondContact O-N 3.13Å; D408-R434 IonicContact OD1-CZ 3.71Å; D408-R434 IonicContact OD1-NE 3.01Å; D408-R434 PolarHBondContact OD1-NE 3.19Å; D408-R434 IonicContact OD1-NH2 3.74Å; D408-R434 IonicContact OD2-CZ 3.62Å; D408-R434 IonicContact OD2-NE 3.94Å; D408-R434 PolarHBondContact OD2-NE 3.4Å; D408-R434 IonicContact OD2-NH2 2.9Å; D408-R434 PolarHBondContact OD2-NH2 3.48Å
409	L	95.9	Very high	96.1	Very high	98 Å²	98	62 Å²	62	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-60.3	-37.5	175.7	-73.7	178.3	0	0	0	113	H405 F407	H405-L409 WeakPolarHBondContact NE2-CD1 3.33Å; H405-L409 WeakPolarHBondContact O-CG 3.48Å; H405-L409 PolarHBondContact O-N 3.1Å; F407-L409 VanDerWaalsContact C-N 3.31Å; F407-L409 PolarHBondContact O-N 3.17Å
410	M	95.8	Very high	96.3	Very high	31 Å²	31	61.9 Å²	61.9	15%	0.153	30%	0.299	C	S	.	.	H	α-helix	trans	-76.3	-47.3	178.3	-68.7	-179.2	61	0	0	111.5	V193 P196 Y197 K406 F407 D408 K413 R414 A415 F416	V193-M410 WeakPolarHBondContact O-CE 3.33Å; P196-M410 HydrophobicContact CB-SD 4.19Å; P196-M410 HydrophobicContact CG-SD 3.83Å; Y197-M410 HydrophobicContact CD2-CE 4.44Å; Y197-M410 HydrophobicContact CE1-CB 3.96Å; Y197-M410 HydrophobicContact CE2-CE 4.24Å; Y197-M410 VanDerWaalsContact OH-C 3.24Å; Y197-M410 PolarHBondContact OH-O 3.45Å; K406-M410 WeakPolarHBondContact O-CG 3.5Å; K406-M410 PolarHBondContact O-N 3.01Å; F407-M410 WeakPolarHBondContact O-CB 3.42Å; F407-M410 PolarHBondContact O-N 3.44Å; D408-M410 VanDerWaalsContact C-N 3.29Å; D408-M410 PolarHBondContact O-N 3Å; M410-K413 PolarHBondContact O-N 2.93Å; M410-K413 VanDerWaalsContact O-N 3.15Å; M410-R414 PolarHBondContact O-N 3.36Å; M410-A415 PolarHBondContact O-N 3.44Å; M410-A415 VanDerWaalsContact O-N 3.07Å; M410-F416 HydrophobicContact CE-CD2 3.81Å; M410-F416 HydrophobicContact CE-CE2 4.33Å
411	Y	97.3	Very high	96.4	Very high	54 Å²	54	64.7 Å²	64.7	21%	0.212	32%	0.316	C	S	.	.	H	α-helix	trans	-69.2	-36.6	-175.1	-167.4	-113.7	0	0	0	112.7	Y197 F407 D408 K413 R414 V417 F430 S431	Y197-Y411 WeakPolarHBondContact OH-CA 3.31Å; Y197-Y411 PolarHBondContact OH-N 3.28Å; Y197-Y411 VanDerWaalsContact OH-N 3.08Å; F407-Y411 HydrophobicContact CE1-CD1 4.1Å; F407-Y411 AromaticContact CE1-CG 3.88Å; F407-Y411 HydrophobicContact CE1-CG 3.88Å; F407-Y411 HydrophobicContact CZ-CD2 4.31Å; F407-Y411 HydrophobicContact CZ-CG 4.13Å; F407-Y411 WeakPolarHBondContact O-CB 3.46Å; F407-Y411 PolarHBondContact O-N 3.46Å; D408-Y411 PolarHBondContact O-N 3.36Å; Y411-K413 PolarHBondContact O-N 3.38Å; Y411-R414 WeakPolarHBondContact O-CA 3.48Å; Y411-R414 PolarHBondContact O-N 3.03Å; Y411-V417 HydrophobicContact CD2-CG2 3.78Å; Y411-V417 HydrophobicContact CE2-CG2 3.98Å; Y411-F430 HydrophobicContact CD2-CB 4.32Å; Y411-F430 HydrophobicContact CD2-CG 4.42Å; Y411-F430 HydrophobicContact CE2-CB 3.7Å; Y411-F430 HydrophobicContact CE2-CD2 4.14Å; Y411-F430 AromaticContact CE2-CG 3.98Å; Y411-F430 HydrophobicContact CE2-CG 3.98Å; Y411-S431 PolarHBondContact OH-OG 3.15Å
412	A	97.1	Very high	96.5	Very high	88 Å²	88	66 Å²	66	73%	0.727	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.6	172.4	0	0	0	0	0	113.2	D408	D408-A412 WeakPolarHBondContact O-CB 3.14Å; D408-A412 PolarHBondContact O-N 3.13Å
413	K	96.9	Very high	96.7	Very high	173 Å²	173	64.4 Å²	64.4	75%	0.752	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.3	176	-64.4	179.9	-177.8	172.9	0	113.4	M410 Y411 A415	M410-K413 PolarHBondContact O-N 2.93Å; M410-K413 VanDerWaalsContact O-N 3.15Å; Y411-K413 PolarHBondContact O-N 3.38Å; K413-A415 HydrophobicContact CB-CB 4.48Å; K413-A415 PolarHBondContact O-N 2.81Å; K413-A415 VanDerWaalsContact O-N 3.15Å
414	R	96.6	Very high	96.8	Very high	151 Å²	151	66.7 Å²	66.7	57%	0.57	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	32.4	-170.1	-53.8	-177.7	73.4	-179.6	0.7	112.3	M410 Y411 F416 V417 E427	M410-R414 PolarHBondContact O-N 3.36Å; Y411-R414 WeakPolarHBondContact O-CA 3.48Å; Y411-R414 PolarHBondContact O-N 3.03Å; R414-F416 PolarHBondContact O-N 2.82Å; R414-V417 HydrophobicContact CB-CG2 4.28Å; R414-E427 IonicContact CZ-OE1 2.74Å; R414-E427 VanDerWaalsContact CZ-OE1 3.31Å; R414-E427 IonicContact NE-OE1 3.93Å; R414-E427 PolarHBondContact NE-OE1 3.34Å; R414-E427 IonicContact NH2-OE1 3.74Å; R414-E427 PolarHBondContact NH2-OE1 3.07Å; R414-E427 IonicContact NH2-OE2 3.48Å; R414-E427 PolarHBondContact NH2-OE2 2.91Å
415	A	97	Very high	96.9	Very high	30 Å²	30	66.7 Å²	66.7	25%	0.248	36%	0.355	C	S	.	.			trans	-66.2	126.3	-177.7	0	0	0	0	0	109.1	Y197 M410 K413 V417	Y197-A415 WeakPolarHBondContact CE2-O 3.25Å; Y197-A415 PolarHBondContact OH-O 2.84Å; M410-A415 PolarHBondContact O-N 3.44Å; M410-A415 VanDerWaalsContact O-N 3.07Å; K413-A415 HydrophobicContact CB-CB 4.48Å; K413-A415 PolarHBondContact O-N 2.81Å; K413-A415 VanDerWaalsContact O-N 3.15Å; A415-V417 PolarHBondContact O-N 3.46Å
416	F	96.8	Very high	97	Very high	62 Å²	62	68.3 Å²	68.3	27%	0.272	36%	0.363	S	S	.	.	S	Bend	trans	61.1	-3.5	179.8	-48.1	-75.9	0	0	0	117	V193 V194 M410 R414 H418 W419	V193-F416 HydrophobicContact CB-CE2 4.31Å; V193-F416 HydrophobicContact CB-CZ 4.4Å; V193-F416 HydrophobicContact CG2-CE1 4.18Å; V193-F416 HydrophobicContact CG2-CE2 3.9Å; V193-F416 HydrophobicContact CG2-CZ 3.7Å; V194-F416 HydrophobicContact CG1-CB 3.66Å; V194-F416 HydrophobicContact CG1-CD1 4.27Å; V194-F416 HydrophobicContact CG1-CD2 3.87Å; V194-F416 HydrophobicContact CG1-CG 3.67Å; M410-F416 HydrophobicContact CE-CD2 3.81Å; M410-F416 HydrophobicContact CE-CE2 4.33Å; R414-F416 PolarHBondContact O-N 2.82Å; F416-H418 PolarHBondContact O-N 2.68Å; F416-H418 VanDerWaalsContact O-N 3.14Å; F416-W419 HydrophobicContact CB-CD2 4.29Å; F416-W419 HydrophobicContact CB-CE3 4.32Å; F416-W419 AromaticContact CD1-CD2 3.8Å; F416-W419 HydrophobicContact CD1-CD2 3.8Å; F416-W419 AromaticContact CD1-CE2 3.72Å; F416-W419 AromaticContact CD1-CE3 3.72Å; F416-W419 HydrophobicContact CD1-CE3 3.72Å; F416-W419 AromaticContact CD1-CH2 3.54Å; F416-W419 HydrophobicContact CD1-CH2 3.54Å; F416-W419 AromaticContact CD1-CZ2 3.61Å; F416-W419 HydrophobicContact CD1-CZ2 3.61Å; F416-W419 AromaticContact CD1-CZ3 3.59Å; F416-W419 HydrophobicContact CD1-CZ3 3.59Å; F416-W419 AromaticContact CE1-CH2 3.56Å; F416-W419 HydrophobicContact CE1-CH2 3.56Å; F416-W419 AromaticContact CE1-CZ2 3.8Å; F416-W419 HydrophobicContact CE1-CZ2 3.8Å; F416-W419 AromaticContact CE1-CZ3 3.94Å; F416-W419 HydrophobicContact CE1-CZ3 3.94Å; F416-W419 HydrophobicContact CG-CE3 4.39Å; F416-W419 VanDerWaalsContact O-CB 3.25Å; F416-W419 WeakPolarHBondContact O-CB 3.23Å; F416-W419 PolarHBondContact O-N 3.49Å
417	V	97.4	Very high	97.1	Very high	3 Å²	3	68.3 Å²	68.3	2%	0.018	36%	0.364	C	S	.	.	H	α-helix	trans	-51.2	-42.1	178.6	172.7	0	0	0	0	112.2	Y197 Y411 R414 A415 W419 Y420 V421 E427 F430	Y197-V417 HydrophobicContact CE2-CG2 4.11Å; Y411-V417 HydrophobicContact CD2-CG2 3.78Å; Y411-V417 HydrophobicContact CE2-CG2 3.98Å; R414-V417 HydrophobicContact CB-CG2 4.28Å; A415-V417 PolarHBondContact O-N 3.46Å; V417-W419 PolarHBondContact O-N 2.88Å; V417-W419 VanDerWaalsContact O-N 3.16Å; V417-Y420 PolarHBondContact O-N 2.92Å; V417-V421 HydrophobicContact CG1-CG2 4.13Å; V417-V421 PolarHBondContact O-N 3.26Å; V417-V421 VanDerWaalsContact O-N 3.1Å; V417-E427 HydrophobicContact CG1-CG 4.04Å; V417-F430 HydrophobicContact CB-CE2 4.42Å; V417-F430 HydrophobicContact CG1-CD2 4.28Å; V417-F430 HydrophobicContact CG1-CE2 3.88Å; V417-F430 HydrophobicContact CG2-CE2 4.45Å
418	H	97.4	Very high	97.1	Very high	123 Å²	123	70.1 Å²	70.1	57%	0.569	38%	0.382	S	S	*	.	H	α-helix	trans	-62	-20.3	177.4	67.4	-73.7	0	0	0	114.6	F416 Y420 G422	F416-H418 PolarHBondContact O-N 2.68Å; F416-H418 VanDerWaalsContact O-N 3.14Å; H418-Y420 VanDerWaalsContact C-N 3.34Å; H418-G422 PolarHBondContact O-N 3.24Å
419	W	97.3	Very high	97.1	Very high	116 Å²	116	69.1 Å²	69.1	44%	0.439	38%	0.375	S	S	.	.	H	α-helix	trans	-72.3	-30.3	173.6	-64.6	2.4	0	0	0	111.7	N114 V194 F416 V417 E423	N114-W419 PolarHBondContact ND2-O 3.24Å; V194-W419 HydrophobicContact CG1-CE3 4.46Å; F416-W419 HydrophobicContact CB-CD2 4.29Å; F416-W419 HydrophobicContact CB-CE3 4.32Å; F416-W419 AromaticContact CD1-CD2 3.8Å; F416-W419 HydrophobicContact CD1-CD2 3.8Å; F416-W419 AromaticContact CD1-CE2 3.72Å; F416-W419 AromaticContact CD1-CE3 3.72Å; F416-W419 HydrophobicContact CD1-CE3 3.72Å; F416-W419 AromaticContact CD1-CH2 3.54Å; F416-W419 HydrophobicContact CD1-CH2 3.54Å; F416-W419 AromaticContact CD1-CZ2 3.61Å; F416-W419 HydrophobicContact CD1-CZ2 3.61Å; F416-W419 AromaticContact CD1-CZ3 3.59Å; F416-W419 HydrophobicContact CD1-CZ3 3.59Å; F416-W419 AromaticContact CE1-CH2 3.56Å; F416-W419 HydrophobicContact CE1-CH2 3.56Å; F416-W419 AromaticContact CE1-CZ2 3.8Å; F416-W419 HydrophobicContact CE1-CZ2 3.8Å; F416-W419 AromaticContact CE1-CZ3 3.94Å; F416-W419 HydrophobicContact CE1-CZ3 3.94Å; F416-W419 HydrophobicContact CG-CE3 4.39Å; F416-W419 VanDerWaalsContact O-CB 3.25Å; F416-W419 WeakPolarHBondContact O-CB 3.23Å; F416-W419 PolarHBondContact O-N 3.49Å; V417-W419 PolarHBondContact O-N 2.88Å; V417-W419 VanDerWaalsContact O-N 3.16Å; W419-E423 WeakPolarHBondContact O-CG 3.42Å
420	Y	98.5	Very high	97.2	Very high	1 Å²	1	64.4 Å²	64.4	0%	0.004	35%	0.351	C	S	.	.	H	α-helix	trans	-84.3	-46.9	179.5	-69.3	-114.3	0	0	0	110.1	A116 V194 Y197 N198 L201 V417 H418 G422 E423 M425 F430	A116-Y420 HydrophobicContact CB-CD1 3.94Å; A116-Y420 HydrophobicContact CB-CG 4.28Å; V194-Y420 HydrophobicContact CB-CE2 4.25Å; V194-Y420 VanDerWaalsContact CB-OH 3.24Å; V194-Y420 WeakPolarHBondContact CB-OH 3.26Å; V194-Y420 HydrophobicContact CG1-CE2 4.29Å; V194-Y420 VanDerWaalsContact CG2-OH 3.3Å; V194-Y420 WeakPolarHBondContact CG2-OH 3.08Å; V194-Y420 PolarHBondContact O-OH 3.16Å; Y197-Y420 WeakPolarHBondContact CB-OH 3.43Å; Y197-Y420 HydrophobicContact CD2-CD2 4.29Å; Y197-Y420 AromaticContact CD2-CE2 3.75Å; Y197-Y420 HydrophobicContact CD2-CE2 3.75Å; N198-Y420 PolarHBondContact OD1-OH 3.33Å; L201-Y420 HydrophobicContact CD1-CD1 3.83Å; L201-Y420 HydrophobicContact CD1-CE1 3.76Å; V417-Y420 PolarHBondContact O-N 2.92Å; H418-Y420 VanDerWaalsContact C-N 3.34Å; Y420-G422 PolarHBondContact O-N 3.46Å; Y420-E423 PolarHBondContact O-N 3.11Å; Y420-M425 HydrophobicContact CD1-CE 4.15Å; Y420-M425 HydrophobicContact CD1-SD 4.01Å; Y420-M425 HydrophobicContact CG-CE 4.42Å; Y420-M425 WeakPolarHBondContact O-CB 3.36Å; Y420-M425 PolarHBondContact O-N 3.37Å; Y420-F430 HydrophobicContact CD1-CE1 4.19Å; Y420-F430 AromaticContact CD1-CZ 3.74Å; Y420-F430 HydrophobicContact CD1-CZ 3.74Å; Y420-F430 AromaticContact CD2-CZ 3.83Å; Y420-F430 HydrophobicContact CD2-CZ 3.83Å; Y420-F430 HydrophobicContact CE1-CE1 4.47Å; Y420-F430 HydrophobicContact CE1-CZ 4.37Å; Y420-F430 HydrophobicContact CE2-CZ 4.5Å; Y420-F430 HydrophobicContact CG-CE1 4.3Å; Y420-F430 HydrophobicContact CG-CE2 4.23Å; Y420-F430 AromaticContact CG-CZ 3.45Å; Y420-F430 HydrophobicContact CG-CZ 3.45Å; Y420-F430 VanDerWaalsContact CG-CZ 3.45Å
421	V	97.9	Very high	97.3	Very high	59 Å²	59	65 Å²	65	36%	0.358	36%	0.358	S	S	.	.	H	α-helix	trans	-62.3	-34.6	176.4	179.4	0	0	0	0	111.7	V417 E423 G424 M425 E427	V417-V421 HydrophobicContact CG1-CG2 4.13Å; V417-V421 PolarHBondContact O-N 3.26Å; V417-V421 VanDerWaalsContact O-N 3.1Å; V421-E423 PolarHBondContact O-N 3.15Å; V421-G424 PolarHBondContact O-N 3.25Å; V421-M425 WeakPolarHBondContact CA-O 3.18Å; V421-E427 HydrophobicContact CG2-CB 4.03Å
422	G	97.2	Very high	97.4	Very high	64 Å²	64	67.8 Å²	67.8	66%	0.66	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.6	174.6	0	0	0	0	0	114.4	H418 Y420 G424	H418-G422 PolarHBondContact O-N 3.24Å; Y420-G422 PolarHBondContact O-N 3.46Å; G422-G424 VanDerWaalsContact C-N 3.33Å
423	E	97.3	Very high	97.4	Very high	44 Å²	44	63.6 Å²	63.6	21%	0.206	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	6.5	175.5	-61.1	-71.9	164.1	0	0	111.9	A116 R117 Y120 T121 W419 Y420 V421	A116-E423 HydrophobicContact CB-CB 3.84Å; R117-E423 HydrophobicContact CB-CG 4.08Å; R117-E423 IonicContact NH1-OE1 3.24Å; R117-E423 PolarHBondContact NH1-OE1 3.07Å; Y120-E423 WeakPolarHBondContact CB-O 3.4Å; T121-E423 WeakPolarHBondContact CB-OE2 3.45Å; T121-E423 HydrophobicContact CG2-CB 4.08Å; T121-E423 WeakPolarHBondContact CG2-O 3.45Å; T121-E423 WeakPolarHBondContact CG2-OE2 3.32Å; T121-E423 PolarHBondContact OG1-OE2 2.84Å; W419-E423 WeakPolarHBondContact O-CG 3.42Å; Y420-E423 PolarHBondContact O-N 3.11Å; V421-E423 PolarHBondContact O-N 3.15Å
424	G	96	Very high	97.5	Very high	56 Å²	56	57.6 Å²	57.6	58%	0.577	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	5.9	174.6	0	0	0	0	0	115.5	V421 G422	V421-G424 PolarHBondContact O-N 3.25Å; G422-G424 VanDerWaalsContact C-N 3.33Å
425	M	98	Very high	97.5	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	31%	0.314	C	S	.	.			trans	-71.7	140.8	169.8	-167.5	-179.5	102.6	0	0	110.4	Y115 A116 Y120 L201 Y420 V421 E429 F430	Y115-M425 HydrophobicContact CD1-SD 4.34Å; A116-M425 HydrophobicContact CB-CB 3.91Å; A116-M425 HydrophobicContact CB-SD 4.09Å; Y120-M425 HydrophobicContact CD2-CB 3.93Å; Y120-M425 HydrophobicContact CD2-CG 4.27Å; Y120-M425 HydrophobicContact CE2-CB 3.72Å; Y120-M425 HydrophobicContact CE2-CG 3.55Å; Y120-M425 HydrophobicContact CE2-SD 3.99Å; L201-M425 HydrophobicContact CD1-CE 3.97Å; L201-M425 HydrophobicContact CD1-SD 3.85Å; L201-M425 HydrophobicContact CD2-CE 4.09Å; L201-M425 HydrophobicContact CD2-SD 4.2Å; Y420-M425 HydrophobicContact CD1-CE 4.15Å; Y420-M425 HydrophobicContact CD1-SD 4.01Å; Y420-M425 HydrophobicContact CG-CE 4.42Å; Y420-M425 WeakPolarHBondContact O-CB 3.36Å; Y420-M425 PolarHBondContact O-N 3.37Å; V421-M425 WeakPolarHBondContact CA-O 3.18Å; M425-E429 HydrophobicContact CE-CB 4.4Å; M425-E429 HydrophobicContact CG-CB 4.35Å; M425-E429 VanDerWaalsContact CG-OE1 3.23Å; M425-E429 WeakPolarHBondContact CG-OE1 3.46Å; M425-F430 HydrophobicContact CE-CD1 4.03Å; M425-F430 HydrophobicContact CE-CD2 3.37Å; M425-F430 HydrophobicContact CE-CE1 3.83Å; M425-F430 HydrophobicContact CE-CE2 3.14Å; M425-F430 HydrophobicContact CE-CG 3.83Å; M425-F430 HydrophobicContact CE-CZ 3.42Å; M425-F430 VanDerWaalsContact CE-CZ 3.42Å
426	E	97.6	Very high	97.5	Very high	147 Å²	147	57 Å²	57	69%	0.687	31%	0.31	S	S	*	.			trans	-78.4	139.7	175.3	-61.7	-171.3	177.8	0	0	110.5	G428 E429	E426-G428 PolarHBondContact O-N 3.15Å; E426-E429 HydrophobicContact CB-CG 4.17Å; E426-E429 PolarHBondContact N-OE1 3.15Å; E426-E429 WeakPolarHBondContact O-CB 3.48Å; E426-E429 PolarHBondContact O-N 3.32Å; E426-E429 VanDerWaalsContact O-N 3.17Å
427	E	96.3	Very high	97.5	Very high	65 Å²	65	54.2 Å²	54.2	30%	0.304	30%	0.298	S	S	.	.	H	α-helix	trans	-63.4	-25.2	-179.6	-172.5	169.1	-170.2	0	0	112.1	R414 V417 V421 E429 F430	R414-E427 IonicContact CZ-OE1 2.74Å; R414-E427 VanDerWaalsContact CZ-OE1 3.31Å; R414-E427 IonicContact NE-OE1 3.93Å; R414-E427 PolarHBondContact NE-OE1 3.34Å; R414-E427 IonicContact NH2-OE1 3.74Å; R414-E427 PolarHBondContact NH2-OE1 3.07Å; R414-E427 IonicContact NH2-OE2 3.48Å; R414-E427 PolarHBondContact NH2-OE2 2.91Å; V417-E427 HydrophobicContact CG1-CG 4.04Å; V421-E427 HydrophobicContact CG2-CB 4.03Å; E427-E429 VanDerWaalsContact C-N 3.28Å; E427-E429 PolarHBondContact O-N 3.35Å; E427-F430 PolarHBondContact O-N 3.32Å
428	G	97.3	Very high	97.5	Very high	38 Å²	38	55.9 Å²	55.9	39%	0.392	31%	0.313	S	S	.	.	H	α-helix	trans	-61.6	-32.9	176.1	0	0	0	0	0	113.5	E426 F430 S431 E432	E426-G428 PolarHBondContact O-N 3.15Å; G428-F430 PolarHBondContact O-N 2.92Å; G428-S431 WeakPolarHBondContact O-CB 3.36Å; G428-S431 PolarHBondContact O-N 3.12Å; G428-E432 PolarHBondContact O-N 2.85Å
429	E	98.2	Very high	97.4	Very high	46 Å²	46	52 Å²	52	22%	0.215	30%	0.301	C	S	.	.	H	α-helix	trans	-61.8	-30.2	-177.8	-61.1	-177.9	-105	0	0	112.1	Y120 M425 E426 E427 S431 A433	Y120-E429 PolarHBondContact OH-OE2 3.08Å; M425-E429 HydrophobicContact CE-CB 4.4Å; M425-E429 HydrophobicContact CG-CB 4.35Å; M425-E429 VanDerWaalsContact CG-OE1 3.23Å; M425-E429 WeakPolarHBondContact CG-OE1 3.46Å; E426-E429 HydrophobicContact CB-CG 4.17Å; E426-E429 PolarHBondContact N-OE1 3.15Å; E426-E429 WeakPolarHBondContact O-CB 3.48Å; E426-E429 PolarHBondContact O-N 3.32Å; E426-E429 VanDerWaalsContact O-N 3.17Å; E427-E429 VanDerWaalsContact C-N 3.28Å; E427-E429 PolarHBondContact O-N 3.35Å; E429-S431 VanDerWaalsContact C-N 3.31Å; E429-S431 PolarHBondContact O-N 2.74Å; E429-A433 WeakPolarHBondContact O-CB 3.49Å; E429-A433 PolarHBondContact O-N 2.88Å
430	F	98.3	Very high	97.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-41.7	172	-80.6	-66.7	0	0	0	112.5	Y197 L201 F407 Y411 V417 Y420 M425 E427 G428 R434	Y197-F430 HydrophobicContact CD1-CD1 4.37Å; Y197-F430 HydrophobicContact CD1-CE1 4.01Å; Y197-F430 AromaticContact CD2-CE1 3.63Å; Y197-F430 HydrophobicContact CD2-CE1 3.63Å; Y197-F430 AromaticContact CD2-CZ 3.97Å; Y197-F430 HydrophobicContact CD2-CZ 3.97Å; Y197-F430 HydrophobicContact CE1-CE1 4.4Å; Y197-F430 HydrophobicContact CE2-CE1 4.06Å; Y197-F430 HydrophobicContact CE2-CZ 4.22Å; Y197-F430 HydrophobicContact CG-CD1 4.37Å; Y197-F430 AromaticContact CG-CE1 3.59Å; Y197-F430 HydrophobicContact CG-CE1 3.59Å; Y197-F430 HydrophobicContact CG-CZ 4.37Å; L201-F430 HydrophobicContact CD1-CD1 4.34Å; L201-F430 HydrophobicContact CD1-CE1 3.96Å; L201-F430 HydrophobicContact CD2-CD1 4.5Å; F407-F430 AromaticContact CE2-CD1 3.88Å; F407-F430 HydrophobicContact CE2-CD1 3.88Å; F407-F430 HydrophobicContact CZ-CB 4.09Å; F407-F430 HydrophobicContact CZ-CD1 4.08Å; F407-F430 WeakPolarHBondContact CZ-O 3.33Å; Y411-F430 HydrophobicContact CD2-CB 4.32Å; Y411-F430 HydrophobicContact CD2-CG 4.42Å; Y411-F430 HydrophobicContact CE2-CB 3.7Å; Y411-F430 HydrophobicContact CE2-CD2 4.14Å; Y411-F430 AromaticContact CE2-CG 3.98Å; Y411-F430 HydrophobicContact CE2-CG 3.98Å; V417-F430 HydrophobicContact CB-CE2 4.42Å; V417-F430 HydrophobicContact CG1-CD2 4.28Å; V417-F430 HydrophobicContact CG1-CE2 3.88Å; V417-F430 HydrophobicContact CG2-CE2 4.45Å; Y420-F430 HydrophobicContact CD1-CE1 4.19Å; Y420-F430 AromaticContact CD1-CZ 3.74Å; Y420-F430 HydrophobicContact CD1-CZ 3.74Å; Y420-F430 AromaticContact CD2-CZ 3.83Å; Y420-F430 HydrophobicContact CD2-CZ 3.83Å; Y420-F430 HydrophobicContact CE1-CE1 4.47Å; Y420-F430 HydrophobicContact CE1-CZ 4.37Å; Y420-F430 HydrophobicContact CE2-CZ 4.5Å; Y420-F430 HydrophobicContact CG-CE1 4.3Å; Y420-F430 HydrophobicContact CG-CE2 4.23Å; Y420-F430 AromaticContact CG-CZ 3.45Å; Y420-F430 HydrophobicContact CG-CZ 3.45Å; Y420-F430 VanDerWaalsContact CG-CZ 3.45Å; M425-F430 HydrophobicContact CE-CD1 4.03Å; M425-F430 HydrophobicContact CE-CD2 3.37Å; M425-F430 HydrophobicContact CE-CE1 3.83Å; M425-F430 HydrophobicContact CE-CE2 3.14Å; M425-F430 HydrophobicContact CE-CG 3.83Å; M425-F430 HydrophobicContact CE-CZ 3.42Å; M425-F430 VanDerWaalsContact CE-CZ 3.42Å; E427-F430 PolarHBondContact O-N 3.32Å; G428-F430 PolarHBondContact O-N 2.92Å; F430-R434 VanDerWaalsContact O-CB 3.23Å; F430-R434 WeakPolarHBondContact O-CB 3.23Å; F430-R434 PolarHBondContact O-N 3.21Å; F430-R434 VanDerWaalsContact O-N 3.15Å
431	S	97.3	Very high	97.3	Very high	42 Å²	42	48.5 Å²	48.5	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-76	-42	-175.6	-50.6	0	0	0	0	110	Y411 G428 E429 R434 E435	Y411-S431 PolarHBondContact OH-OG 3.15Å; G428-S431 WeakPolarHBondContact O-CB 3.36Å; G428-S431 PolarHBondContact O-N 3.12Å; E429-S431 VanDerWaalsContact C-N 3.31Å; E429-S431 PolarHBondContact O-N 2.74Å; S431-R434 PolarHBondContact O-N 2.74Å; S431-E435 WeakPolarHBondContact O-CB 3.44Å; S431-E435 WeakPolarHBondContact O-CG 3.2Å; S431-E435 PolarHBondContact O-N 2.96Å
432	E	98.1	Very high	97.1	Very high	113 Å²	113	51.2 Å²	51.2	53%	0.528	30%	0.297	S	S	.	.	H	α-helix	trans	-60	-49	174.9	-67.4	176.3	-164.4	0	0	111.6	G428 R434 E435 D436	G428-E432 PolarHBondContact O-N 2.85Å; E432-R434 VanDerWaalsContact C-N 3.29Å; E432-R434 PolarHBondContact O-N 2.9Å; E432-E435 PolarHBondContact O-N 2.82Å; E432-D436 WeakPolarHBondContact O-CB 3.46Å; E432-D436 PolarHBondContact O-N 2.75Å
433	A	98.2	Very high	97	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-36.4	179.1	0	0	0	0	0	112.7	I200 L201 H204 E429 L437	I200-A433 HydrophobicContact CG2-CB 3.73Å; I200-A433 WeakPolarHBondContact CG2-O 3.38Å; L201-A433 HydrophobicContact CD2-CB 3.97Å; H204-A433 HydrophobicContact CB-CB 3.5Å; E429-A433 WeakPolarHBondContact O-CB 3.49Å; E429-A433 PolarHBondContact O-N 2.88Å; A433-L437 PolarHBondContact O-N 3.08Å; A433-L437 VanDerWaalsContact O-N 3.08Å
434	R	97.9	Very high	97	Very high	47 Å²	47	48 Å²	48	18%	0.177	27%	0.267	C	S	.	.	H	α-helix	trans	-69	-40.9	176.4	174.2	60.7	-174.3	97.8	-5.8	112.4	D404 F407 D408 F430 S431 E432 A438	D404-R434 WeakPolarHBondContact OD1-CD 3.49Å; D404-R434 IonicContact OD1-CZ 3.21Å; D404-R434 IonicContact OD1-NE 3.35Å; D404-R434 IonicContact OD1-NH1 3.31Å; D404-R434 PolarHBondContact OD1-NH1 3.07Å; D404-R434 IonicContact OD2-CZ 3.87Å; D404-R434 IonicContact OD2-NH1 2.85Å; D404-R434 PolarHBondContact OD2-NH1 2.88Å; D404-R434 IonicContact OD2-NH2 2.74Å; D404-R434 PolarHBondContact OD2-NH2 3.17Å; F407-R434 HydrophobicContact CD1-CB 4.22Å; F407-R434 HydrophobicContact CD1-CG 3.89Å; F407-R434 HydrophobicContact CE1-CB 3.67Å; F407-R434 HydrophobicContact CE1-CG 3.68Å; F407-R434 HydrophobicContact CZ-CB 3.92Å; F407-R434 HydrophobicContact CZ-CG 4.43Å; D408-R434 IonicContact OD1-CZ 3.71Å; D408-R434 IonicContact OD1-NE 3.01Å; D408-R434 PolarHBondContact OD1-NE 3.19Å; D408-R434 IonicContact OD1-NH2 3.74Å; D408-R434 IonicContact OD2-CZ 3.62Å; D408-R434 IonicContact OD2-NE 3.94Å; D408-R434 PolarHBondContact OD2-NE 3.4Å; D408-R434 IonicContact OD2-NH2 2.9Å; D408-R434 PolarHBondContact OD2-NH2 3.48Å; F430-R434 VanDerWaalsContact O-CB 3.23Å; F430-R434 WeakPolarHBondContact O-CB 3.23Å; F430-R434 PolarHBondContact O-N 3.21Å; F430-R434 VanDerWaalsContact O-N 3.15Å; S431-R434 PolarHBondContact O-N 2.74Å; E432-R434 VanDerWaalsContact C-N 3.29Å; E432-R434 PolarHBondContact O-N 2.9Å; R434-A438 PolarHBondContact O-N 3.46Å; R434-A438 VanDerWaalsContact O-N 3.12Å
435	E	97.8	Very high	96.8	Very high	137 Å²	137	50.7 Å²	50.7	64%	0.64	26%	0.264	S	S	*	.	H	α-helix	trans	-66	-39.6	175.3	-75.4	176.6	-170.6	0	0	111.3	S431 E432 A438 A439	S431-E435 WeakPolarHBondContact O-CB 3.44Å; S431-E435 WeakPolarHBondContact O-CG 3.2Å; S431-E435 PolarHBondContact O-N 2.96Å; E432-E435 PolarHBondContact O-N 2.82Å; E435-A438 WeakPolarHBondContact O-CB 3.46Å; E435-A438 PolarHBondContact O-N 2.89Å; E435-A439 PolarHBondContact O-N 2.51Å
436	D	97.3	Very high	96.6	Very high	31 Å²	31	55.1 Å²	55.1	17%	0.166	29%	0.285	C	S	.	.	H	α-helix	trans	-66.2	-38.7	177.8	-169.3	33.9	0	0	0	112.3	H204 R276 E432 A439 L440	H204-D436 IonicContact CE1-OD2 2.82Å; H204-D436 IonicContact CG-OD2 2.75Å; H204-D436 WeakPolarHBondContact ND1-CB 3.4Å; H204-D436 IonicContact ND1-OD2 3.81Å; H204-D436 PolarHBondContact ND1-OD2 2.77Å; R276-D436 IonicContact CZ-OD1 2.62Å; R276-D436 IonicContact NH1-OD1 2.88Å; R276-D436 PolarHBondContact NH1-OD1 3.19Å; R276-D436 PolarHBondContact NH2-O 2.88Å; R276-D436 VanDerWaalsContact NH2-O 3.12Å; R276-D436 IonicContact NH2-OD1 3.95Å; R276-D436 PolarHBondContact NH2-OD1 2.97Å; E432-D436 WeakPolarHBondContact O-CB 3.46Å; E432-D436 PolarHBondContact O-N 2.75Å; D436-A439 PolarHBondContact O-N 3.38Å; D436-L440 PolarHBondContact O-N 3.17Å
437	L	97	Very high	96.3	Very high	4 Å²	4	49 Å²	49	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-68.2	-36.5	173.8	-170.1	56.2	0	0	0	112.3	I200 T203 W400 L403 D404 A433 A439 L440 E441	I200-L437 HydrophobicContact CB-CD2 4.49Å; I200-L437 HydrophobicContact CD1-CD2 3.81Å; I200-L437 HydrophobicContact CG1-CD2 3.65Å; T203-L437 HydrophobicContact CG2-CD1 4.02Å; W400-L437 HydrophobicContact CB-CD1 4.18Å; W400-L437 HydrophobicContact CB-CG 4.42Å; W400-L437 HydrophobicContact CD2-CD1 4.12Å; W400-L437 HydrophobicContact CE3-CD1 3.96Å; W400-L437 HydrophobicContact CG-CD1 4.18Å; L403-L437 HydrophobicContact CD2-CD2 3.98Å; D404-L437 VanDerWaalsContact OD1-CD2 3.31Å; D404-L437 WeakPolarHBondContact OD1-CD2 3.43Å; A433-L437 PolarHBondContact O-N 3.08Å; A433-L437 VanDerWaalsContact O-N 3.08Å; L437-A439 VanDerWaalsContact C-N 3.33Å; L437-L440 HydrophobicContact CD1-CB 4.39Å; L437-L440 HydrophobicContact CD1-CD2 3.92Å; L437-L440 WeakPolarHBondContact O-CB 3.46Å; L437-L440 PolarHBondContact O-N 3.24Å; L437-E441 PolarHBondContact O-N 3.35Å
438	A	96.5	Very high	96	Very high	39 Å²	39	46.6 Å²	46.6	32%	0.322	25%	0.249	S	C	.	.	H	α-helix	trans	-62.8	-41.1	172.4	0	0	0	0	0	111.7	R434 E435 L440 E441 K442	R434-A438 PolarHBondContact O-N 3.46Å; R434-A438 VanDerWaalsContact O-N 3.12Å; E435-A438 WeakPolarHBondContact O-CB 3.46Å; E435-A438 PolarHBondContact O-N 2.89Å; A438-L440 VanDerWaalsContact C-N 3.33Å; A438-E441 PolarHBondContact O-N 2.98Å; A438-K442 PolarHBondContact O-N 2.67Å; A438-K442 VanDerWaalsContact O-N 3.08Å
439	A	96.6	Very high	95.5	Very high	40 Å²	40	49.1 Å²	49.1	33%	0.331	25%	0.253	S	S	.	.	H	α-helix	trans	-63.8	-40.6	175.2	0	0	0	0	0	111	E435 D436 L437 K442 D443	E435-A439 PolarHBondContact O-N 2.51Å; D436-A439 PolarHBondContact O-N 3.38Å; L437-A439 VanDerWaalsContact C-N 3.33Å; A439-K442 WeakPolarHBondContact O-CB 3.49Å; A439-K442 PolarHBondContact O-N 3.15Å; A439-D443 PolarHBondContact O-N 3.28Å
440	L	96.4	Very high	94.6	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-41.4	174	-179	63.3	0	0	0	112.4	T203 L207 R276 F279 D436 L437 A438 K442 D443 Y444	T203-L440 HydrophobicContact CG2-CD2 4.24Å; L207-L440 HydrophobicContact CD1-CD2 4.18Å; R276-L440 HydrophobicContact CB-CD1 4.13Å; R276-L440 VanDerWaalsContact O-CD1 3.23Å; R276-L440 WeakPolarHBondContact O-CD1 3.31Å; F279-L440 HydrophobicContact CD2-CD2 4.24Å; F279-L440 HydrophobicContact CE2-CD1 4.46Å; F279-L440 HydrophobicContact CE2-CD2 3.63Å; F279-L440 HydrophobicContact CZ-CD2 4.32Å; D436-L440 PolarHBondContact O-N 3.17Å; L437-L440 HydrophobicContact CD1-CB 4.39Å; L437-L440 HydrophobicContact CD1-CD2 3.92Å; L437-L440 WeakPolarHBondContact O-CB 3.46Å; L437-L440 PolarHBondContact O-N 3.24Å; A438-L440 VanDerWaalsContact C-N 3.33Å; L440-K442 VanDerWaalsContact C-N 3.31Å; L440-K442 PolarHBondContact O-N 2.82Å; L440-D443 WeakPolarHBondContact O-CB 3.17Å; L440-D443 PolarHBondContact O-N 3.32Å; L440-Y444 HydrophobicContact CD1-CD2 4.03Å; L440-Y444 HydrophobicContact CD1-CE2 3.82Å; L440-Y444 HydrophobicContact CG-CD2 4.14Å; L440-Y444 HydrophobicContact CG-CE2 4.11Å; L440-Y444 WeakPolarHBondContact O-CD2 3.46Å; L440-Y444 PolarHBondContact O-N 2.98Å; L440-Y444 VanDerWaalsContact O-N 3.11Å
441	E	95.3	Very high	93.2	Very high	44 Å²	44	53.1 Å²	53.1	21%	0.206	28%	0.282	C	S	.	.	H	α-helix	trans	-56.4	-48.1	173.4	-176.3	177.9	164.6	0	0	110.6	A397 L437 A438 D443 Y444 E445	A397-E441 HydrophobicContact CB-CG 4.38Å; L437-E441 PolarHBondContact O-N 3.35Å; A438-E441 PolarHBondContact O-N 2.98Å; E441-D443 PolarHBondContact O-N 3.17Å; E441-Y444 WeakPolarHBondContact O-CB 3.37Å; E441-Y444 PolarHBondContact O-N 3.45Å; E441-Y444 VanDerWaalsContact O-N 3.15Å; E441-E445 WeakPolarHBondContact O-CG 3.22Å; E441-E445 PolarHBondContact O-N 3.49Å
442	K	95.1	Very high	91.4	Very high	115 Å²	115	55.7 Å²	55.7	50%	0.5	30%	0.296	S	S	.	.	H	α-helix	trans	-62.3	-39.6	177	-166.5	175.3	-174.8	-97.8	0	112.8	A438 A439 L440 Y444 E445 E446	A438-K442 PolarHBondContact O-N 2.67Å; A438-K442 VanDerWaalsContact O-N 3.08Å; A439-K442 WeakPolarHBondContact O-CB 3.49Å; A439-K442 PolarHBondContact O-N 3.15Å; L440-K442 VanDerWaalsContact C-N 3.31Å; L440-K442 PolarHBondContact O-N 2.82Å; K442-Y444 VanDerWaalsContact C-N 3.27Å; K442-Y444 PolarHBondContact O-N 3.34Å; K442-E445 PolarHBondContact O-N 2.9Å; K442-E445 VanDerWaalsContact O-N 3.17Å; K442-E446 WeakPolarHBondContact CE-OE1 3.34Å; K442-E446 HydrophobicContact CG-CG 4.34Å; K442-E446 IonicContact NZ-OE1 2.64Å; K442-E446 PolarHBondContact NZ-OE1 2.86Å; K442-E446 WeakPolarHBondContact O-CB 3.45Å; K442-E446 WeakPolarHBondContact O-CG 3.42Å; K442-E446 PolarHBondContact O-N 3.08Å
443	D	95.6	Very high	89.5	Confident	42 Å²	42	54.9 Å²	54.9	23%	0.225	30%	0.295	C	S	.	.	H	α-helix	trans	-57.8	-42.3	174.9	-67.4	-25.9	0	0	0	110.6	R276 I277 A439 L440 E441 V447	R276-D443 IonicContact CZ-OD2 3.96Å; R276-D443 IonicContact NE-OD2 2.77Å; R276-D443 PolarHBondContact NE-OD2 3.07Å; R276-D443 IonicContact NH2-OD2 3.75Å; I277-D443 HydrophobicContact CD1-CB 4.14Å; I277-D443 HydrophobicContact CG1-CB 4.31Å; A439-D443 PolarHBondContact O-N 3.28Å; L440-D443 WeakPolarHBondContact O-CB 3.17Å; L440-D443 PolarHBondContact O-N 3.32Å; E441-D443 PolarHBondContact O-N 3.17Å; D443-V447 WeakPolarHBondContact O-CB 3.48Å; D443-V447 WeakPolarHBondContact O-CG2 3.49Å; D443-V447 PolarHBondContact O-N 3.25Å
444	Y	95.4	Very high	87.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-69.6	-36	176	-87.3	-78.7	0	0	0	113.1	I277 F279 M325 N392 T394 I396 W400 L440 E441 K442 G448	I277-Y444 HydrophobicContact CB-CE1 4.49Å; I277-Y444 HydrophobicContact CG1-CE2 4.48Å; I277-Y444 HydrophobicContact CG2-CD1 3.91Å; I277-Y444 HydrophobicContact CG2-CE1 3.34Å; I277-Y444 HydrophobicContact CG2-CE2 4.14Å; I277-Y444 VanDerWaalsContact CG2-CZ 3.43Å; F279-Y444 HydrophobicContact CD2-CE2 4.34Å; F279-Y444 PolarHBondContact N-OH 2.85Å; M325-Y444 HydrophobicContact CE-CD1 3.77Å; M325-Y444 HydrophobicContact CE-CE1 3.54Å; N392-Y444 PolarHBondContact OD1-OH 3.21Å; T394-Y444 VanDerWaalsContact CG2-O 3.23Å; T394-Y444 WeakPolarHBondContact CG2-O 3.46Å; I396-Y444 HydrophobicContact CG2-CD1 3.75Å; I396-Y444 HydrophobicContact CG2-CD2 4.21Å; I396-Y444 HydrophobicContact CG2-CE1 3.27Å; I396-Y444 HydrophobicContact CG2-CE2 3.87Å; I396-Y444 HydrophobicContact CG2-CG 4.18Å; W400-Y444 AromaticContact NE1-CD2 3.68Å; W400-Y444 AromaticContact NE1-CE2 3.58Å; L440-Y444 HydrophobicContact CD1-CD2 4.03Å; L440-Y444 HydrophobicContact CD1-CE2 3.82Å; L440-Y444 HydrophobicContact CG-CD2 4.14Å; L440-Y444 HydrophobicContact CG-CE2 4.11Å; L440-Y444 WeakPolarHBondContact O-CD2 3.46Å; L440-Y444 PolarHBondContact O-N 2.98Å; L440-Y444 VanDerWaalsContact O-N 3.11Å; E441-Y444 WeakPolarHBondContact O-CB 3.37Å; E441-Y444 PolarHBondContact O-N 3.45Å; E441-Y444 VanDerWaalsContact O-N 3.15Å; K442-Y444 VanDerWaalsContact C-N 3.27Å; K442-Y444 PolarHBondContact O-N 3.34Å; Y444-G448 PolarHBondContact O-N 3.21Å
445	E	93	Very high	85	Confident	111 Å²	111	62.6 Å²	62.6	52%	0.519	35%	0.346	S	S	.	.	H	α-helix	trans	-64.3	-51.4	174.2	-70.7	-176.3	160.4	0	0	111.3	E441 K442 V447 G448 I449	E441-E445 WeakPolarHBondContact O-CG 3.22Å; E441-E445 PolarHBondContact O-N 3.49Å; K442-E445 PolarHBondContact O-N 2.9Å; K442-E445 VanDerWaalsContact O-N 3.17Å; E445-V447 VanDerWaalsContact C-N 3.3Å; E445-V447 PolarHBondContact O-N 2.92Å; E445-G448 WeakPolarHBondContact O-CA 3.43Å; E445-G448 PolarHBondContact O-N 3.12Å; E445-I449 PolarHBondContact O-N 2.91Å
446	E	92.8	Very high	82.5	Confident	96 Å²	96	63.7 Å²	63.7	45%	0.449	35%	0.351	S	S	.	.	H	α-helix	trans	-58	-43.1	-178	-75.5	-179.5	-172.7	0	0	111.7	K442 G448 I449	K442-E446 WeakPolarHBondContact CE-OE1 3.34Å; K442-E446 HydrophobicContact CG-CG 4.34Å; K442-E446 IonicContact NZ-OE1 2.64Å; K442-E446 PolarHBondContact NZ-OE1 2.86Å; K442-E446 WeakPolarHBondContact O-CB 3.45Å; K442-E446 WeakPolarHBondContact O-CG 3.42Å; K442-E446 PolarHBondContact O-N 3.08Å; E446-G448 PolarHBondContact O-N 2.93Å; E446-I449 PolarHBondContact O-N 3.15Å
447	V	91.6	Very high	80.1	Confident	19 Å²	19	65.5 Å²	65.5	12%	0.115	38%	0.377	C	S	.	.	H	α-helix	trans	-69.7	-19.2	179.2	175.3	0	0	0	0	112.7	Y274 I277 M325 W358 D443 E445	Y274-V447 HydrophobicContact CD2-CG2 4.03Å; Y274-V447 HydrophobicContact CE2-CG1 4.26Å; Y274-V447 HydrophobicContact CE2-CG2 3.7Å; I277-V447 HydrophobicContact CD1-CB 4.22Å; I277-V447 HydrophobicContact CD1-CG2 3.63Å; M325-V447 HydrophobicContact CG-CG1 4.16Å; M325-V447 HydrophobicContact SD-CB 4.33Å; M325-V447 HydrophobicContact SD-CG1 3.36Å; M325-V447 WeakPolarHBondContact SD-CG1 3.3Å; W358-V447 HydrophobicContact CH2-CG1 4.34Å; W358-V447 HydrophobicContact CZ2-CG1 3.39Å; W358-V447 PolarHBondContact NE1-O 3.25Å; D443-V447 WeakPolarHBondContact O-CB 3.48Å; D443-V447 WeakPolarHBondContact O-CG2 3.49Å; D443-V447 PolarHBondContact O-N 3.25Å; E445-V447 VanDerWaalsContact C-N 3.3Å; E445-V447 PolarHBondContact O-N 2.92Å
448	G	89.7	Confident	77.5	Confident	13 Å²	13	74.2 Å²	74.2	13%	0.134	42%	0.417	C	S	.	.	H	α-helix	trans	-84.7	-14.9	175.4	0	0	0	0	0	115.1	K323 Y444 E445 E446	K323-G448 PolarHBondContact NZ-O 3.29Å; Y444-G448 PolarHBondContact O-N 3.21Å; E445-G448 WeakPolarHBondContact O-CA 3.43Å; E445-G448 PolarHBondContact O-N 3.12Å; E446-G448 PolarHBondContact O-N 2.93Å
449	I	88.5	Confident	74.8	Confident	92 Å²	92	74.8 Å²	74.8	47%	0.472	43%	0.427	S	S	.	.	S	Bend	trans	-69.3	131	177.5	-60.5	173.2	0	0	0	108.5	E445 E446 D453	E445-I449 PolarHBondContact O-N 2.91Å; E446-I449 PolarHBondContact O-N 3.15Å; I449-D453 HydrophobicContact CG2-CB 4Å
450	D	77.5	Confident	72	Confident	53 Å²	53	80.9 Å²	80.9	28%	0.283	45%	0.454	S	S	.	.			trans	-67.1	142.6	175.9	-72.9	-43.1	0	0	0	109.8	K323 V452 D453 G454	K323-D450 IonicContact NZ-OD1 2.67Å; K323-D450 PolarHBondContact NZ-OD1 3.27Å; K323-D450 IonicContact NZ-OD2 2.77Å; K323-D450 PolarHBondContact NZ-OD2 3.06Å; D450-V452 PolarHBondContact O-N 3.06Å; D450-D453 PolarHBondContact O-N 2.64Å; D450-G454 PolarHBondContact O-N 2.93Å
451	S	69.3	Low	69.2	Low	76 Å²	76	89.7 Å²	89.7	53%	0.531	50%	0.496	S	S	.	.	H	α-helix	trans	-56.7	-28.3	178.7	58.7	0	0	0	0	112.8	D357 G454	D357-S451 WeakPolarHBondContact OD2-CB 3.48Å; D357-S451 PolarHBondContact OD2-N 2.83Å; D357-S451 PolarHBondContact OD2-OG 3.04Å; S451-G454 PolarHBondContact O-N 3.45Å
452	V	60.4	Low	67.1	Low	96 Å²	96	102.1 Å²	102.1	58%	0.582	54%	0.543	S	S	*	.	H	α-helix	trans	-69.1	-35.3	176.8	-170	0	0	0	0	112	D450 G454	D450-V452 PolarHBondContact O-N 3.06Å; V452-G454 VanDerWaalsContact C-N 3.35Å
453	D	58.3	Low	65.7	Low	97 Å²	97	101.5 Å²	101.5	52%	0.519	55%	0.545	S	S	.	.	H	α-helix	trans	-77.6	-23.9	179.1	-66.6	-23.9	0	0	0	111.7	I449 D450	I449-D453 HydrophobicContact CG2-CB 4Å; D450-D453 PolarHBondContact O-N 2.64Å
454	G	51.2	Low	64.2	Low	48 Å²	48	104.6 Å²	104.6	50%	0.495	56%	0.562	S	S	.	*	H	α-helix	trans	-72.6	-30.9	176.4	0	0	0	0	0	114.2	D450 S451 V452	D450-G454 PolarHBondContact O-N 2.93Å; S451-G454 PolarHBondContact O-N 3.45Å; V452-G454 VanDerWaalsContact C-N 3.35Å
455	E	48.9	Very low	62.4	Low	160 Å²	160	110.4 Å²	110.4	75%	0.748	59%	0.593	S	S	*	*	H	α-helix	trans	-81.8	-24.1	179.8	-70.8	-173.2	174.9	0	0	113.3	G457 E458	E455-G457 PolarHBondContact O-N 3.31Å; E455-G457 VanDerWaalsContact O-N 3.16Å; E455-E458 PolarHBondContact O-N 3.16Å
456	E	46.6	Very low	60.6	Low	161 Å²	161	110.4 Å²	110.4	75%	0.752	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-12	176.9	-71.3	-166.4	170.8	0	0	113.2
457	G	45.7	Very low	58.6	Low	69 Å²	69	111.3 Å²	111.3	71%	0.711	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-17.6	176.1	0	0	0	0	0	116	E455	E455-G457 PolarHBondContact O-N 3.31Å; E455-G457 VanDerWaalsContact O-N 3.16Å
458	E	43.5	Very low	56.4	Low	186 Å²	186	117.4 Å²	117.4	87%	0.869	64%	0.639	S	S	*	*	S	Bend	trans	-113	13.8	-175.9	-68.1	-164.3	165.3	0	0	113.7	E455	E455-E458 PolarHBondContact O-N 3.16Å
459	G	38.9	Very low	54	Low	51 Å²	51	124.9 Å²	124.9	53%	0.526	68%	0.675	S	S	.	*	S	Bend	trans	-89.2	-12.1	-172.4	0	0	0	0	0	118.1
460	D	37.9	Very low	51.4	Low	168 Å²	168	127.4 Å²	127.4	90%	0.898	69%	0.691	S	S	*	*			trans	-122.6	43.9	-167.2	-83.8	-18.2	0	0	0	114.8
461	E	38.8	Very low	49.2	Very low	187 Å²	187	133.6 Å²	133.6	87%	0.874	73%	0.725	S	S	*	*			trans	-124.8	86.9	159.7	-73.8	-164.3	168.9	0	0	111.4
462	Y	50.8	Low	47.4	Very low	304 Å²	304	138.8 Å²	138.8	100%	1.192	74%	0.742	S	S	*	*			trans	-130.2	0	157.7	-83	-69.5	0	0	0	111.7

Retrieved 462 of 462 residues in 223.6 ms (Link to these results)

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