A0A077ZAD8_TRITR Loading...

Bifunctional 3' phosphoadenosine

AlphaFold DB , UniProt , Accession A0A077ZAD8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 630 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.7	Very low	32.1	Very low	219 Å²	219	162.6 Å²	162.6	100%	1.079	83%	0.832	S	S	*	*				0	107.7	0	-91.2	173.3	-169.7	0	0	108.3
2	T	31.8	Very low	32.3	Very low	144 Å²	144	160.8 Å²	160.8	88%	0.883	82%	0.824	S	S	*	*			trans	-81.5	115.4	173.5	-6.7	0	0	0	0	107.3	Q4	T2-Q4 PolarHBondContact O-N 3.36Å
3	W	32.1	Very low	32.2	Very low	210 Å²	210	167.6 Å²	167.6	80%	0.795	83%	0.833	S	S	*	*			trans	-75.8	101.8	179.7	-65.5	92.1	0	0	0	109.5	F5	W3-F5 HydrophobicContact CB-CD2 4.4Å; W3-F5 HydrophobicContact CB-CE2 3.95Å
4	Q	27.4	Very low	32.3	Very low	190 Å²	190	163 Å²	163	89%	0.888	83%	0.825	S	S	*	*			trans	-82.5	111.1	165.5	-89	179.1	-25.3	0	0	108.4	T2	T2-Q4 PolarHBondContact O-N 3.36Å
5	F	31.1	Very low	32.8	Very low	166 Å²	166	159.9 Å²	159.9	73%	0.728	81%	0.812	S	S	*	*			trans	-87.1	108.1	168.6	-73.4	-85.7	0	0	0	108.4	W3 L7	W3-F5 HydrophobicContact CB-CD2 4.4Å; W3-F5 HydrophobicContact CB-CE2 3.95Å; F5-L7 PolarHBondContact O-N 2.92Å
6	E	29.8	Very low	33.2	Very low	194 Å²	194	158.7 Å²	158.7	91%	0.907	81%	0.814	S	S	*	*			trans	-71.4	110.8	165.7	-80.4	-177.1	156	0	0	109	S8	E6-S8 PolarHBondContact O-N 3.44Å
7	L	30.7	Very low	33.6	Very low	154 Å²	154	159.2 Å²	159.2	81%	0.806	81%	0.812	S	S	*	*			trans	-82.8	101.2	172.2	-73.8	161	0	0	0	108.5	F5 N9	F5-L7 PolarHBondContact O-N 2.92Å; L7-N9 PolarHBondContact O-N 2.83Å
8	S	33.3	Very low	34.3	Very low	111 Å²	111	157.2 Å²	157.2	78%	0.776	80%	0.802	S	S	*	*			trans	-73.7	93.9	166.9	54.9	0	0	0	0	109.6	E6 S10	E6-S8 PolarHBondContact O-N 3.44Å; S8-S10 PolarHBondContact O-N 3.18Å
9	N	30.4	Very low	35	Very low	152 Å²	152	155.3 Å²	155.3	81%	0.813	79%	0.794	S	S	*	*			trans	-79.8	89.9	167.1	-92.4	-26.4	0	0	0	109.2	L7	L7-N9 PolarHBondContact O-N 2.83Å
10	S	32.1	Very low	35.8	Very low	91 Å²	91	156.7 Å²	156.7	64%	0.636	79%	0.794	S	S	*	*			trans	-137.2	133.2	159.4	58.1	0	0	0	0	110.2	S8	S8-S10 PolarHBondContact O-N 3.18Å
11	N	32.1	Very low	36.8	Very low	158 Å²	158	156.9 Å²	156.9	85%	0.845	80%	0.797	S	S	*	*			trans	82	69.2	172.9	-53.3	-22	0	0	0	118
12	L	34.4	Very low	37.6	Very low	140 Å²	140	149.3 Å²	149.3	73%	0.733	77%	0.766	S	S	*	*			trans	-120.2	26.9	160.4	-97.5	160.1	0	0	0	113
13	R	30.8	Very low	39.7	Very low	250 Å²	250	154.4 Å²	154.4	94%	0.943	77%	0.769	S	S	*	*			trans	-117.8	64.3	178.4	-72.5	-168.1	179.5	-174	1.5	112.9
14	S	34	Very low	41.8	Very low	103 Å²	103	147.2 Å²	147.2	72%	0.72	75%	0.754	S	S	*	*	S	Bend	trans	-172.7	80.3	156	54.3	0	0	0	0	109.9
15	N	38.8	Very low	44.2	Very low	116 Å²	116	143.7 Å²	143.7	62%	0.62	75%	0.745	S	S	*	*			trans	-164.6	49.2	161.2	-95.5	-16.8	0	0	0	111.1	H17 D147	N15-H17 PolarHBondContact O-N 3.31Å; N15-D147 PolarHBondContact ND2-O 3.17Å
16	V	39.2	Very low	46.8	Very low	141 Å²	141	143.5 Å²	143.5	86%	0.855	75%	0.752	S	S	*	*			trans	-99	55.3	176.3	-168.5	0	0	0	0	110.6
17	H	40.5	Very low	49.3	Very low	168 Å²	168	138.8 Å²	138.8	78%	0.778	74%	0.737	S	S	*	*			trans	-123.5	1.6	171.6	-92.5	6.6	0	0	0	115.4	N15 L19	N15-H17 PolarHBondContact O-N 3.31Å; H17-L19 PolarHBondContact O-N 3.23Å
18	L	46.2	Very low	51.7	Low	122 Å²	122	136.1 Å²	136.1	64%	0.639	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	11	-171.3	-90.5	157.5	0	0	0	117.4
19	L	47.9	Very low	54	Low	121 Å²	121	137 Å²	137	63%	0.634	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.4	23.6	-175.1	-68.9	172	0	0	0	115.9	H17 N21	H17-L19 PolarHBondContact O-N 3.23Å; L19-N21 VanDerWaalsContact C-N 3.26Å; L19-N21 PolarHBondContact O-N 3.29Å
20	K	51.6	Low	56.5	Low	184 Å²	184	137.1 Å²	137.1	80%	0.8	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-22.7	179.2	-81.1	-174.5	177.2	177.7	0	114.7
21	N	56	Low	58.9	Low	161 Å²	161	136.9 Å²	136.9	86%	0.861	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.6	15.3	-177.5	-79.1	-9.1	0	0	0	115.1	L19 R23	L19-N21 VanDerWaalsContact C-N 3.26Å; L19-N21 PolarHBondContact O-N 3.29Å; N21-R23 PolarHBondContact O-N 3.25Å
22	S	58.5	Low	61.4	Low	60 Å²	60	136 Å²	136	42%	0.42	71%	0.714	S	S	.	*			trans	-72.3	114.7	177.5	179.9	0	0	0	0	110.7	A24	S22-A24 VanDerWaalsContact C-N 3.26Å; S22-A24 PolarHBondContact OG-N 3.34Å; S22-A24 PolarHBondContact OG-O 3.22Å
23	R	76	Confident	64	Low	251 Å²	251	141.3 Å²	141.3	95%	0.947	73%	0.725	S	S	*	*			trans	-71.3	-21.9	170.1	-68.3	-172.8	-179.3	-176.4	1	112.8	N21 T25	N21-R23 PolarHBondContact O-N 3.25Å; R23-T25 PolarHBondContact O-N 2.86Å
24	A	76.4	Confident	66.7	Low	59 Å²	59	132.8 Å²	132.8	49%	0.488	70%	0.7	S	S	.	*			trans	-77	116.9	-178.6	0	0	0	0	0	110.4	S22 V27	S22-A24 VanDerWaalsContact C-N 3.26Å; S22-A24 PolarHBondContact OG-N 3.34Å; S22-A24 PolarHBondContact OG-O 3.22Å; A24-V27 HydrophobicContact CB-CG2 3.79Å
25	T	79.6	Confident	69.2	Low	115 Å²	115	131.3 Å²	131.3	71%	0.706	69%	0.687	S	S	*	*	S	Bend	trans	-83.2	143.8	165.9	54.7	0	0	0	0	109.3	R23	R23-T25 PolarHBondContact O-N 2.86Å
26	N	84.2	Confident	71.4	Confident	162 Å²	162	128.1 Å²	128.1	87%	0.866	67%	0.666	S	S	*	*	S	Bend	trans	79.9	34.4	178.7	-42.7	-49.8	0	0	0	116.8
27	V	81.7	Confident	73.4	Confident	96 Å²	96	126.1 Å²	126.1	58%	0.582	65%	0.647	S	S	*	*			trans	-105.2	123.7	172.2	-175.8	0	0	0	0	109.9	A24	A24-V27 HydrophobicContact CB-CG2 3.79Å
28	T	83	Confident	75.5	Confident	98 Å²	98	122.8 Å²	122.8	60%	0.601	63%	0.632	S	S	*	*			trans	-114.4	134.1	174.8	54.6	0	0	0	0	110.3
29	P	79.7	Confident	77.4	Confident	128 Å²	128	118.4 Å²	118.4	83%	0.831	61%	0.607	S	S	*	*			trans	-62.6	140.8	174.8	26.8	-33.2	0	0	0	110.8
30	Q	84.8	Confident	78.8	Confident	155 Å²	155	112.7 Å²	112.7	72%	0.724	58%	0.577	S	S	*	*			trans	-115.5	125.3	178.1	-68.1	-67	-26	0	0	109.4
31	S	82.2	Confident	80	Confident	86 Å²	86	107.8 Å²	107.8	60%	0.601	56%	0.559	S	S	*	*			trans	-81.6	134.2	176.2	-57	0	0	0	0	110.7
32	H	84.4	Confident	81.2	Confident	140 Å²	140	105 Å²	105	65%	0.648	55%	0.553	S	S	*	*			trans	-69.3	140.6	174.7	-67	-86.1	0	0	0	111.1	V34	H32-V34 VanDerWaalsContact C-N 3.27Å
33	R	88	Confident	82.1	Confident	252 Å²	252	106 Å²	106	95%	0.951	55%	0.553	S	S	*	*	S	Bend	trans	-80.2	-10.3	170.1	-63.7	-175.9	-177	-178.7	0.9	113.4
34	V	88.2	Confident	81.8	Confident	71 Å²	71	94.8 Å²	94.8	43%	0.43	52%	0.516	S	S	.	.	S	Bend	trans	-113	128.4	-179.3	-176.5	0	0	0	0	107.9	H32 Q38 R39	H32-V34 VanDerWaalsContact C-N 3.27Å; V34-Q38 VanDerWaalsContact CA-OE1 3.32Å; V34-Q38 HydrophobicContact CG1-CB 3.6Å; V34-R39 HydrophobicContact CG1-CG 3.76Å; V34-R39 PolarHBondContact O-NH1 3.03Å
35	T	87.2	Confident	81.4	Confident	72 Å²	72	95.8 Å²	95.8	44%	0.442	51%	0.509	S	S	.	.			trans	-76.9	158.8	177.7	71.2	0	0	0	0	111	E37 Q38 R39	T35-E37 PolarHBondContact O-N 2.92Å; T35-Q38 PolarHBondContact O-N 2.75Å; T35-Q38 VanDerWaalsContact O-N 3.15Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.38Å; T35-Q38 PolarHBondContact OG1-N 3.49Å; T35-Q38 VanDerWaalsContact OG1-N 3.12Å; T35-R39 PolarHBondContact O-N 3.27Å
36	R	84.9	Confident	81.3	Confident	49 Å²	49	91.1 Å²	91.1	19%	0.185	48%	0.479	C	S	.	.	H	α-helix	trans	-56.3	-35.5	171.6	178.6	173.7	171.2	-143.1	-1.9	112.1	R39 A40 R50 G51 A120 D121	R36-R39 PolarHBondContact O-N 2.83Å; R36-A40 WeakPolarHBondContact O-CB 3.44Å; R36-A40 PolarHBondContact O-N 2.91Å; R36-R50 PolarHBondContact NE-O 3.25Å; R36-R50 PolarHBondContact NH2-O 3.04Å; R36-G51 PolarHBondContact NH2-O 3.26Å; R36-A120 PolarHBondContact NE-O 2.98Å; R36-D121 WeakPolarHBondContact CG-O 3.38Å
37	E	81.1	Confident	80.7	Confident	99 Å²	99	91.4 Å²	91.4	46%	0.463	48%	0.475	S	S	.	.	H	α-helix	trans	-62.3	-46.7	174.2	157.9	157.1	-122.6	0	0	113.1	T35 R39 A40 N41 R50	T35-E37 PolarHBondContact O-N 2.92Å; E37-R39 VanDerWaalsContact C-N 3.34Å; E37-R39 PolarHBondContact O-N 2.84Å; E37-A40 PolarHBondContact O-N 3.46Å; E37-N41 WeakPolarHBondContact O-CB 3.23Å; E37-N41 PolarHBondContact O-N 2.89Å; E37-N41 PolarHBondContact O-ND2 2.91Å; E37-R50 VanDerWaalsContact CD-NH2 3.27Å; E37-R50 IonicContact OE1-CZ 2.87Å; E37-R50 IonicContact OE1-NH2 2.74Å; E37-R50 PolarHBondContact OE1-NH2 3.33Å
38	Q	84.4	Confident	80.3	Confident	97 Å²	97	92.3 Å²	92.3	45%	0.453	48%	0.477	S	S	.	.	H	α-helix	trans	-62.9	-40.9	176.5	-72.9	171.2	-40.1	0	0	111.9	V34 T35 S42	V34-Q38 VanDerWaalsContact CA-OE1 3.32Å; V34-Q38 HydrophobicContact CG1-CB 3.6Å; T35-Q38 PolarHBondContact O-N 2.75Å; T35-Q38 VanDerWaalsContact O-N 3.15Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.38Å; T35-Q38 PolarHBondContact OG1-N 3.49Å; T35-Q38 VanDerWaalsContact OG1-N 3.12Å; Q38-S42 PolarHBondContact O-N 3.14Å
39	R	86.8	Confident	80.3	Confident	31 Å²	31	87.9 Å²	87.9	12%	0.117	45%	0.449	C	S	.	.	H	α-helix	trans	-63.3	-47.4	176.5	-69.3	-171.5	-77.7	-92.8	6.6	111.9	V34 T35 R36 E37 N41 S42 L43 D121 M122	V34-R39 HydrophobicContact CG1-CG 3.76Å; V34-R39 PolarHBondContact O-NH1 3.03Å; T35-R39 PolarHBondContact O-N 3.27Å; R36-R39 PolarHBondContact O-N 2.83Å; E37-R39 VanDerWaalsContact C-N 3.34Å; E37-R39 PolarHBondContact O-N 2.84Å; R39-N41 VanDerWaalsContact C-N 3.34Å; R39-N41 PolarHBondContact O-N 2.84Å; R39-S42 WeakPolarHBondContact O-CA 3.17Å; R39-S42 WeakPolarHBondContact O-CB 3.38Å; R39-S42 PolarHBondContact O-N 3.17Å; R39-L43 PolarHBondContact O-N 3.44Å; R39-D121 IonicContact CZ-OD2 3.65Å; R39-D121 PolarHBondContact NE-O 3.43Å; R39-D121 PolarHBondContact NH2-O 3.33Å; R39-D121 IonicContact NH2-OD1 3.98Å; R39-D121 PolarHBondContact NH2-OD1 3.46Å; R39-D121 IonicContact NH2-OD2 3.81Å; R39-D121 PolarHBondContact NH2-OD2 3.36Å; R39-M122 VanDerWaalsContact CB-O 3.26Å; R39-M122 WeakPolarHBondContact CB-O 3.23Å; R39-M122 VanDerWaalsContact CD-SD 3.55Å; R39-M122 HydrophobicContact CG-SD 4.49Å
40	A	77.3	Confident	80.6	Confident	0 Å²	0	83.9 Å²	83.9	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-67.5	-35.8	-176.4	0	0	0	0	0	112.4	R36 E37 S42 L43 G44 F49	R36-A40 WeakPolarHBondContact O-CB 3.44Å; R36-A40 PolarHBondContact O-N 2.91Å; E37-A40 PolarHBondContact O-N 3.46Å; A40-S42 PolarHBondContact O-N 2.92Å; A40-L43 PolarHBondContact O-N 2.75Å; A40-G44 PolarHBondContact O-N 2.96Å; A40-F49 WeakPolarHBondContact CB-O 3.47Å
41	N	76	Confident	80.9	Confident	81 Å²	81	76.6 Å²	76.6	43%	0.433	38%	0.384	S	S	.	.	H	α-helix	trans	-64.8	-22.4	170.9	-68.1	-10.9	0	0	0	113	E37 R39 R50	E37-N41 WeakPolarHBondContact O-CB 3.23Å; E37-N41 PolarHBondContact O-N 2.89Å; E37-N41 PolarHBondContact O-ND2 2.91Å; R39-N41 VanDerWaalsContact C-N 3.34Å; R39-N41 PolarHBondContact O-N 2.84Å; N41-R50 PolarHBondContact OD1-NH1 3.31Å
42	S	80.6	Confident	81.6	Confident	103 Å²	103	72.5 Å²	72.5	72%	0.72	36%	0.356	S	S	*	.	H	α-helix	trans	-87.5	-26	176.5	-176.1	0	0	0	0	113.7	Q38 R39 A40	Q38-S42 PolarHBondContact O-N 3.14Å; R39-S42 WeakPolarHBondContact O-CA 3.17Å; R39-S42 WeakPolarHBondContact O-CB 3.38Å; R39-S42 PolarHBondContact O-N 3.17Å; A40-S42 PolarHBondContact O-N 2.92Å
43	L	78.3	Confident	82.2	Confident	80 Å²	80	65.9 Å²	65.9	42%	0.419	33%	0.325	S	S	.	.	H	α-helix	trans	-97.9	-35.8	-174.6	-78.3	155.7	0	0	0	113.1	R39 A40 P81 M122	R39-L43 PolarHBondContact O-N 3.44Å; A40-L43 PolarHBondContact O-N 2.75Å; L43-P81 HydrophobicContact CB-CG 3.96Å; L43-P81 WeakPolarHBondContact O-CG 3.38Å; L43-M122 HydrophobicContact CD1-CE 3.73Å; L43-M122 HydrophobicContact CD1-CG 3.79Å; L43-M122 WeakPolarHBondContact CD1-O 3.38Å; L43-M122 HydrophobicContact CD1-SD 4.38Å; L43-M122 HydrophobicContact CD2-CE 4.47Å; L43-M122 HydrophobicContact CG-CE 4.44Å
44	G	69	Low	82.7	Confident	17 Å²	17	53.9 Å²	53.9	18%	0.175	28%	0.28	C	S	.	.			trans	-103.1	160.8	-170.2	0	0	0	0	0	114	A40	A40-G44 PolarHBondContact O-N 2.96Å
45	K	69	Low	83.2	Confident	80 Å²	80	50.5 Å²	50.5	35%	0.348	26%	0.259	S	S	.	.	S	Bend	trans	-75.7	-32.2	174.2	-176.5	-176.3	173	-151.4	0	113.2	G79 E302 C303	K45-G79 PolarHBondContact N-O 3.26Å; K45-G79 VanDerWaalsContact N-O 3.13Å; K45-E302 WeakPolarHBondContact CE-O 3.41Å; K45-E302 PolarHBondContact NZ-O 2.88Å; K45-C303 WeakPolarHBondContact CE-SG 3.44Å; K45-C303 PolarHBondContact NZ-SG 2.91Å
46	Y	76.2	Confident	83.8	Confident	16 Å²	16	47.1 Å²	47.1	6%	0.063	24%	0.238	C	C	.	.	S	Bend	trans	-101.4	132	-170.1	-57.7	-83.3	0	0	0	111.7	F49 L78 L80 P226 E228 A229 H232	Y46-F49 PolarHBondContact O-N 2.99Å; Y46-L78 WeakPolarHBondContact CE2-O 3.36Å; Y46-L78 PolarHBondContact OH-O 2.88Å; Y46-L80 HydrophobicContact CD2-CD2 3.5Å; Y46-L80 VanDerWaalsContact CD2-CD2 3.5Å; Y46-L80 HydrophobicContact CD2-CG 3.99Å; Y46-L80 HydrophobicContact CE2-CD2 4.03Å; Y46-L80 HydrophobicContact CE2-CG 4Å; Y46-L80 HydrophobicContact CG-CD2 4.46Å; Y46-P226 HydrophobicContact CD1-CB 4.08Å; Y46-P226 HydrophobicContact CD1-CG 4.38Å; Y46-P226 HydrophobicContact CD2-CG 4.16Å; Y46-P226 HydrophobicContact CG-CB 4.03Å; Y46-P226 HydrophobicContact CG-CG 3.81Å; Y46-E228 HydrophobicContact CD1-CB 3.87Å; Y46-E228 HydrophobicContact CE1-CB 3.6Å; Y46-A229 HydrophobicContact CD2-CB 4.39Å; Y46-A229 HydrophobicContact CE1-CB 4.14Å; Y46-A229 HydrophobicContact CE2-CB 3.78Å; Y46-H232 PolarHBondContact OH-CD2 2.82Å
47	Q	71.1	Confident	84.4	Confident	168 Å²	168	44.8 Å²	44.8	79%	0.785	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	147.1	171.2	-64.3	-175.1	0.7	0	0	109.5	F49	Q47-F49 PolarHBondContact O-N 3.05Å
48	N	74	Confident	85.1	Confident	116 Å²	116	40 Å²	40	62%	0.62	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	-5.1	179.2	-51.1	-35.1	0	0	0	116.9	R50	N48-R50 WeakPolarHBondContact O-CG 3.42Å; N48-R50 PolarHBondContact O-N 3.3Å
49	F	83.6	Confident	85.6	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.018	19%	0.191	C	C	.	.			trans	-62.1	134.6	167	177.1	-106.1	0	0	0	109.3	A40 Y46 Q47 L80 P81 G123 I125	A40-F49 WeakPolarHBondContact CB-O 3.47Å; Y46-F49 PolarHBondContact O-N 2.99Å; Q47-F49 PolarHBondContact O-N 3.05Å; F49-L80 HydrophobicContact CB-CD2 4.41Å; F49-L80 HydrophobicContact CD1-CD2 4.24Å; F49-L80 HydrophobicContact CD2-CD2 3.57Å; F49-L80 HydrophobicContact CE1-CD2 4.38Å; F49-L80 HydrophobicContact CE2-CD2 3.73Å; F49-L80 HydrophobicContact CG-CD2 3.81Å; F49-L80 HydrophobicContact CZ-CB 4.35Å; F49-L80 HydrophobicContact CZ-CD2 4.11Å; F49-P81 HydrophobicContact CE1-CG 4.46Å; F49-G123 WeakPolarHBondContact CE1-O 3.48Å; F49-I125 HydrophobicContact CE2-CD1 3.69Å; F49-I125 HydrophobicContact CE2-CG1 3.93Å; F49-I125 HydrophobicContact CZ-CD1 3.77Å; F49-I125 HydrophobicContact CZ-CG1 3.71Å
50	R	86.7	Confident	85.9	Confident	44 Å²	44	35.8 Å²	35.8	17%	0.166	19%	0.191	C	C	.	.			trans	-132.6	6.3	-178.6	-58	-65.4	172.7	-110.1	3.4	113.8	R36 E37 N41 N48 G123	R36-R50 PolarHBondContact NE-O 3.25Å; R36-R50 PolarHBondContact NH2-O 3.04Å; E37-R50 VanDerWaalsContact CD-NH2 3.27Å; E37-R50 IonicContact OE1-CZ 2.87Å; E37-R50 IonicContact OE1-NH2 2.74Å; E37-R50 PolarHBondContact OE1-NH2 3.33Å; N41-R50 PolarHBondContact OD1-NH1 3.31Å; N48-R50 WeakPolarHBondContact O-CG 3.42Å; N48-R50 PolarHBondContact O-N 3.3Å; R50-G123 WeakPolarHBondContact O-CA 3.35Å
51	G	90.1	Very high	86.6	Confident	3 Å²	3	36.8 Å²	36.8	3%	0.031	20%	0.201	C	C	.	.			trans	66.9	176.7	-175.7	0	0	0	0	0	114.4	R36 A124	R36-G51 PolarHBondContact NH2-O 3.26Å; G51-A124 VanDerWaalsContact CA-C 3.46Å; G51-A124 WeakPolarHBondContact CA-O 3.26Å
52	C	96.3	Very high	87.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	179.6	176.6	66.1	0	0	0	0	109.7	A124 I125 T126 P151 I224	C52-A124 PolarHBondContact N-O 3.42Å; C52-A124 VanDerWaalsContact N-O 3.17Å; C52-I125 CarbonylContact O-C 3.55Å; C52-I125 WeakPolarHBondContact O-CA 3.44Å; C52-T126 PolarHBondContact O-N 3.39Å; C52-P151 HydrophobicContact CB-CB 3.93Å; C52-I224 HydrophobicContact CB-CD1 3.83Å
53	T	98.4	Very high	88.1	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.4	164.4	-65.4	0	0	0	0	109.8	W55 A128 H145 P151 F152 I153	T53-W55 HydrophobicContact CG2-CE3 4.29Å; T53-A128 HydrophobicContact CG2-CB 4.49Å; T53-H145 WeakPolarHBondContact CB-NE2 3.24Å; T53-H145 PolarHBondContact OG1-CD2 3.09Å; T53-H145 VanDerWaalsContact OG1-CD2 3.24Å; T53-H145 PolarHBondContact OG1-NE2 3.46Å; T53-P151 PolarHBondContact N-O 3.34Å; T53-F152 HydrophobicContact CG2-CD2 3.96Å; T53-F152 HydrophobicContact CG2-CE2 4.02Å; T53-I153 PolarHBondContact O-N 2.94Å
54	I	98.5	Very high	89	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	114.9	166.1	-48.3	-179.7	0	0	0	107.3	F56 L71 I125 T126 L127 A128 I153 C155 V215 L219	I54-F56 HydrophobicContact CB-CE2 4.15Å; I54-F56 HydrophobicContact CB-CZ 4.32Å; I54-F56 HydrophobicContact CG2-CD1 4.42Å; I54-F56 HydrophobicContact CG2-CD2 4.31Å; I54-F56 HydrophobicContact CG2-CE1 3.93Å; I54-F56 HydrophobicContact CG2-CE2 3.79Å; I54-F56 HydrophobicContact CG2-CZ 3.59Å; I54-L71 HydrophobicContact CD1-CD2 4.02Å; I54-I125 HydrophobicContact CD1-CG2 3.97Å; I54-I125 HydrophobicContact CG1-CG2 4.13Å; I54-T126 PolarHBondContact N-O 3.39Å; I54-L127 HydrophobicContact CB-CD2 4.05Å; I54-L127 HydrophobicContact CD1-CD2 3.65Å; I54-L127 HydrophobicContact CG1-CD2 4.08Å; I54-A128 PolarHBondContact O-N 3.37Å; I54-I153 CarbonylContact C-O 3.32Å; I54-I153 WeakPolarHBondContact CA-O 3.27Å; I54-I153 HydrophobicContact CG1-CD1 4.46Å; I54-I153 HydrophobicContact CG2-CG2 4.43Å; I54-C155 HydrophobicContact CG2-CB 3.98Å; I54-V215 HydrophobicContact CD1-CG1 4Å; I54-L219 HydrophobicContact CD1-CD1 3.77Å; I54-L219 HydrophobicContact CD1-CD2 3.79Å; I54-L219 HydrophobicContact CD1-CG 4.18Å; I54-L219 HydrophobicContact CG1-CD2 4.34Å
55	W	98.6	Very high	90.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	97.3	-179.4	-164.9	-81.6	0	0	0	110	T53 T57 I109 A112 A113 A128 F130 S132 A141 F152 I153 C155	T53-W55 HydrophobicContact CG2-CE3 4.29Å; W55-T57 PolarHBondContact O-N 3Å; W55-I109 HydrophobicContact CH2-CG2 3.99Å; W55-I109 HydrophobicContact CZ2-CD1 4.24Å; W55-I109 HydrophobicContact CZ2-CG2 3.75Å; W55-A112 HydrophobicContact CH2-CB 3.91Å; W55-A112 HydrophobicContact CZ3-CB 4.46Å; W55-A113 HydrophobicContact CH2-CB 4.38Å; W55-A113 HydrophobicContact CZ3-CB 4.19Å; W55-A128 CarbonylContact C-O 3.59Å; W55-A128 HydrophobicContact CD2-CB 4.14Å; W55-A128 HydrophobicContact CE3-CB 3.58Å; W55-A128 HydrophobicContact CZ3-CB 3.93Å; W55-F130 AromaticContact CH2-CD2 3.91Å; W55-F130 HydrophobicContact CH2-CD2 3.91Å; W55-F130 HydrophobicContact CH2-CE2 4.31Å; W55-F130 HydrophobicContact CH2-CG 4.41Å; W55-F130 HydrophobicContact CZ2-CB 4.02Å; W55-F130 AromaticContact CZ2-CD2 3.81Å; W55-F130 HydrophobicContact CZ2-CD2 3.81Å; W55-F130 HydrophobicContact CZ2-CG 4.05Å; W55-F130 HydrophobicContact CZ3-CD2 4.41Å; W55-S132 PolarHBondContact NE1-OG 3.36Å; W55-A141 HydrophobicContact CE3-CB 4.35Å; W55-A141 HydrophobicContact CH2-CB 4.2Å; W55-A141 HydrophobicContact CZ2-CB 4.42Å; W55-A141 HydrophobicContact CZ3-CB 4.17Å; W55-F152 HydrophobicContact CB-CE1 4.05Å; W55-F152 HydrophobicContact CB-CE2 3.82Å; W55-F152 HydrophobicContact CB-CZ 3.38Å; W55-F152 HydrophobicContact CD2-CE2 4.16Å; W55-F152 AromaticContact CD2-CZ 3.98Å; W55-F152 HydrophobicContact CD2-CZ 3.98Å; W55-F152 AromaticContact CE3-CE2 3.85Å; W55-F152 HydrophobicContact CE3-CE2 3.85Å; W55-F152 HydrophobicContact CE3-CZ 4.15Å; W55-F152 HydrophobicContact CG-CE2 4.18Å; W55-F152 AromaticContact CG-CZ 3.67Å; W55-F152 HydrophobicContact CG-CZ 3.67Å; W55-I153 PolarHBondContact N-O 3.07Å; W55-C155 PolarHBondContact O-N 2.97Å
56	F	98.4	Very high	91.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	113.2	173.9	-60.2	-77.8	0	0	0	109.7	I54 K64 I67 L71 L127 A128 F130 C155 I157 V215	I54-F56 HydrophobicContact CB-CE2 4.15Å; I54-F56 HydrophobicContact CB-CZ 4.32Å; I54-F56 HydrophobicContact CG2-CD1 4.42Å; I54-F56 HydrophobicContact CG2-CD2 4.31Å; I54-F56 HydrophobicContact CG2-CE1 3.93Å; I54-F56 HydrophobicContact CG2-CE2 3.79Å; I54-F56 HydrophobicContact CG2-CZ 3.59Å; F56-K64 HydrophobicContact CB-CB 4.01Å; F56-K64 HydrophobicContact CB-CD 4.41Å; F56-K64 HydrophobicContact CB-CG 4.03Å; F56-K64 VanDerWaalsContact O-CD 3.28Å; F56-K64 WeakPolarHBondContact O-CD 3.49Å; F56-I67 HydrophobicContact CE1-CG2 4.05Å; F56-I67 HydrophobicContact CZ-CG2 4.46Å; F56-L71 HydrophobicContact CZ-CD2 4.02Å; F56-L127 HydrophobicContact CE2-CB 4.06Å; F56-L127 HydrophobicContact CE2-CD2 3.97Å; F56-L127 HydrophobicContact CZ-CD2 4.4Å; F56-A128 PolarHBondContact N-O 3.49Å; F56-F130 PolarHBondContact O-N 2.88Å; F56-F130 VanDerWaalsContact O-N 3.12Å; F56-C155 WeakPolarHBondContact CA-O 3.11Å; F56-C155 HydrophobicContact CD1-CB 3.74Å; F56-C155 HydrophobicContact CE1-CB 4.01Å; F56-I157 HydrophobicContact CB-CG1 4.43Å; F56-I157 HydrophobicContact CD1-CD1 3.89Å; F56-I157 HydrophobicContact CD1-CG1 4.26Å; F56-V215 HydrophobicContact CE1-CG2 4.3Å
57	T	97.7	Very high	92.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	148.9	177	-172	0	0	0	0	111.1	W55 I131 S132 R138 E154 C155 Y156 I157 Y191 P194	W55-T57 PolarHBondContact O-N 3Å; T57-I131 PolarHBondContact OG1-O 2.95Å; T57-S132 WeakPolarHBondContact CB-OG 3.41Å; T57-S132 PolarHBondContact OG1-O 2.82Å; T57-S132 PolarHBondContact OG1-OG 3.11Å; T57-R138 WeakPolarHBondContact OG1-CD 3.46Å; T57-E154 HydrophobicContact CG2-CG 4.24Å; T57-C155 PolarHBondContact N-O 3.49Å; T57-Y156 HydrophobicContact CG2-CD2 4.27Å; T57-I157 PolarHBondContact O-N 3.45Å; T57-Y191 PolarHBondContact OG1-OH 3.38Å; T57-P194 HydrophobicContact CG2-CG 3.73Å
58	G	96.3	Very high	93.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.108	C	C	.	.			trans	155.5	171	-178.2	0	0	0	0	0	113.1	K64 Y191	G58-K64 PolarHBondContact O-NZ 2.81Å; G58-Y191 VanDerWaalsContact CA-OH 3.26Å; G58-Y191 WeakPolarHBondContact CA-OH 3.46Å; G58-Y191 PolarHBondContact N-OH 2.96Å; G58-Y191 VanDerWaalsContact N-OH 3.08Å
59	L	95.1	Very high	94.1	Very high	20 Å²	20	16.8 Å²	16.8	11%	0.105	10%	0.096	C	C	.	.	S	Bend	trans	-58.7	154.7	179.1	-65.3	175.9	0	0	0	113.3	G61 S62 K64 L161 T185 Y191	L59-G61 PolarHBondContact O-N 2.97Å; L59-S62 WeakPolarHBondContact O-CB 3.25Å; L59-S62 PolarHBondContact O-N 3.13Å; L59-S62 VanDerWaalsContact O-N 3.1Å; L59-S62 PolarHBondContact O-OG 3.12Å; L59-K64 PolarHBondContact O-NZ 2.81Å; L59-L161 HydrophobicContact CD1-CB 4.03Å; L59-L161 HydrophobicContact CD1-CD1 4.05Å; L59-T185 HydrophobicContact CD2-CG2 4.2Å; L59-Y191 HydrophobicContact CD2-CD2 4.08Å; L59-Y191 HydrophobicContact CD2-CG 3.91Å
60	S	92.9	Very high	94.1	Very high	19 Å²	19	17.5 Å²	17.5	13%	0.133	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	139.6	171.1	-172.9	0	0	0	0	110.2	S62 C164 Y173	S60-S62 PolarHBondContact O-N 2.76Å; S60-C164 WeakPolarHBondContact O-CB 3.47Å; S60-Y173 VanDerWaalsContact O-CE2 3.32Å; S60-Y173 WeakPolarHBondContact O-CE2 3.43Å; S60-Y173 PolarHBondContact O-OH 2.84Å
61	G	92.2	Very high	94.4	Very high	20 Å²	20	15.4 Å²	15.4	21%	0.206	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	2.2	-177.4	0	0	0	0	0	116.3	L59 G63	L59-G61 PolarHBondContact O-N 2.97Å; G61-G63 PolarHBondContact O-N 2.92Å
62	S	94.9	Very high	94.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-66.5	-20.3	177	70.6	0	0	0	0	114.2	L59 S60 K64 I157 T159 R167 A203	L59-S62 WeakPolarHBondContact O-CB 3.25Å; L59-S62 PolarHBondContact O-N 3.13Å; L59-S62 VanDerWaalsContact O-N 3.1Å; L59-S62 PolarHBondContact O-OG 3.12Å; S60-S62 PolarHBondContact O-N 2.76Å; S62-K64 PolarHBondContact OG-NZ 2.85Å; S62-I157 WeakPolarHBondContact O-CG2 3.36Å; S62-T159 PolarHBondContact O-OG1 2.88Å; S62-R167 PolarHBondContact O-NH1 3.27Å; S62-A203 WeakPolarHBondContact O-CB 3.3Å
63	G	93.4	Very high	93.9	Very high	14 Å²	14	24.4 Å²	24.4	14%	0.144	14%	0.136	C	C	.	.	S	Bend	trans	108.6	7.8	178.9	0	0	0	0	0	115.4	G61 T65 T66 I67	G61-G63 PolarHBondContact O-N 2.92Å; G63-T65 PolarHBondContact O-N 2.75Å; G63-T66 WeakPolarHBondContact O-CB 3.49Å; G63-T66 PolarHBondContact O-N 2.71Å; G63-I67 WeakPolarHBondContact O-CG1 3.22Å; G63-I67 PolarHBondContact O-N 3.37Å
64	K	96.4	Very high	92.9	Very high	14 Å²	14	26.9 Å²	26.9	6%	0.061	15%	0.149	C	C	.	.	H	α-helix	trans	-46.2	-62.6	176.7	-65.4	177.8	-66.5	-65.7	0	113.5	F56 G58 L59 S62 T66 I67 S68 F130 I157	F56-K64 HydrophobicContact CB-CB 4.01Å; F56-K64 HydrophobicContact CB-CD 4.41Å; F56-K64 HydrophobicContact CB-CG 4.03Å; F56-K64 VanDerWaalsContact O-CD 3.28Å; F56-K64 WeakPolarHBondContact O-CD 3.49Å; G58-K64 PolarHBondContact O-NZ 2.81Å; L59-K64 PolarHBondContact O-NZ 2.81Å; S62-K64 PolarHBondContact OG-NZ 2.85Å; K64-T66 VanDerWaalsContact C-N 3.28Å; K64-T66 PolarHBondContact O-N 2.68Å; K64-I67 PolarHBondContact O-N 3.27Å; K64-S68 VanDerWaalsContact O-CB 3.27Å; K64-S68 WeakPolarHBondContact O-CB 3.32Å; K64-S68 PolarHBondContact O-N 2.89Å; K64-F130 WeakPolarHBondContact CD-O 3.27Å; K64-F130 VanDerWaalsContact CE-O 3.27Å; K64-F130 WeakPolarHBondContact CE-O 3.5Å; K64-I157 HydrophobicContact CB-CG1 4.48Å; K64-I157 HydrophobicContact CG-CB 4.11Å; K64-I157 HydrophobicContact CG-CG1 3.74Å
65	T	94	Very high	92.5	Very high	39 Å²	39	26.9 Å²	26.9	24%	0.239	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-37.2	-176.8	-45.2	0	0	0	0	111.4	G63 S68 F69 D86	G63-T65 PolarHBondContact O-N 2.75Å; T65-S68 PolarHBondContact O-N 2.88Å; T65-F69 HydrophobicContact CG2-CD2 3.82Å; T65-F69 HydrophobicContact CG2-CE1 4.2Å; T65-F69 HydrophobicContact CG2-CE2 3.39Å; T65-F69 HydrophobicContact CG2-CG 4.4Å; T65-F69 HydrophobicContact CG2-CZ 3.6Å; T65-F69 WeakPolarHBondContact O-CG 3.32Å; T65-F69 PolarHBondContact O-N 3.5Å; T65-D86 HydrophobicContact CG2-CB 4.37Å; T65-D86 WeakPolarHBondContact CG2-OD1 3.47Å; T65-D86 PolarHBondContact OG1-OD1 3.41Å
66	T	91.6	Very high	91.8	Very high	86 Å²	86	30 Å²	30	53%	0.528	17%	0.17	S	C	.	.	H	α-helix	trans	-62.8	-47.5	176.6	-50.1	0	0	0	0	111.9	G63 K64 A70 L208	G63-T66 WeakPolarHBondContact O-CB 3.49Å; G63-T66 PolarHBondContact O-N 2.71Å; K64-T66 VanDerWaalsContact C-N 3.28Å; K64-T66 PolarHBondContact O-N 2.68Å; T66-A70 WeakPolarHBondContact O-CB 3.09Å; T66-A70 PolarHBondContact O-N 3.1Å; T66-A70 VanDerWaalsContact O-N 3.13Å; T66-L208 HydrophobicContact CG2-CD1 3.94Å; T66-L208 HydrophobicContact CG2-CD2 3.85Å
67	I	94.4	Very high	90.4	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.015	20%	0.199	C	C	.	.	H	α-helix	trans	-67.1	-43.9	177.7	-66.9	163.3	0	0	0	110.4	F56 G63 K64 A70 L71 I157 I201 A203 L208 C211 V212 V215	F56-I67 HydrophobicContact CE1-CG2 4.05Å; F56-I67 HydrophobicContact CZ-CG2 4.46Å; G63-I67 WeakPolarHBondContact O-CG1 3.22Å; G63-I67 PolarHBondContact O-N 3.37Å; K64-I67 PolarHBondContact O-N 3.27Å; I67-A70 PolarHBondContact O-N 2.77Å; I67-L71 VanDerWaalsContact O-CB 3.28Å; I67-L71 WeakPolarHBondContact O-CB 3.06Å; I67-L71 PolarHBondContact O-N 2.73Å; I67-I157 HydrophobicContact CD1-CD1 3.84Å; I67-I157 HydrophobicContact CD1-CG2 4.33Å; I67-I201 HydrophobicContact CD1-CG2 4.03Å; I67-A203 HydrophobicContact CD1-CB 3.86Å; I67-L208 HydrophobicContact CB-CD1 4.3Å; I67-L208 HydrophobicContact CG1-CD1 3.67Å; I67-C211 HydrophobicContact CD1-CB 3.86Å; I67-C211 HydrophobicContact CG1-CB 4.04Å; I67-V212 HydrophobicContact CG2-CG2 4.21Å; I67-V215 HydrophobicContact CG2-CG2 4.5Å
68	S	96.3	Very high	89.4	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-55.2	-54.4	177.5	176.6	0	0	0	0	111.7	K64 T65 A70 L71 E72 L127 S129	K64-S68 VanDerWaalsContact O-CB 3.27Å; K64-S68 WeakPolarHBondContact O-CB 3.32Å; K64-S68 PolarHBondContact O-N 2.89Å; T65-S68 PolarHBondContact O-N 2.88Å; S68-A70 PolarHBondContact O-N 2.74Å; S68-L71 PolarHBondContact O-N 3Å; S68-E72 WeakPolarHBondContact O-CB 3.46Å; S68-E72 PolarHBondContact O-N 3.22Å; S68-L127 VanDerWaalsContact O-CD1 3.31Å; S68-L127 WeakPolarHBondContact O-CD1 3.3Å; S68-L127 WeakPolarHBondContact OG-CB 3.41Å; S68-L127 PolarHBondContact OG-O 3.42Å; S68-S129 WeakPolarHBondContact CB-OG 3.43Å; S68-S129 PolarHBondContact OG-OG 3.37Å
69	F	90.9	Very high	88.5	Confident	85 Å²	85	36.4 Å²	36.4	37%	0.373	22%	0.218	S	C	.	.	H	α-helix	trans	-70	-32.8	-178.5	-66	-15.5	0	0	0	113.2	T65 E72 Q73 D86	T65-F69 HydrophobicContact CG2-CD2 3.82Å; T65-F69 HydrophobicContact CG2-CE1 4.2Å; T65-F69 HydrophobicContact CG2-CE2 3.39Å; T65-F69 HydrophobicContact CG2-CG 4.4Å; T65-F69 HydrophobicContact CG2-CZ 3.6Å; T65-F69 WeakPolarHBondContact O-CG 3.32Å; T65-F69 PolarHBondContact O-N 3.5Å; F69-E72 WeakPolarHBondContact CD1-OE2 3.34Å; F69-E72 WeakPolarHBondContact O-CB 3.47Å; F69-E72 PolarHBondContact O-N 3.38Å; F69-Q73 PolarHBondContact O-N 2.87Å; F69-D86 HydrophobicContact CZ-CB 4.42Å
70	A	84	Confident	88.2	Confident	19 Å²	19	35.5 Å²	35.5	16%	0.157	21%	0.214	C	C	.	.	H	α-helix	trans	-65.7	-40.6	172.9	0	0	0	0	0	111.8	T66 I67 S68 I74 L208 V212	T66-A70 WeakPolarHBondContact O-CB 3.09Å; T66-A70 PolarHBondContact O-N 3.1Å; T66-A70 VanDerWaalsContact O-N 3.13Å; I67-A70 PolarHBondContact O-N 2.77Å; S68-A70 PolarHBondContact O-N 2.74Å; A70-I74 PolarHBondContact O-N 3.5Å; A70-L208 HydrophobicContact CB-CD1 4.06Å; A70-L208 HydrophobicContact CB-CD2 4.11Å; A70-L208 HydrophobicContact CB-CG 4.23Å; A70-V212 HydrophobicContact CB-CG2 3.83Å
71	L	91.8	Very high	88.1	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.5	-42.1	174.3	178.7	62.8	0	0	0	111.5	I54 F56 I67 S68 Q73 I74 L75 L127 V212 V215 L216	I54-L71 HydrophobicContact CD1-CD2 4.02Å; F56-L71 HydrophobicContact CZ-CD2 4.02Å; I67-L71 VanDerWaalsContact O-CB 3.28Å; I67-L71 WeakPolarHBondContact O-CB 3.06Å; I67-L71 PolarHBondContact O-N 2.73Å; S68-L71 PolarHBondContact O-N 3Å; L71-Q73 VanDerWaalsContact C-N 3.33Å; L71-Q73 PolarHBondContact O-N 3.41Å; L71-I74 PolarHBondContact O-N 2.75Å; L71-L75 HydrophobicContact CD1-CD1 4.11Å; L71-L75 HydrophobicContact CD1-CG 4.06Å; L71-L75 HydrophobicContact CD2-CD1 4.44Å; L71-L75 HydrophobicContact CG-CD1 3.83Å; L71-L75 HydrophobicContact CG-CG 4.24Å; L71-L75 WeakPolarHBondContact O-CG 3.31Å; L71-L75 PolarHBondContact O-N 3.05Å; L71-L127 HydrophobicContact CB-CD1 4.4Å; L71-L127 HydrophobicContact CD2-CD1 4.47Å; L71-L127 HydrophobicContact CD2-CD2 3.75Å; L71-L127 HydrophobicContact CG-CD1 4.33Å; L71-L127 HydrophobicContact CG-CD2 4.39Å; L71-V212 HydrophobicContact CB-CG1 4.23Å; L71-V212 HydrophobicContact CD1-CG1 3.99Å; L71-V215 HydrophobicContact CD2-CB 4.17Å; L71-V215 HydrophobicContact CD2-CG1 3.5Å; L71-L216 HydrophobicContact CD1-CD1 4.32Å; L71-L216 HydrophobicContact CD1-CD2 3.45Å; L71-L216 VanDerWaalsContact CD1-CD2 3.45Å; L71-L216 HydrophobicContact CD1-CG 3.63Å
72	E	93.5	Very high	88.2	Confident	43 Å²	43	35.7 Å²	35.7	20%	0.201	21%	0.212	C	C	.	.	H	α-helix	trans	-54.7	-48.6	175.5	-171.5	176.2	-150.9	0	0	111.4	S68 F69 I74 L75 C76 A82 Y83 G84 L127	S68-E72 WeakPolarHBondContact O-CB 3.46Å; S68-E72 PolarHBondContact O-N 3.22Å; F69-E72 WeakPolarHBondContact CD1-OE2 3.34Å; F69-E72 WeakPolarHBondContact O-CB 3.47Å; F69-E72 PolarHBondContact O-N 3.38Å; E72-I74 VanDerWaalsContact C-N 3.31Å; E72-I74 PolarHBondContact O-N 3.44Å; E72-L75 PolarHBondContact O-N 3.27Å; E72-C76 WeakPolarHBondContact O-CB 3.39Å; E72-C76 PolarHBondContact O-N 3.38Å; E72-C76 PolarHBondContact O-SG 3.41Å; E72-A82 HydrophobicContact CG-CB 4.36Å; E72-Y83 VanDerWaalsContact OE1-CA 3.31Å; E72-Y83 WeakPolarHBondContact OE1-CA 3.24Å; E72-G84 PolarHBondContact OE1-N 2.64Å; E72-L127 HydrophobicContact CB-CD1 3.66Å; E72-L127 HydrophobicContact CG-CD1 4.35Å
73	Q	82.3	Confident	88.3	Confident	149 Å²	149	41.3 Å²	41.3	70%	0.696	23%	0.234	S	C	*	.	H	α-helix	trans	-57.8	-45.2	178.2	-174.3	179.3	7.3	0	0	111.3	F69 L71 S77	F69-Q73 PolarHBondContact O-N 2.87Å; L71-Q73 VanDerWaalsContact C-N 3.33Å; L71-Q73 PolarHBondContact O-N 3.41Å; Q73-S77 VanDerWaalsContact O-CB 3.27Å; Q73-S77 WeakPolarHBondContact O-CB 3.46Å; Q73-S77 PolarHBondContact O-N 3.24Å; Q73-S77 PolarHBondContact O-OG 2.9Å
74	I	78.7	Confident	88.4	Confident	53 Å²	53	41 Å²	41	27%	0.272	23%	0.231	S	C	.	.	H	α-helix	trans	-65.6	-51.2	178.9	-70.9	165.1	0	0	0	110.8	A70 L71 E72 C76 S77 L78 V212 L216 L233	A70-I74 PolarHBondContact O-N 3.5Å; L71-I74 PolarHBondContact O-N 2.75Å; E72-I74 VanDerWaalsContact C-N 3.31Å; E72-I74 PolarHBondContact O-N 3.44Å; I74-C76 PolarHBondContact O-N 3.14Å; I74-S77 PolarHBondContact O-N 2.94Å; I74-S77 PolarHBondContact O-OG 3.48Å; I74-L78 HydrophobicContact CG2-CD1 4.14Å; I74-L78 WeakPolarHBondContact O-CG 3.12Å; I74-L78 PolarHBondContact O-N 2.59Å; I74-L78 VanDerWaalsContact O-N 3.13Å; I74-V212 HydrophobicContact CD1-CG1 3.55Å; I74-L216 HydrophobicContact CD1-CD1 4.47Å; I74-L216 HydrophobicContact CG2-CD1 4.11Å; I74-L216 HydrophobicContact CG2-CD2 4.45Å; I74-L233 HydrophobicContact CG2-CD2 3.42Å; I74-L233 VanDerWaalsContact CG2-CD2 3.42Å
75	L	88.5	Confident	88.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.8	-48.2	-179.8	-68.7	172.3	0	0	0	111.6	L71 E72 S77 L78 G79 L80 A82 I125 L127 L216 F225	L71-L75 HydrophobicContact CD1-CD1 4.11Å; L71-L75 HydrophobicContact CD1-CG 4.06Å; L71-L75 HydrophobicContact CD2-CD1 4.44Å; L71-L75 HydrophobicContact CG-CD1 3.83Å; L71-L75 HydrophobicContact CG-CG 4.24Å; L71-L75 WeakPolarHBondContact O-CG 3.31Å; L71-L75 PolarHBondContact O-N 3.05Å; E72-L75 PolarHBondContact O-N 3.27Å; L75-S77 VanDerWaalsContact C-N 3.33Å; L75-S77 PolarHBondContact O-N 2.93Å; L75-L78 PolarHBondContact O-N 3.22Å; L75-L78 VanDerWaalsContact O-N 3.1Å; L75-G79 PolarHBondContact O-N 3.33Å; L75-L80 CarbonylContact C-O 3.51Å; L75-L80 VanDerWaalsContact C-O 3.25Å; L75-L80 HydrophobicContact CB-CB 4.22Å; L75-L80 HydrophobicContact CD2-CB 4.33Å; L75-L80 HydrophobicContact CD2-CD1 3.82Å; L75-L80 WeakPolarHBondContact O-CB 3.43Å; L75-L80 PolarHBondContact O-N 3.39Å; L75-A82 HydrophobicContact CB-CB 3.8Å; L75-A82 HydrophobicContact CD1-CB 3.74Å; L75-A82 HydrophobicContact CG-CB 4.44Å; L75-I125 HydrophobicContact CD1-CB 4.25Å; L75-I125 HydrophobicContact CD1-CD1 3.7Å; L75-I125 HydrophobicContact CD1-CG2 4.04Å; L75-I125 HydrophobicContact CD2-CD1 3.92Å; L75-I125 HydrophobicContact CG-CD1 4.42Å; L75-L127 HydrophobicContact CD1-CD1 4.43Å; L75-L216 HydrophobicContact CD2-CD2 4.02Å; L75-F225 HydrophobicContact CD2-CD2 3.98Å; L75-F225 HydrophobicContact CD2-CE2 3.72Å
76	C	84.5	Confident	88.4	Confident	65 Å²	65	39.7 Å²	39.7	44%	0.439	22%	0.223	S	C	.	.	H	α-helix	trans	-63.9	-38.3	178.7	-66.7	0	0	0	0	111.9	E72 I74 L78 G79 L80	E72-C76 WeakPolarHBondContact O-CB 3.39Å; E72-C76 PolarHBondContact O-N 3.38Å; E72-C76 PolarHBondContact O-SG 3.41Å; I74-C76 PolarHBondContact O-N 3.14Å; C76-L78 PolarHBondContact O-N 3.24Å; C76-G79 PolarHBondContact O-N 3.2Å; C76-L80 PolarHBondContact N-O 2.83Å
77	S	69.9	Low	88.3	Confident	87 Å²	87	36.2 Å²	36.2	61%	0.608	20%	0.204	S	C	*	.	H	α-helix	trans	-63.4	-25.8	175.9	77.9	0	0	0	0	113.4	Q73 I74 L75	Q73-S77 VanDerWaalsContact O-CB 3.27Å; Q73-S77 WeakPolarHBondContact O-CB 3.46Å; Q73-S77 PolarHBondContact O-N 3.24Å; Q73-S77 PolarHBondContact O-OG 2.9Å; I74-S77 PolarHBondContact O-N 2.94Å; I74-S77 PolarHBondContact O-OG 3.48Å; L75-S77 VanDerWaalsContact C-N 3.33Å; L75-S77 PolarHBondContact O-N 2.93Å
78	L	75.8	Confident	87.9	Confident	19 Å²	19	39.4 Å²	39.4	10%	0.099	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-5.6	175.7	-63.8	177.6	0	0	0	112.9	Y46 I74 L75 C76 L80 F225 H232 L233	Y46-L78 WeakPolarHBondContact CE2-O 3.36Å; Y46-L78 PolarHBondContact OH-O 2.88Å; I74-L78 HydrophobicContact CG2-CD1 4.14Å; I74-L78 WeakPolarHBondContact O-CG 3.12Å; I74-L78 PolarHBondContact O-N 2.59Å; I74-L78 VanDerWaalsContact O-N 3.13Å; L75-L78 PolarHBondContact O-N 3.22Å; L75-L78 VanDerWaalsContact O-N 3.1Å; C76-L78 PolarHBondContact O-N 3.24Å; L78-L80 HydrophobicContact CB-CD1 4.37Å; L78-F225 HydrophobicContact CD1-CE2 4.02Å; L78-F225 HydrophobicContact CD1-CZ 3.6Å; L78-H232 HydrophobicContact CD2-CB 3.43Å; L78-H232 VanDerWaalsContact CD2-CB 3.43Å; L78-L233 HydrophobicContact CD1-CD2 3.92Å; L78-L233 HydrophobicContact CD1-CG 3.97Å
79	G	78.5	Confident	87.6	Confident	30 Å²	30	44.4 Å²	44.4	31%	0.309	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	23.3	-174.4	0	0	0	0	0	113.6	K45 L75 C76 P81	K45-G79 PolarHBondContact N-O 3.26Å; K45-G79 VanDerWaalsContact N-O 3.13Å; L75-G79 PolarHBondContact O-N 3.33Å; C76-G79 PolarHBondContact O-N 3.2Å; G79-P81 WeakPolarHBondContact O-CD 3.31Å
80	L	87.6	Confident	87.6	Confident	1 Å²	1	41 Å²	41	1%	0.005	23%	0.233	C	C	.	.			trans	-97.8	110.9	169.6	-65.5	165.1	0	0	0	108.5	Y46 F49 L75 C76 L78 A82 F225 P226 A229	Y46-L80 HydrophobicContact CD2-CD2 3.5Å; Y46-L80 VanDerWaalsContact CD2-CD2 3.5Å; Y46-L80 HydrophobicContact CD2-CG 3.99Å; Y46-L80 HydrophobicContact CE2-CD2 4.03Å; Y46-L80 HydrophobicContact CE2-CG 4Å; Y46-L80 HydrophobicContact CG-CD2 4.46Å; F49-L80 HydrophobicContact CB-CD2 4.41Å; F49-L80 HydrophobicContact CD1-CD2 4.24Å; F49-L80 HydrophobicContact CD2-CD2 3.57Å; F49-L80 HydrophobicContact CE1-CD2 4.38Å; F49-L80 HydrophobicContact CE2-CD2 3.73Å; F49-L80 HydrophobicContact CG-CD2 3.81Å; F49-L80 HydrophobicContact CZ-CB 4.35Å; F49-L80 HydrophobicContact CZ-CD2 4.11Å; L75-L80 CarbonylContact C-O 3.51Å; L75-L80 VanDerWaalsContact C-O 3.25Å; L75-L80 HydrophobicContact CB-CB 4.22Å; L75-L80 HydrophobicContact CD2-CB 4.33Å; L75-L80 HydrophobicContact CD2-CD1 3.82Å; L75-L80 WeakPolarHBondContact O-CB 3.43Å; L75-L80 PolarHBondContact O-N 3.39Å; C76-L80 PolarHBondContact N-O 2.83Å; L78-L80 HydrophobicContact CB-CD1 4.37Å; L80-A82 PolarHBondContact O-N 3.45Å; L80-A82 VanDerWaalsContact O-N 3.15Å; L80-F225 HydrophobicContact CD1-CD2 3.62Å; L80-F225 HydrophobicContact CD1-CE2 3.27Å; L80-F225 HydrophobicContact CD1-CZ 4.16Å; L80-P226 HydrophobicContact CD2-CG 4.1Å; L80-A229 HydrophobicContact CD1-CB 3.95Å
81	P	91.6	Very high	88	Confident	30 Å²	30	42.6 Å²	42.6	20%	0.195	24%	0.235	C	C	.	.			trans	-56.4	120.4	177.9	-24.5	31.6	0	0	0	111.1	L43 F49 G79 A124 I125	L43-P81 HydrophobicContact CB-CG 3.96Å; L43-P81 WeakPolarHBondContact O-CG 3.38Å; F49-P81 HydrophobicContact CE1-CG 4.46Å; G79-P81 WeakPolarHBondContact O-CD 3.31Å; P81-A124 HydrophobicContact CB-CB 3.95Å; P81-A124 CarbonylContact O-C 3.58Å; P81-A124 WeakPolarHBondContact O-CA 3.16Å; P81-I125 PolarHBondContact O-N 3.06Å
82	A	94.6	Very high	87.9	Confident	12 Å²	12	49.9 Å²	49.9	10%	0.099	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.7	175	0	0	0	0	0	110	E72 L75 L80 I125 L127	E72-A82 HydrophobicContact CG-CB 4.36Å; L75-A82 HydrophobicContact CB-CB 3.8Å; L75-A82 HydrophobicContact CD1-CB 3.74Å; L75-A82 HydrophobicContact CG-CB 4.44Å; L80-A82 PolarHBondContact O-N 3.45Å; L80-A82 VanDerWaalsContact O-N 3.15Å; A82-I125 CarbonylContact C-O 3.55Å; A82-I125 WeakPolarHBondContact CA-O 3.37Å; A82-I125 HydrophobicContact CB-CB 4.22Å; A82-L127 HydrophobicContact CB-CD1 4.36Å
83	Y	96.1	Very high	87.8	Confident	119 Å²	119	49.8 Å²	49.8	47%	0.467	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	124.3	177.2	-164	-93.9	0	0	0	111.7	E72 L85 F119 I125 L127	E72-Y83 VanDerWaalsContact OE1-CA 3.31Å; E72-Y83 WeakPolarHBondContact OE1-CA 3.24Å; Y83-L85 HydrophobicContact CD1-CD2 3.73Å; Y83-L85 HydrophobicContact CD1-CG 4.4Å; Y83-L85 HydrophobicContact CE1-CD2 3.72Å; Y83-F119 HydrophobicContact CD1-CE1 4.33Å; Y83-F119 HydrophobicContact CD1-CE2 4.22Å; Y83-F119 AromaticContact CD1-CZ 3.96Å; Y83-F119 HydrophobicContact CD1-CZ 3.96Å; Y83-F119 HydrophobicContact CE1-CZ 4.22Å; Y83-F119 HydrophobicContact CG-CE1 4.24Å; Y83-F119 HydrophobicContact CG-CZ 4.32Å; Y83-I125 PolarHBondContact N-O 3.19Å; Y83-L127 PolarHBondContact O-N 2.81Å
84	G	96.5	Very high	88.1	Confident	8 Å²	8	46.9 Å²	46.9	8%	0.082	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.7	176.4	0	0	0	0	0	113.2	E72	E72-G84 PolarHBondContact OE1-N 2.64Å
85	L	96.3	Very high	88.8	Confident	10 Å²	10	44.4 Å²	44.4	5%	0.052	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.7	167.9	-60	-179.9	0	0	0	109.4	Y83 M90 V115 S116 F119 T126 L127 S129 F130	Y83-L85 HydrophobicContact CD1-CD2 3.73Å; Y83-L85 HydrophobicContact CD1-CG 4.4Å; Y83-L85 HydrophobicContact CE1-CD2 3.72Å; L85-M90 HydrophobicContact CD2-SD 4.36Å; L85-V115 HydrophobicContact CD1-CB 4.42Å; L85-V115 HydrophobicContact CD1-CG1 3.87Å; L85-V115 HydrophobicContact CD2-CG1 4.31Å; L85-S116 WeakPolarHBondContact CD1-OG 3.43Å; L85-F119 HydrophobicContact CD2-CE2 4.28Å; L85-T126 HydrophobicContact CD1-CG2 3.47Å; L85-T126 VanDerWaalsContact CD1-CG2 3.47Å; L85-T126 HydrophobicContact CG-CG2 3.84Å; L85-L127 PolarHBondContact N-O 2.86Å; L85-S129 PolarHBondContact O-N 2.81Å; L85-F130 HydrophobicContact CB-CE2 4.22Å; L85-F130 HydrophobicContact CB-CZ 4.36Å
86	D	93.1	Very high	89	Confident	15 Å²	15	48.3 Å²	48.3	8%	0.08	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.4	176.9	-179.8	86.5	0	0	0	110.6	T65 F69 D88 N89 M90	T65-D86 HydrophobicContact CG2-CB 4.37Å; T65-D86 WeakPolarHBondContact CG2-OD1 3.47Å; T65-D86 PolarHBondContact OG1-OD1 3.41Å; F69-D86 HydrophobicContact CZ-CB 4.42Å; D86-D88 VanDerWaalsContact C-N 3.26Å; D86-D88 PolarHBondContact O-N 3.45Å; D86-D88 WeakPolarHBondContact OD2-CB 3.46Å; D86-D88 PolarHBondContact OD2-N 3Å; D86-N89 PolarHBondContact O-N 3.08Å; D86-M90 WeakPolarHBondContact O-CG 3.32Å; D86-M90 PolarHBondContact O-N 3.03Å
87	G	88.8	Confident	89.5	Confident	12 Å²	12	50.3 Å²	50.3	12%	0.124	29%	0.289	C	S	.	.	H	α-helix	trans	-56	-35.3	-178.2	0	0	0	0	0	114.6	R91 S129	G87-R91 VanDerWaalsContact O-CG 3.31Å; G87-R91 WeakPolarHBondContact O-CG 3.4Å; G87-R91 PolarHBondContact O-N 3.09Å; G87-S129 PolarHBondContact N-O 3.21Å
88	D	87.7	Confident	90.5	Very high	70 Å²	70	47 Å²	47	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-73.6	-43	179.2	-70	-6.9	0	0	0	110.8	D86 M90 R91 H92 K170	D86-D88 VanDerWaalsContact C-N 3.26Å; D86-D88 PolarHBondContact O-N 3.45Å; D86-D88 WeakPolarHBondContact OD2-CB 3.46Å; D86-D88 PolarHBondContact OD2-N 3Å; D88-M90 VanDerWaalsContact C-N 3.31Å; D88-M90 PolarHBondContact O-N 3.14Å; D88-R91 PolarHBondContact O-N 3.07Å; D88-R91 VanDerWaalsContact O-N 3.14Å; D88-H92 PolarHBondContact O-N 3.37Å; D88-H92 PolarHBondContact O-ND1 2.75Å; D88-K170 IonicContact OD1-NZ 3.37Å; D88-K170 WeakPolarHBondContact OD2-CE 3.37Å; D88-K170 IonicContact OD2-NZ 3.75Å; D88-K170 PolarHBondContact OD2-NZ 3.33Å
89	N	88.8	Confident	91.1	Very high	106 Å²	106	47.5 Å²	47.5	57%	0.567	27%	0.274	S	S	*	.	H	α-helix	trans	-62.3	-40.4	177.8	-72.5	-17.4	0	0	0	111.5	D86 R91 H92	D86-N89 PolarHBondContact O-N 3.08Å; N89-R91 VanDerWaalsContact C-N 3.29Å; N89-R91 PolarHBondContact O-N 3.36Å; N89-H92 PolarHBondContact O-N 3.32Å
90	M	91.6	Very high	91.5	Very high	13 Å²	13	52.8 Å²	52.8	6%	0.064	29%	0.288	C	S	.	.	H	α-helix	trans	-60.7	-38.6	175.1	-71.5	-66.6	-69.3	0	0	112.2	L85 D86 D88 H92 G93 I94 C95 A112 V115 F130	L85-M90 HydrophobicContact CD2-SD 4.36Å; D86-M90 WeakPolarHBondContact O-CG 3.32Å; D86-M90 PolarHBondContact O-N 3.03Å; D88-M90 VanDerWaalsContact C-N 3.31Å; D88-M90 PolarHBondContact O-N 3.14Å; M90-H92 VanDerWaalsContact C-N 3.29Å; M90-H92 PolarHBondContact O-N 3.32Å; M90-G93 CarbonylContact O-C 3.53Å; M90-G93 PolarHBondContact O-N 3.43Å; M90-I94 HydrophobicContact CE-CB 4.01Å; M90-I94 HydrophobicContact CE-CD1 4.06Å; M90-I94 HydrophobicContact CE-CG2 4.03Å; M90-I94 PolarHBondContact O-N 3.44Å; M90-I94 HydrophobicContact SD-CD1 4.33Å; M90-C95 WeakPolarHBondContact O-CB 3.48Å; M90-C95 PolarHBondContact O-N 2.79Å; M90-A112 HydrophobicContact CE-CB 4.36Å; M90-V115 HydrophobicContact CE-CB 4.42Å; M90-V115 HydrophobicContact CE-CG2 4.15Å; M90-F130 HydrophobicContact CG-CE1 4.23Å; M90-F130 HydrophobicContact CG-CZ 3.94Å
91	R	91.8	Very high	91.6	Very high	52 Å²	52	55.1 Å²	55.1	20%	0.196	31%	0.305	C	S	.	.	H	α-helix	trans	-69.6	-17.7	178.4	-75.3	176.6	179.6	-79.3	0.6	114.4	G87 D88 N89 C95 S96 L98 G99 F100	G87-R91 VanDerWaalsContact O-CG 3.31Å; G87-R91 WeakPolarHBondContact O-CG 3.4Å; G87-R91 PolarHBondContact O-N 3.09Å; D88-R91 PolarHBondContact O-N 3.07Å; D88-R91 VanDerWaalsContact O-N 3.14Å; N89-R91 VanDerWaalsContact C-N 3.29Å; N89-R91 PolarHBondContact O-N 3.36Å; R91-C95 HydrophobicContact CG-CB 4.33Å; R91-S96 WeakPolarHBondContact O-CA 3.24Å; R91-S96 PolarHBondContact O-N 3.14Å; R91-L98 PolarHBondContact NH1-O 3.48Å; R91-G99 PolarHBondContact NH1-O 3.39Å; R91-F100 VanDerWaalsContact CZ-CE1 3.48Å
92	H	89.7	Confident	91.3	Very high	154 Å²	154	60.1 Å²	60.1	71%	0.713	33%	0.326	S	S	*	.	H	α-helix	trans	-79.8	-21.1	172.9	-69	85.8	0	0	0	113	D88 N89 M90	D88-H92 PolarHBondContact O-N 3.37Å; D88-H92 PolarHBondContact O-ND1 2.75Å; N89-H92 PolarHBondContact O-N 3.32Å; M90-H92 VanDerWaalsContact C-N 3.29Å; M90-H92 PolarHBondContact O-N 3.32Å
93	G	90.6	Very high	91.2	Very high	41 Å²	41	65.7 Å²	65.7	42%	0.423	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-97.4	-175.4	0	0	0	0	0	112.5	M90 C95 S96	M90-G93 CarbonylContact O-C 3.53Å; M90-G93 PolarHBondContact O-N 3.43Å; G93-C95 PolarHBondContact O-N 2.54Å; G93-S96 VanDerWaalsContact O-CB 3.27Å; G93-S96 WeakPolarHBondContact O-CB 3.49Å; G93-S96 PolarHBondContact O-N 3.32Å; G93-S96 PolarHBondContact O-OG 2.92Å
94	I	90.4	Very high	91	Very high	88 Å²	88	62.2 Å²	62.2	45%	0.451	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-29.7	-173	-63.4	177.3	0	0	0	112.6	M90 R111 V115	M90-I94 HydrophobicContact CE-CB 4.01Å; M90-I94 HydrophobicContact CE-CD1 4.06Å; M90-I94 HydrophobicContact CE-CG2 4.03Å; M90-I94 PolarHBondContact O-N 3.44Å; M90-I94 HydrophobicContact SD-CD1 4.33Å; I94-R111 HydrophobicContact CG2-CB 4.17Å; I94-R111 PolarHBondContact O-NH1 2.91Å; I94-V115 HydrophobicContact CD1-CG1 4.47Å; I94-V115 HydrophobicContact CD1-CG2 3.58Å
95	C	93	Very high	90.7	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	19.1	-178.1	-60.1	0	0	0	0	113.2	M90 R91 G93 N97 L98 N108	M90-C95 WeakPolarHBondContact O-CB 3.48Å; M90-C95 PolarHBondContact O-N 2.79Å; R91-C95 HydrophobicContact CG-CB 4.33Å; G93-C95 PolarHBondContact O-N 2.54Å; C95-N97 PolarHBondContact O-N 3.4Å; C95-L98 HydrophobicContact CB-CD1 3.95Å; C95-L98 HydrophobicContact CB-CG 4.46Å; C95-L98 PolarHBondContact O-N 2.79Å; C95-L98 VanDerWaalsContact O-N 3.14Å; C95-N108 WeakPolarHBondContact CB-OD1 3.35Å; C95-N108 PolarHBondContact SG-OD1 3.46Å
96	S	92.8	Very high	90.5	Very high	83 Å²	83	68.5 Å²	68.5	58%	0.58	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.3	-177.4	55.6	0	0	0	0	115.2	R91 G93	R91-S96 WeakPolarHBondContact O-CA 3.24Å; R91-S96 PolarHBondContact O-N 3.14Å; G93-S96 VanDerWaalsContact O-CB 3.27Å; G93-S96 WeakPolarHBondContact O-CB 3.49Å; G93-S96 PolarHBondContact O-N 3.32Å; G93-S96 PolarHBondContact O-OG 2.92Å
97	N	94.3	Very high	90.6	Very high	107 Å²	107	70.2 Å²	70.2	57%	0.572	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-0.7	177.2	73.6	-81.3	0	0	0	113.7	C95 R111	C95-N97 PolarHBondContact O-N 3.4Å; N97-R111 PolarHBondContact OD1-NH1 3.36Å
98	L	91.5	Very high	90.8	Very high	18 Å²	18	70.1 Å²	70.1	9%	0.094	37%	0.368	C	S	.	.			trans	-99.6	131.1	-175.8	-58.2	179.6	0	0	0	110.5	R91 C95 D104 E107 N108	R91-L98 PolarHBondContact NH1-O 3.48Å; C95-L98 HydrophobicContact CB-CD1 3.95Å; C95-L98 HydrophobicContact CB-CG 4.46Å; C95-L98 PolarHBondContact O-N 2.79Å; C95-L98 VanDerWaalsContact O-N 3.14Å; L98-D104 HydrophobicContact CB-CB 4.26Å; L98-E107 HydrophobicContact CD1-CB 4.26Å; L98-E107 HydrophobicContact CD1-CG 3.95Å; L98-E107 HydrophobicContact CD2-CB 4.38Å; L98-E107 HydrophobicContact CD2-CG 3.94Å; L98-N108 HydrophobicContact CD1-CB 3.83Å
99	G	88.1	Confident	91.2	Very high	29 Å²	29	67.2 Å²	67.2	30%	0.299	35%	0.352	S	S	.	.			trans	-80.5	-141.9	170.8	0	0	0	0	0	112.6	R91 D104	R91-G99 PolarHBondContact NH1-O 3.39Å; G99-D104 WeakPolarHBondContact CA-OD2 3.43Å; G99-D104 VanDerWaalsContact N-CG 3.3Å; G99-D104 PolarHBondContact N-OD2 3.1Å
100	F	87.5	Confident	91.6	Very high	140 Å²	140	66.4 Å²	66.4	61%	0.614	34%	0.342	S	S	*	.	S	Bend	trans	-126.5	13.9	-177.4	-69.2	-83.8	0	0	0	113.4	R91 R105	R91-F100 VanDerWaalsContact CZ-CE1 3.48Å; F100-R105 PolarHBondContact O-NE 3.47Å; F100-R105 PolarHBondContact O-NH2 3.33Å
101	S	88.4	Confident	91.9	Very high	50 Å²	50	68.3 Å²	68.3	35%	0.35	35%	0.348	S	S	.	.	S	Bend	trans	-62.4	166.7	169.9	86	0	0	0	0	110.8	E103 D104 R105	S101-E103 VanDerWaalsContact C-N 3.33Å; S101-E103 WeakPolarHBondContact CB-OE2 3.21Å; S101-E103 PolarHBondContact O-N 3.01Å; S101-E103 PolarHBondContact OG-N 3.46Å; S101-E103 PolarHBondContact OG-OE2 2.85Å; S101-D104 PolarHBondContact O-N 2.9Å; S101-D104 PolarHBondContact OG-N 2.69Å; S101-D104 VanDerWaalsContact OG-N 3.17Å; S101-R105 WeakPolarHBondContact O-CB 3.38Å; S101-R105 VanDerWaalsContact O-CG 3.25Å; S101-R105 WeakPolarHBondContact O-CG 3.49Å; S101-R105 PolarHBondContact O-N 2.87Å
102	E	86.9	Confident	92.1	Very high	136 Å²	136	65.8 Å²	65.8	64%	0.636	34%	0.338	S	S	*	.	H	α-helix	trans	-59.2	-44.8	177.2	-169.1	178.4	161.3	0	0	111.6	D104 R105 Q106	E102-D104 PolarHBondContact O-N 2.75Å; E102-R105 PolarHBondContact O-N 2.89Å; E102-Q106 PolarHBondContact O-N 3.25Å
103	E	90.6	Very high	92.5	Very high	128 Å²	128	58.5 Å²	58.5	60%	0.598	31%	0.305	S	S	*	.	H	α-helix	trans	-64.4	-41.2	177.7	-55.2	80.1	-176.3	0	0	111.9	S101 R105 Q106 E107	S101-E103 VanDerWaalsContact C-N 3.33Å; S101-E103 WeakPolarHBondContact CB-OE2 3.21Å; S101-E103 PolarHBondContact O-N 3.01Å; S101-E103 PolarHBondContact OG-N 3.46Å; S101-E103 PolarHBondContact OG-OE2 2.85Å; E103-R105 VanDerWaalsContact C-N 3.33Å; E103-R105 PolarHBondContact O-N 3.35Å; E103-Q106 PolarHBondContact O-N 3.38Å; E103-E107 WeakPolarHBondContact O-CB 3.45Å; E103-E107 PolarHBondContact O-N 3.21Å
104	D	91.9	Very high	92.8	Very high	46 Å²	46	58.8 Å²	58.8	25%	0.246	30%	0.295	C	S	.	.	H	α-helix	trans	-65	-37.5	176.2	-78	-27.3	0	0	0	111.8	L98 G99 S101 E102 N108	L98-D104 HydrophobicContact CB-CB 4.26Å; G99-D104 WeakPolarHBondContact CA-OD2 3.43Å; G99-D104 VanDerWaalsContact N-CG 3.3Å; G99-D104 PolarHBondContact N-OD2 3.1Å; S101-D104 PolarHBondContact O-N 2.9Å; S101-D104 PolarHBondContact OG-N 2.69Å; S101-D104 VanDerWaalsContact OG-N 3.17Å; E102-D104 PolarHBondContact O-N 2.75Å; D104-N108 VanDerWaalsContact O-CB 3.24Å; D104-N108 WeakPolarHBondContact O-CB 2.94Å; D104-N108 PolarHBondContact O-N 3.27Å
105	R	90.4	Very high	93.2	Very high	48 Å²	48	55.6 Å²	55.6	18%	0.181	28%	0.28	C	S	.	.	H	α-helix	trans	-66.8	-45.8	175.9	-72.8	174.4	-167.2	-159.6	3.6	110.7	F100 S101 E102 E103 N108 I109 D183	F100-R105 PolarHBondContact O-NE 3.47Å; F100-R105 PolarHBondContact O-NH2 3.33Å; S101-R105 WeakPolarHBondContact O-CB 3.38Å; S101-R105 VanDerWaalsContact O-CG 3.25Å; S101-R105 WeakPolarHBondContact O-CG 3.49Å; S101-R105 PolarHBondContact O-N 2.87Å; E102-R105 PolarHBondContact O-N 2.89Å; E103-R105 VanDerWaalsContact C-N 3.33Å; E103-R105 PolarHBondContact O-N 3.35Å; R105-N108 WeakPolarHBondContact O-CB 3.3Å; R105-N108 PolarHBondContact O-N 3.19Å; R105-I109 WeakPolarHBondContact O-CG1 3.33Å; R105-I109 PolarHBondContact O-N 3.41Å; R105-D183 PolarHBondContact NH1-O 2.73Å; R105-D183 PolarHBondContact NH2-O 3Å
106	Q	93	Very high	93.4	Very high	102 Å²	102	55.6 Å²	55.6	48%	0.477	28%	0.28	S	S	.	.	H	α-helix	trans	-61.1	-47.1	176.7	175.7	169.7	71.7	0	0	111.5	E102 E103 N108 I109 R110 D137	E102-Q106 PolarHBondContact O-N 3.25Å; E103-Q106 PolarHBondContact O-N 3.38Å; Q106-N108 VanDerWaalsContact C-N 3.3Å; Q106-N108 PolarHBondContact O-N 3.04Å; Q106-I109 PolarHBondContact O-N 3.28Å; Q106-R110 PolarHBondContact O-N 3.36Å; Q106-D137 PolarHBondContact NE2-OD1 3.25Å
107	E	94.8	Very high	93.6	Very high	51 Å²	51	54 Å²	54	24%	0.238	26%	0.262	C	S	.	.	H	α-helix	trans	-64.5	-35.3	177.7	177.2	59.5	-170.8	0	0	111.8	L98 E103 R110 R111	L98-E107 HydrophobicContact CD1-CB 4.26Å; L98-E107 HydrophobicContact CD1-CG 3.95Å; L98-E107 HydrophobicContact CD2-CB 4.38Å; L98-E107 HydrophobicContact CD2-CG 3.94Å; E103-E107 WeakPolarHBondContact O-CB 3.45Å; E103-E107 PolarHBondContact O-N 3.21Å; E107-R110 PolarHBondContact O-N 2.89Å; E107-R110 IonicContact OE1-CZ 3.43Å; E107-R110 IonicContact OE1-NE 2.83Å; E107-R110 IonicContact OE1-NH2 2.75Å; E107-R110 PolarHBondContact OE1-NH2 3.47Å; E107-R110 IonicContact OE2-CZ 3.27Å; E107-R110 IonicContact OE2-NE 3.53Å; E107-R110 PolarHBondContact OE2-NE 2.72Å; E107-R110 IonicContact OE2-NH2 3.63Å; E107-R110 PolarHBondContact OE2-NH2 2.76Å; E107-R111 WeakPolarHBondContact O-CB 3.31Å; E107-R111 VanDerWaalsContact O-CG 3.32Å; E107-R111 WeakPolarHBondContact O-CG 3.27Å; E107-R111 PolarHBondContact O-N 3.29Å; E107-R111 IonicContact OE1-CZ 2.76Å; E107-R111 IonicContact OE1-NE 2.85Å; E107-R111 PolarHBondContact OE1-NE 3.4Å; E107-R111 IonicContact OE1-NH2 3.24Å
108	N	93.9	Very high	93.6	Very high	10 Å²	10	54.2 Å²	54.2	5%	0.053	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-44.1	173	175.3	67	0	0	0	111.8	C95 L98 D104 R105 Q106 A112	C95-N108 WeakPolarHBondContact CB-OD1 3.35Å; C95-N108 PolarHBondContact SG-OD1 3.46Å; L98-N108 HydrophobicContact CD1-CB 3.83Å; D104-N108 VanDerWaalsContact O-CB 3.24Å; D104-N108 WeakPolarHBondContact O-CB 2.94Å; D104-N108 PolarHBondContact O-N 3.27Å; R105-N108 WeakPolarHBondContact O-CB 3.3Å; R105-N108 PolarHBondContact O-N 3.19Å; Q106-N108 VanDerWaalsContact C-N 3.3Å; Q106-N108 PolarHBondContact O-N 3.04Å; N108-A112 WeakPolarHBondContact O-CB 3.44Å; N108-A112 PolarHBondContact O-N 3.02Å
109	I	95.6	Very high	93.8	Very high	9 Å²	9	56.6 Å²	56.6	5%	0.046	27%	0.273	C	S	.	.	H	α-helix	trans	-65.2	-41.9	175	-61.9	-52.2	0	0	0	111.1	W55 R105 Q106 R111 A112 A113 F130 D137 M140	W55-I109 HydrophobicContact CH2-CG2 3.99Å; W55-I109 HydrophobicContact CZ2-CD1 4.24Å; W55-I109 HydrophobicContact CZ2-CG2 3.75Å; R105-I109 WeakPolarHBondContact O-CG1 3.33Å; R105-I109 PolarHBondContact O-N 3.41Å; Q106-I109 PolarHBondContact O-N 3.28Å; I109-R111 PolarHBondContact O-N 2.67Å; I109-A112 PolarHBondContact O-N 3.24Å; I109-A113 WeakPolarHBondContact O-CB 3.07Å; I109-A113 PolarHBondContact O-N 3.26Å; I109-F130 HydrophobicContact CD1-CB 3.88Å; I109-F130 HydrophobicContact CD1-CD1 4.03Å; I109-F130 HydrophobicContact CD1-CG 4.13Å; I109-D137 HydrophobicContact CB-CB 4.44Å; I109-D137 HydrophobicContact CG2-CB 4.07Å; I109-M140 HydrophobicContact CB-CE 4.38Å; I109-M140 HydrophobicContact CG2-CE 4Å
110	R	96.9	Very high	94.1	Very high	90 Å²	90	55.2 Å²	55.2	34%	0.34	26%	0.258	S	S	.	.	H	α-helix	trans	-60.7	-46.6	177.7	-166.5	-167.4	68.5	73.7	4	111.4	Q106 E107 A112 A113 E114 M140 I144	Q106-R110 PolarHBondContact O-N 3.36Å; E107-R110 PolarHBondContact O-N 2.89Å; E107-R110 IonicContact OE1-CZ 3.43Å; E107-R110 IonicContact OE1-NE 2.83Å; E107-R110 IonicContact OE1-NH2 2.75Å; E107-R110 PolarHBondContact OE1-NH2 3.47Å; E107-R110 IonicContact OE2-CZ 3.27Å; E107-R110 IonicContact OE2-NE 3.53Å; E107-R110 PolarHBondContact OE2-NE 2.72Å; E107-R110 IonicContact OE2-NH2 3.63Å; E107-R110 PolarHBondContact OE2-NH2 2.76Å; R110-A112 PolarHBondContact O-N 2.82Å; R110-A113 PolarHBondContact O-N 3.47Å; R110-E114 IonicContact NH1-OE1 3.66Å; R110-E114 WeakPolarHBondContact O-CG 3.32Å; R110-E114 PolarHBondContact O-N 3.1Å; R110-M140 HydrophobicContact CB-CE 3.72Å; R110-M140 HydrophobicContact CB-SD 3.97Å; R110-M140 HydrophobicContact CG-CE 4.21Å; R110-M140 HydrophobicContact CG-SD 3.81Å; R110-I144 HydrophobicContact CG-CD1 4.1Å
111	R	97.2	Very high	94.4	Very high	52 Å²	52	50.8 Å²	50.8	20%	0.196	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-42.5	176.4	-72.2	179.5	-171.7	-169.2	7	112	I94 N97 E107 I109 E114 V115	I94-R111 HydrophobicContact CG2-CB 4.17Å; I94-R111 PolarHBondContact O-NH1 2.91Å; N97-R111 PolarHBondContact OD1-NH1 3.36Å; E107-R111 WeakPolarHBondContact O-CB 3.31Å; E107-R111 VanDerWaalsContact O-CG 3.32Å; E107-R111 WeakPolarHBondContact O-CG 3.27Å; E107-R111 PolarHBondContact O-N 3.29Å; E107-R111 IonicContact OE1-CZ 2.76Å; E107-R111 IonicContact OE1-NE 2.85Å; E107-R111 PolarHBondContact OE1-NE 3.4Å; E107-R111 IonicContact OE1-NH2 3.24Å; I109-R111 PolarHBondContact O-N 2.67Å; R111-E114 PolarHBondContact O-N 3.34Å; R111-V115 VanDerWaalsContact O-CG2 3.28Å; R111-V115 WeakPolarHBondContact O-CG2 3.4Å; R111-V115 PolarHBondContact O-N 2.84Å
112	A	96.8	Very high	94.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-44.8	174.9	0	0	0	0	0	111.9	W55 M90 N108 I109 R110 E114 V115 S116 F130	W55-A112 HydrophobicContact CH2-CB 3.91Å; W55-A112 HydrophobicContact CZ3-CB 4.46Å; M90-A112 HydrophobicContact CE-CB 4.36Å; N108-A112 WeakPolarHBondContact O-CB 3.44Å; N108-A112 PolarHBondContact O-N 3.02Å; I109-A112 PolarHBondContact O-N 3.24Å; R110-A112 PolarHBondContact O-N 2.82Å; A112-E114 PolarHBondContact O-N 3.19Å; A112-V115 PolarHBondContact O-N 3.4Å; A112-S116 WeakPolarHBondContact O-CB 3.3Å; A112-S116 PolarHBondContact O-N 3.28Å; A112-S116 PolarHBondContact O-OG 2.74Å; A112-F130 HydrophobicContact CB-CD1 4.35Å; A112-F130 HydrophobicContact CB-CD2 4.35Å; A112-F130 HydrophobicContact CB-CE1 3.64Å; A112-F130 HydrophobicContact CB-CE2 3.69Å; A112-F130 HydrophobicContact CB-CZ 3.29Å
113	A	97.9	Very high	94.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-42.8	176.6	0	0	0	0	0	112.6	W55 I109 R110 V115 S116 K117 A141 I144 H145	W55-A113 HydrophobicContact CH2-CB 4.38Å; W55-A113 HydrophobicContact CZ3-CB 4.19Å; I109-A113 WeakPolarHBondContact O-CB 3.07Å; I109-A113 PolarHBondContact O-N 3.26Å; R110-A113 PolarHBondContact O-N 3.47Å; A113-V115 VanDerWaalsContact C-N 3.34Å; A113-V115 PolarHBondContact O-N 3.04Å; A113-S116 PolarHBondContact O-N 3.36Å; A113-K117 WeakPolarHBondContact O-CB 3.48Å; A113-K117 PolarHBondContact O-N 3.2Å; A113-A141 HydrophobicContact CB-CB 3.67Å; A113-I144 HydrophobicContact CB-CD1 3.86Å; A113-I144 HydrophobicContact CB-CG2 4.43Å; A113-H145 PolarHBondContact O-CE1 2.94Å; A113-H145 VanDerWaalsContact O-CE1 3.3Å
114	E	97.6	Very high	94.8	Very high	47 Å²	47	40.6 Å²	40.6	22%	0.22	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-39.4	175.8	-69.1	-72.1	-172.6	0	0	112.3	R110 R111 A112 K117 L118 I144	R110-E114 IonicContact NH1-OE1 3.66Å; R110-E114 WeakPolarHBondContact O-CG 3.32Å; R110-E114 PolarHBondContact O-N 3.1Å; R111-E114 PolarHBondContact O-N 3.34Å; A112-E114 PolarHBondContact O-N 3.19Å; E114-K117 WeakPolarHBondContact O-CB 3.38Å; E114-K117 PolarHBondContact O-N 2.79Å; E114-K117 WeakPolarHBondContact OE2-CE 3.47Å; E114-K117 IonicContact OE2-NZ 3.33Å; E114-K117 PolarHBondContact OE2-NZ 3.15Å; E114-L118 WeakPolarHBondContact O-CG 3.27Å; E114-L118 PolarHBondContact O-N 3.09Å; E114-I144 HydrophobicContact CG-CD1 4.38Å
115	V	97.3	Very high	95	Very high	22 Å²	22	38.4 Å²	38.4	13%	0.133	18%	0.179	C	C	.	.	H	α-helix	trans	-68.8	-45.2	176	173.4	0	0	0	0	111	L85 M90 I94 R111 A112 A113 K117 L118 F119	L85-V115 HydrophobicContact CD1-CB 4.42Å; L85-V115 HydrophobicContact CD1-CG1 3.87Å; L85-V115 HydrophobicContact CD2-CG1 4.31Å; M90-V115 HydrophobicContact CE-CB 4.42Å; M90-V115 HydrophobicContact CE-CG2 4.15Å; I94-V115 HydrophobicContact CD1-CG1 4.47Å; I94-V115 HydrophobicContact CD1-CG2 3.58Å; R111-V115 VanDerWaalsContact O-CG2 3.28Å; R111-V115 WeakPolarHBondContact O-CG2 3.4Å; R111-V115 PolarHBondContact O-N 2.84Å; A112-V115 PolarHBondContact O-N 3.4Å; A113-V115 VanDerWaalsContact C-N 3.34Å; A113-V115 PolarHBondContact O-N 3.04Å; V115-K117 VanDerWaalsContact C-N 3.25Å; V115-K117 PolarHBondContact O-N 3.33Å; V115-L118 WeakPolarHBondContact O-CB 3.32Å; V115-L118 PolarHBondContact O-N 3.12Å; V115-L118 VanDerWaalsContact O-N 3.1Å; V115-F119 HydrophobicContact CG1-CD2 3.9Å; V115-F119 HydrophobicContact CG1-CE2 3.7Å; V115-F119 WeakPolarHBondContact O-CD2 3.28Å; V115-F119 PolarHBondContact O-N 3.33Å
116	S	97.9	Very high	95.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56.7	-41.2	174.4	-60.6	0	0	0	0	112	L85 A112 A113 L118 F119 A120 T126	L85-S116 WeakPolarHBondContact CD1-OG 3.43Å; A112-S116 WeakPolarHBondContact O-CB 3.3Å; A112-S116 PolarHBondContact O-N 3.28Å; A112-S116 PolarHBondContact O-OG 2.74Å; A113-S116 PolarHBondContact O-N 3.36Å; S116-L118 VanDerWaalsContact C-N 3.32Å; S116-L118 PolarHBondContact O-N 3.47Å; S116-F119 PolarHBondContact O-N 2.86Å; S116-A120 WeakPolarHBondContact O-CB 3.32Å; S116-A120 PolarHBondContact O-N 2.91Å; S116-T126 PolarHBondContact O-OG1 3.32Å
117	K	97.2	Very high	95.6	Very high	48 Å²	48	31.3 Å²	31.3	21%	0.209	15%	0.148	C	C	.	.	H	α-helix	trans	-58.2	-43.6	175.9	-171	-168.3	71.7	-168	0	111.6	A113 E114 V115 A120 D121 I144 H145 A148 L150	A113-K117 WeakPolarHBondContact O-CB 3.48Å; A113-K117 PolarHBondContact O-N 3.2Å; E114-K117 WeakPolarHBondContact O-CB 3.38Å; E114-K117 PolarHBondContact O-N 2.79Å; E114-K117 WeakPolarHBondContact OE2-CE 3.47Å; E114-K117 IonicContact OE2-NZ 3.33Å; E114-K117 PolarHBondContact OE2-NZ 3.15Å; V115-K117 VanDerWaalsContact C-N 3.25Å; V115-K117 PolarHBondContact O-N 3.33Å; K117-A120 PolarHBondContact O-N 3.16Å; K117-D121 WeakPolarHBondContact O-CB 3.49Å; K117-D121 PolarHBondContact O-N 3.44Å; K117-I144 HydrophobicContact CB-CG2 4.2Å; K117-I144 HydrophobicContact CD-CG2 3.77Å; K117-I144 WeakPolarHBondContact CD-O 3.4Å; K117-I144 HydrophobicContact CG-CG2 4.37Å; K117-H145 PolarHBondContact N-NE2 3.09Å; K117-A148 HydrophobicContact CD-CB 3.97Å; K117-A148 HydrophobicContact CG-CB 4.23Å; K117-L150 HydrophobicContact CB-CD1 4.45Å; K117-L150 HydrophobicContact CG-CD1 3.53Å; K117-L150 WeakPolarHBondContact O-CD1 3.34Å
118	L	95	Very high	95.8	Very high	113 Å²	113	28.9 Å²	28.9	59%	0.592	14%	0.136	S	C	*	.	H	α-helix	trans	-63.8	-42.4	178.7	-66.8	172.9	0	0	0	112.1	E114 V115 S116 M122	E114-L118 WeakPolarHBondContact O-CG 3.27Å; E114-L118 PolarHBondContact O-N 3.09Å; V115-L118 WeakPolarHBondContact O-CB 3.32Å; V115-L118 PolarHBondContact O-N 3.12Å; V115-L118 VanDerWaalsContact O-N 3.1Å; S116-L118 VanDerWaalsContact C-N 3.32Å; S116-L118 PolarHBondContact O-N 3.47Å; L118-M122 WeakPolarHBondContact O-CB 3.46Å; L118-M122 PolarHBondContact O-N 2.93Å
119	F	94.9	Very high	95.9	Very high	68 Å²	68	28.5 Å²	28.5	30%	0.298	14%	0.135	S	C	.	.	H	α-helix	trans	-68.1	-40.8	176.8	-80.1	-73.2	0	0	0	112.4	Y83 L85 V115 S116 M122 G123 A124 T126	Y83-F119 HydrophobicContact CD1-CE1 4.33Å; Y83-F119 HydrophobicContact CD1-CE2 4.22Å; Y83-F119 AromaticContact CD1-CZ 3.96Å; Y83-F119 HydrophobicContact CD1-CZ 3.96Å; Y83-F119 HydrophobicContact CE1-CZ 4.22Å; Y83-F119 HydrophobicContact CG-CE1 4.24Å; Y83-F119 HydrophobicContact CG-CZ 4.32Å; L85-F119 HydrophobicContact CD2-CE2 4.28Å; V115-F119 HydrophobicContact CG1-CD2 3.9Å; V115-F119 HydrophobicContact CG1-CE2 3.7Å; V115-F119 WeakPolarHBondContact O-CD2 3.28Å; V115-F119 PolarHBondContact O-N 3.33Å; S116-F119 PolarHBondContact O-N 2.86Å; F119-M122 WeakPolarHBondContact O-CB 3.35Å; F119-M122 PolarHBondContact O-N 3.31Å; F119-G123 PolarHBondContact O-N 2.7Å; F119-A124 PolarHBondContact O-N 3.42Å; F119-T126 HydrophobicContact CB-CG2 4.35Å; F119-T126 WeakPolarHBondContact CB-OG1 3.09Å
120	A	94.3	Very high	95.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65	-39.6	175.2	0	0	0	0	0	112.2	R36 S116 K117 M122 G123 L150	R36-A120 PolarHBondContact NE-O 2.98Å; S116-A120 WeakPolarHBondContact O-CB 3.32Å; S116-A120 PolarHBondContact O-N 2.91Å; K117-A120 PolarHBondContact O-N 3.16Å; A120-M122 VanDerWaalsContact C-N 3.35Å; A120-G123 PolarHBondContact O-N 3.47Å; A120-G123 VanDerWaalsContact O-N 3.16Å; A120-L150 HydrophobicContact CB-CD1 4.18Å
121	D	93.1	Very high	95.7	Very high	47 Å²	47	26.7 Å²	26.7	25%	0.251	13%	0.131	S	C	.	.	H	α-helix	trans	-70	-30.2	174	-175.9	50.6	0	0	0	112.9	R36 R39 K117 G123 L150	R36-D121 WeakPolarHBondContact CG-O 3.38Å; R39-D121 IonicContact CZ-OD2 3.65Å; R39-D121 PolarHBondContact NE-O 3.43Å; R39-D121 PolarHBondContact NH2-O 3.33Å; R39-D121 IonicContact NH2-OD1 3.98Å; R39-D121 PolarHBondContact NH2-OD1 3.46Å; R39-D121 IonicContact NH2-OD2 3.81Å; R39-D121 PolarHBondContact NH2-OD2 3.36Å; K117-D121 WeakPolarHBondContact O-CB 3.49Å; K117-D121 PolarHBondContact O-N 3.44Å; D121-G123 PolarHBondContact O-N 2.81Å; D121-L150 HydrophobicContact CB-CD1 4.08Å; D121-L150 HydrophobicContact CB-CD2 4.33Å
122	M	91.4	Very high	95.6	Very high	90 Å²	90	24.3 Å²	24.3	44%	0.443	12%	0.122	S	C	.	.	H	α-helix	trans	-65.7	-22.4	171	-171.4	65.8	-173	0	0	111.8	R39 L43 L118 F119 A120	R39-M122 VanDerWaalsContact CB-O 3.26Å; R39-M122 WeakPolarHBondContact CB-O 3.23Å; R39-M122 VanDerWaalsContact CD-SD 3.55Å; R39-M122 HydrophobicContact CG-SD 4.49Å; L43-M122 HydrophobicContact CD1-CE 3.73Å; L43-M122 HydrophobicContact CD1-CG 3.79Å; L43-M122 WeakPolarHBondContact CD1-O 3.38Å; L43-M122 HydrophobicContact CD1-SD 4.38Å; L43-M122 HydrophobicContact CD2-CE 4.47Å; L43-M122 HydrophobicContact CG-CE 4.44Å; L118-M122 WeakPolarHBondContact O-CB 3.46Å; L118-M122 PolarHBondContact O-N 2.93Å; F119-M122 WeakPolarHBondContact O-CB 3.35Å; F119-M122 PolarHBondContact O-N 3.31Å; A120-M122 VanDerWaalsContact C-N 3.35Å
123	G	90.6	Very high	95.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.6	18.3	178.2	0	0	0	0	0	114.6	F49 R50 F119 A120 D121	F49-G123 WeakPolarHBondContact CE1-O 3.48Å; R50-G123 WeakPolarHBondContact O-CA 3.35Å; F119-G123 PolarHBondContact O-N 2.7Å; A120-G123 PolarHBondContact O-N 3.47Å; A120-G123 VanDerWaalsContact O-N 3.16Å; D121-G123 PolarHBondContact O-N 2.81Å
124	A	93.3	Very high	95.2	Very high	10 Å²	10	26.8 Å²	26.8	8%	0.083	13%	0.134	C	C	.	.			trans	-105.2	159.9	177.2	0	0	0	0	0	112.4	G51 C52 P81 F119	G51-A124 VanDerWaalsContact CA-C 3.46Å; G51-A124 WeakPolarHBondContact CA-O 3.26Å; C52-A124 PolarHBondContact N-O 3.42Å; C52-A124 VanDerWaalsContact N-O 3.17Å; P81-A124 HydrophobicContact CB-CB 3.95Å; P81-A124 CarbonylContact O-C 3.58Å; P81-A124 WeakPolarHBondContact O-CA 3.16Å; F119-A124 PolarHBondContact O-N 3.42Å
125	I	95.9	Very high	95.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	114	166	-69	161.6	0	0	0	108.7	F49 C52 I54 L75 P81 A82 Y83 L127 I224	F49-I125 HydrophobicContact CE2-CD1 3.69Å; F49-I125 HydrophobicContact CE2-CG1 3.93Å; F49-I125 HydrophobicContact CZ-CD1 3.77Å; F49-I125 HydrophobicContact CZ-CG1 3.71Å; C52-I125 CarbonylContact O-C 3.55Å; C52-I125 WeakPolarHBondContact O-CA 3.44Å; I54-I125 HydrophobicContact CD1-CG2 3.97Å; I54-I125 HydrophobicContact CG1-CG2 4.13Å; L75-I125 HydrophobicContact CD1-CB 4.25Å; L75-I125 HydrophobicContact CD1-CD1 3.7Å; L75-I125 HydrophobicContact CD1-CG2 4.04Å; L75-I125 HydrophobicContact CD2-CD1 3.92Å; L75-I125 HydrophobicContact CG-CD1 4.42Å; P81-I125 PolarHBondContact O-N 3.06Å; A82-I125 CarbonylContact C-O 3.55Å; A82-I125 WeakPolarHBondContact CA-O 3.37Å; A82-I125 HydrophobicContact CB-CB 4.22Å; Y83-I125 PolarHBondContact N-O 3.19Å; I125-L127 HydrophobicContact CG2-CD2 3.46Å; I125-L127 VanDerWaalsContact CG2-CD2 3.46Å; I125-L127 HydrophobicContact CG2-CG 4.04Å; I125-I224 HydrophobicContact CD1-CG2 4.5Å
126	T	98.1	Very high	95.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.3	172.3	-44	0	0	0	0	109.9	C52 I54 L85 S116 F119	C52-T126 PolarHBondContact O-N 3.39Å; I54-T126 PolarHBondContact N-O 3.39Å; L85-T126 HydrophobicContact CD1-CG2 3.47Å; L85-T126 VanDerWaalsContact CD1-CG2 3.47Å; L85-T126 HydrophobicContact CG-CG2 3.84Å; S116-T126 PolarHBondContact O-OG1 3.32Å; F119-T126 HydrophobicContact CB-CG2 4.35Å; F119-T126 WeakPolarHBondContact CB-OG1 3.09Å
127	L	98.4	Very high	95	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	84.8	-179.5	-56.7	175.7	0	0	0	109.5	I54 F56 S68 L71 E72 L75 A82 Y83 L85 I125	I54-L127 HydrophobicContact CB-CD2 4.05Å; I54-L127 HydrophobicContact CD1-CD2 3.65Å; I54-L127 HydrophobicContact CG1-CD2 4.08Å; F56-L127 HydrophobicContact CE2-CB 4.06Å; F56-L127 HydrophobicContact CE2-CD2 3.97Å; F56-L127 HydrophobicContact CZ-CD2 4.4Å; S68-L127 VanDerWaalsContact O-CD1 3.31Å; S68-L127 WeakPolarHBondContact O-CD1 3.3Å; S68-L127 WeakPolarHBondContact OG-CB 3.41Å; S68-L127 PolarHBondContact OG-O 3.42Å; L71-L127 HydrophobicContact CB-CD1 4.4Å; L71-L127 HydrophobicContact CD2-CD1 4.47Å; L71-L127 HydrophobicContact CD2-CD2 3.75Å; L71-L127 HydrophobicContact CG-CD1 4.33Å; L71-L127 HydrophobicContact CG-CD2 4.39Å; E72-L127 HydrophobicContact CB-CD1 3.66Å; E72-L127 HydrophobicContact CG-CD1 4.35Å; L75-L127 HydrophobicContact CD1-CD1 4.43Å; A82-L127 HydrophobicContact CB-CD1 4.36Å; Y83-L127 PolarHBondContact O-N 2.81Å; L85-L127 PolarHBondContact N-O 2.86Å; I125-L127 HydrophobicContact CG2-CD2 3.46Å; I125-L127 VanDerWaalsContact CG2-CD2 3.46Å; I125-L127 HydrophobicContact CG2-CG 4.04Å
128	A	98	Very high	95	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	111.7	-172.9	0	0	0	0	0	111.3	T53 I54 W55 F56 F130	T53-A128 HydrophobicContact CG2-CB 4.49Å; I54-A128 PolarHBondContact O-N 3.37Å; W55-A128 CarbonylContact C-O 3.59Å; W55-A128 HydrophobicContact CD2-CB 4.14Å; W55-A128 HydrophobicContact CE3-CB 3.58Å; W55-A128 HydrophobicContact CZ3-CB 3.93Å; F56-A128 PolarHBondContact N-O 3.49Å; A128-F130 HydrophobicContact CB-CD2 4Å; A128-F130 HydrophobicContact CB-CE2 3.81Å
129	S	97.5	Very high	95.1	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	96.9	-178.3	-64.7	0	0	0	0	111.6	S68 L85 G87	S68-S129 WeakPolarHBondContact CB-OG 3.43Å; S68-S129 PolarHBondContact OG-OG 3.37Å; L85-S129 PolarHBondContact O-N 2.81Å; G87-S129 PolarHBondContact N-O 3.21Å
130	F	95.3	Very high	95.2	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.026	13%	0.13	C	C	.	.			trans	-130.8	156.2	-178.7	-64.2	-90.4	0	0	0	110.9	W55 F56 K64 L85 M90 I109 A112 A128	W55-F130 AromaticContact CH2-CD2 3.91Å; W55-F130 HydrophobicContact CH2-CD2 3.91Å; W55-F130 HydrophobicContact CH2-CE2 4.31Å; W55-F130 HydrophobicContact CH2-CG 4.41Å; W55-F130 HydrophobicContact CZ2-CB 4.02Å; W55-F130 AromaticContact CZ2-CD2 3.81Å; W55-F130 HydrophobicContact CZ2-CD2 3.81Å; W55-F130 HydrophobicContact CZ2-CG 4.05Å; W55-F130 HydrophobicContact CZ3-CD2 4.41Å; F56-F130 PolarHBondContact O-N 2.88Å; F56-F130 VanDerWaalsContact O-N 3.12Å; K64-F130 WeakPolarHBondContact CD-O 3.27Å; K64-F130 VanDerWaalsContact CE-O 3.27Å; K64-F130 WeakPolarHBondContact CE-O 3.5Å; L85-F130 HydrophobicContact CB-CE2 4.22Å; L85-F130 HydrophobicContact CB-CZ 4.36Å; M90-F130 HydrophobicContact CG-CE1 4.23Å; M90-F130 HydrophobicContact CG-CZ 3.94Å; I109-F130 HydrophobicContact CD1-CB 3.88Å; I109-F130 HydrophobicContact CD1-CD1 4.03Å; I109-F130 HydrophobicContact CD1-CG 4.13Å; A112-F130 HydrophobicContact CB-CD1 4.35Å; A112-F130 HydrophobicContact CB-CD2 4.35Å; A112-F130 HydrophobicContact CB-CE1 3.64Å; A112-F130 HydrophobicContact CB-CE2 3.69Å; A112-F130 HydrophobicContact CB-CZ 3.29Å; A128-F130 HydrophobicContact CB-CD2 4Å; A128-F130 HydrophobicContact CB-CE2 3.81Å
131	I	92.9	Very high	95.4	Very high	55 Å²	55	24.2 Å²	24.2	28%	0.282	13%	0.13	S	C	.	.			trans	-67.3	-47.3	173.5	-62.2	175.9	0	0	0	109.2	T57 P133 T185 Y191	T57-I131 PolarHBondContact OG1-O 2.95Å; I131-P133 HydrophobicContact CG2-CB 4.36Å; I131-T185 HydrophobicContact CG2-CG2 3.88Å; I131-Y191 HydrophobicContact CG2-CD2 4.38Å; I131-Y191 WeakPolarHBondContact O-CE2 3.35Å
132	S	93.5	Very high	95.6	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	12%	0.123	C	C	.	.			trans	40.8	61.8	179.4	45.4	0	0	0	0	113.2	W55 T57 F134 R138	W55-S132 PolarHBondContact NE1-OG 3.36Å; T57-S132 WeakPolarHBondContact CB-OG 3.41Å; T57-S132 PolarHBondContact OG1-O 2.82Å; T57-S132 PolarHBondContact OG1-OG 3.11Å; S132-F134 VanDerWaalsContact C-N 3.31Å; S132-F134 PolarHBondContact O-N 2.82Å; S132-R138 WeakPolarHBondContact O-CD 3.48Å; S132-R138 PolarHBondContact O-NH1 2.81Å
133	P	92.9	Very high	95.9	Very high	13 Å²	13	26.1 Å²	26.1	8%	0.084	13%	0.129	C	C	.	.			trans	-67.1	-30.3	-168.6	27.2	-33.7	0	0	0	113.7	I131 R138 T185 Y191 E192	I131-P133 HydrophobicContact CG2-CB 4.36Å; P133-R138 PolarHBondContact O-NH1 2.94Å; P133-T185 HydrophobicContact CB-CG2 3.75Å; P133-Y191 HydrophobicContact CB-CD2 4.03Å; P133-E192 WeakPolarHBondContact O-CB 3.32Å; P133-E192 PolarHBondContact O-N 2.71Å
134	F	94.4	Very high	96.3	Very high	39 Å²	39	27.1 Å²	27.1	17%	0.171	13%	0.134	C	C	.	.	S	Bend	trans	-93.5	136.2	-177.1	-53.5	-63.1	0	0	0	111.4	S132 S136 D137 R138 E192	S132-F134 VanDerWaalsContact C-N 3.31Å; S132-F134 PolarHBondContact O-N 2.82Å; F134-S136 VanDerWaalsContact C-N 3.26Å; F134-S136 PolarHBondContact O-N 3.01Å; F134-D137 PolarHBondContact O-N 3.33Å; F134-R138 PolarHBondContact O-N 3Å; F134-E192 WeakPolarHBondContact CA-OE2 3.41Å
135	E	96	Very high	96.5	Very high	63 Å²	63	26.7 Å²	26.7	29%	0.294	13%	0.13	S	C	.	.	H	α-helix	trans	-61.7	-36.7	176.6	-174.6	171.3	-143.6	0	0	111.2	D137 R138 L139 E192 T195	E135-D137 VanDerWaalsContact C-N 3.31Å; E135-D137 PolarHBondContact O-N 3.3Å; E135-R138 PolarHBondContact O-N 3.48Å; E135-L139 HydrophobicContact CG-CD1 4Å; E135-L139 HydrophobicContact CG-CG 4.22Å; E135-L139 WeakPolarHBondContact O-CB 3.49Å; E135-L139 WeakPolarHBondContact O-CG 3.3Å; E135-L139 PolarHBondContact O-N 3.35Å; E135-E192 HydrophobicContact CB-CB 4.5Å; E135-E192 WeakPolarHBondContact CB-OE2 3.44Å; E135-E192 PolarHBondContact N-OE2 2.86Å; E135-T195 PolarHBondContact OE1-OG1 3.45Å
136	S	96	Very high	96.5	Very high	71 Å²	71	31.5 Å²	31.5	50%	0.497	15%	0.153	S	C	.	.	H	α-helix	trans	-56.3	-42.1	176.2	57.4	0	0	0	0	113	F134 M140	F134-S136 VanDerWaalsContact C-N 3.26Å; F134-S136 PolarHBondContact O-N 3.01Å; S136-M140 WeakPolarHBondContact O-CB 3.5Å; S136-M140 PolarHBondContact O-N 2.97Å
137	D	96	Very high	96.5	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.027	18%	0.175	C	C	.	.	H	α-helix	trans	-70.4	-38.1	179.1	-73.3	-19.8	0	0	0	111.8	Q106 I109 F134 E135 M140 A141	Q106-D137 PolarHBondContact NE2-OD1 3.25Å; I109-D137 HydrophobicContact CB-CB 4.44Å; I109-D137 HydrophobicContact CG2-CB 4.07Å; F134-D137 PolarHBondContact O-N 3.33Å; E135-D137 VanDerWaalsContact C-N 3.31Å; E135-D137 PolarHBondContact O-N 3.3Å; D137-M140 PolarHBondContact O-N 3Å; D137-A141 PolarHBondContact O-N 3.49Å
138	R	97	Very high	96.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.8	-42.1	176.4	-61.8	-170.5	-53.8	-95	1.5	111.5	T57 S132 P133 F134 E135 M140 A141 R142 E154 E192	T57-R138 WeakPolarHBondContact OG1-CD 3.46Å; S132-R138 WeakPolarHBondContact O-CD 3.48Å; S132-R138 PolarHBondContact O-NH1 2.81Å; P133-R138 PolarHBondContact O-NH1 2.94Å; F134-R138 PolarHBondContact O-N 3Å; E135-R138 PolarHBondContact O-N 3.48Å; R138-M140 VanDerWaalsContact C-N 3.31Å; R138-M140 PolarHBondContact O-N 3.27Å; R138-A141 PolarHBondContact O-N 3.27Å; R138-R142 WeakPolarHBondContact O-CB 3.34Å; R138-R142 PolarHBondContact O-N 2.98Å; R138-E154 WeakPolarHBondContact CD-OE1 3.47Å; R138-E154 IonicContact CZ-OE1 3.75Å; R138-E154 IonicContact NE-OE1 2.73Å; R138-E154 PolarHBondContact NE-OE1 3.28Å; R138-E192 VanDerWaalsContact CZ-O 3.31Å; R138-E192 PolarHBondContact NH1-O 3.37Å; R138-E192 PolarHBondContact NH2-O 3.49Å
139	L	97.3	Very high	96.1	Very high	65 Å²	65	42.7 Å²	42.7	34%	0.34	23%	0.226	S	C	.	.	H	α-helix	trans	-63.4	-36.9	173.2	-71.8	175.4	0	0	0	112	E135 R142 R143	E135-L139 HydrophobicContact CG-CD1 4Å; E135-L139 HydrophobicContact CG-CG 4.22Å; E135-L139 WeakPolarHBondContact O-CB 3.49Å; E135-L139 WeakPolarHBondContact O-CG 3.3Å; E135-L139 PolarHBondContact O-N 3.35Å; L139-R142 PolarHBondContact O-N 2.82Å; L139-R143 WeakPolarHBondContact O-CB 3.48Å; L139-R143 VanDerWaalsContact O-CG 3.25Å; L139-R143 WeakPolarHBondContact O-CG 3.47Å; L139-R143 PolarHBondContact O-N 3.12Å
140	M	97.5	Very high	96	Very high	41 Å²	41	43 Å²	43	20%	0.202	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-46	173.3	173.2	-85.9	-65.9	0	0	111.3	I109 R110 S136 D137 R138 R142 R143 I144	I109-M140 HydrophobicContact CB-CE 4.38Å; I109-M140 HydrophobicContact CG2-CE 4Å; R110-M140 HydrophobicContact CB-CE 3.72Å; R110-M140 HydrophobicContact CB-SD 3.97Å; R110-M140 HydrophobicContact CG-CE 4.21Å; R110-M140 HydrophobicContact CG-SD 3.81Å; S136-M140 WeakPolarHBondContact O-CB 3.5Å; S136-M140 PolarHBondContact O-N 2.97Å; D137-M140 PolarHBondContact O-N 3Å; R138-M140 VanDerWaalsContact C-N 3.31Å; R138-M140 PolarHBondContact O-N 3.27Å; M140-R142 VanDerWaalsContact C-N 3.32Å; M140-R142 PolarHBondContact O-N 2.77Å; M140-R143 PolarHBondContact O-N 2.76Å; M140-I144 HydrophobicContact CG-CD1 4.39Å; M140-I144 WeakPolarHBondContact O-CG1 3.38Å; M140-I144 PolarHBondContact O-N 3.39Å; M140-I144 HydrophobicContact SD-CD1 3.41Å; M140-I144 WeakPolarHBondContact SD-CD1 3.4Å; M140-I144 HydrophobicContact SD-CG1 4.36Å
141	A	97.7	Very high	96	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-41.9	175.7	0	0	0	0	0	112.1	W55 A113 D137 R138 I144 H145 F152	W55-A141 HydrophobicContact CE3-CB 4.35Å; W55-A141 HydrophobicContact CH2-CB 4.2Å; W55-A141 HydrophobicContact CZ2-CB 4.42Å; W55-A141 HydrophobicContact CZ3-CB 4.17Å; A113-A141 HydrophobicContact CB-CB 3.67Å; D137-A141 PolarHBondContact O-N 3.49Å; R138-A141 PolarHBondContact O-N 3.27Å; A141-I144 PolarHBondContact O-N 2.88Å; A141-H145 PolarHBondContact O-ND1 2.87Å; A141-F152 HydrophobicContact CB-CE2 4.14Å; A141-F152 HydrophobicContact CB-CZ 4.12Å
142	R	98.1	Very high	96.2	Very high	27 Å²	27	43.1 Å²	43.1	10%	0.102	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-51.6	174.1	179.9	-178.5	-65	-87.1	3.6	111.7	R138 L139 M140 I144 H145 E146 F152 E154 E198	R138-R142 WeakPolarHBondContact O-CB 3.34Å; R138-R142 PolarHBondContact O-N 2.98Å; L139-R142 PolarHBondContact O-N 2.82Å; M140-R142 VanDerWaalsContact C-N 3.32Å; M140-R142 PolarHBondContact O-N 2.77Å; R142-I144 VanDerWaalsContact C-N 3.31Å; R142-I144 PolarHBondContact O-N 3.34Å; R142-H145 WeakPolarHBondContact O-CB 3.34Å; R142-H145 PolarHBondContact O-N 3.3Å; R142-E146 VanDerWaalsContact CD-OE1 3.32Å; R142-E146 WeakPolarHBondContact CD-OE1 3.5Å; R142-E146 HydrophobicContact CG-CG 4.15Å; R142-E146 WeakPolarHBondContact CG-OE1 3.3Å; R142-E146 PolarHBondContact O-N 3.4Å; R142-F152 HydrophobicContact CB-CD1 3.81Å; R142-F152 HydrophobicContact CB-CE1 3.86Å; R142-F152 HydrophobicContact CB-CG 4.33Å; R142-F152 HydrophobicContact CB-CZ 4.41Å; R142-F152 HydrophobicContact CG-CD1 3.92Å; R142-F152 HydrophobicContact CG-CE1 4.42Å; R142-F152 HydrophobicContact CG-CG 4.42Å; R142-E154 VanDerWaalsContact NH2-CB 3.25Å; R142-E154 IonicContact NH2-OE2 2.84Å; R142-E154 PolarHBondContact NH2-OE2 3.08Å; R142-E198 IonicContact CZ-OE1 3.79Å; R142-E198 IonicContact CZ-OE2 3.43Å; R142-E198 IonicContact NH1-OE1 2.71Å; R142-E198 PolarHBondContact NH1-OE1 2.88Å; R142-E198 IonicContact NH1-OE2 2.82Å; R142-E198 PolarHBondContact NH1-OE2 3.36Å; R142-E198 IonicContact NH2-OE1 3.4Å; R142-E198 PolarHBondContact NH2-OE1 3.13Å; R142-E198 IonicContact NH2-OE2 3.85Å; R142-E198 PolarHBondContact NH2-OE2 3.32Å
143	R	97.9	Very high	96.4	Very high	149 Å²	149	43.4 Å²	43.4	56%	0.562	23%	0.233	S	C	*	.	H	α-helix	trans	-56.8	-41.4	178.6	-74.8	171.8	-173.7	170.2	4.3	112.6	L139 M140 H145 E146 D147	L139-R143 WeakPolarHBondContact O-CB 3.48Å; L139-R143 VanDerWaalsContact O-CG 3.25Å; L139-R143 WeakPolarHBondContact O-CG 3.47Å; L139-R143 PolarHBondContact O-N 3.12Å; M140-R143 PolarHBondContact O-N 2.76Å; R143-H145 PolarHBondContact O-N 3.04Å; R143-E146 PolarHBondContact O-N 3.2Å; R143-D147 VanDerWaalsContact O-CB 3.31Å; R143-D147 WeakPolarHBondContact O-CB 3.49Å; R143-D147 VanDerWaalsContact O-CG 3.25Å; R143-D147 PolarHBondContact O-N 3.13Å
144	I	97.8	Very high	96.7	Very high	22 Å²	22	43.3 Å²	43.3	11%	0.113	23%	0.232	C	C	.	.	H	α-helix	trans	-55.6	-34.3	175.9	-75	172.9	0	0	0	112.1	R110 A113 E114 K117 M140 A141 R142	R110-I144 HydrophobicContact CG-CD1 4.1Å; A113-I144 HydrophobicContact CB-CD1 3.86Å; A113-I144 HydrophobicContact CB-CG2 4.43Å; E114-I144 HydrophobicContact CG-CD1 4.38Å; K117-I144 HydrophobicContact CB-CG2 4.2Å; K117-I144 HydrophobicContact CD-CG2 3.77Å; K117-I144 WeakPolarHBondContact CD-O 3.4Å; K117-I144 HydrophobicContact CG-CG2 4.37Å; M140-I144 HydrophobicContact CG-CD1 4.39Å; M140-I144 WeakPolarHBondContact O-CG1 3.38Å; M140-I144 PolarHBondContact O-N 3.39Å; M140-I144 HydrophobicContact SD-CD1 3.41Å; M140-I144 WeakPolarHBondContact SD-CD1 3.4Å; M140-I144 HydrophobicContact SD-CG1 4.36Å; A141-I144 PolarHBondContact O-N 2.88Å; R142-I144 VanDerWaalsContact C-N 3.31Å; R142-I144 PolarHBondContact O-N 3.34Å
145	H	98.1	Very high	96.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-84.6	-43.3	178.2	-69.2	73.7	0	0	0	112	T53 A113 K117 A141 R142 R143 A148 S149 L150 F152	T53-H145 WeakPolarHBondContact CB-NE2 3.24Å; T53-H145 PolarHBondContact OG1-CD2 3.09Å; T53-H145 VanDerWaalsContact OG1-CD2 3.24Å; T53-H145 PolarHBondContact OG1-NE2 3.46Å; A113-H145 PolarHBondContact O-CE1 2.94Å; A113-H145 VanDerWaalsContact O-CE1 3.3Å; K117-H145 PolarHBondContact N-NE2 3.09Å; A141-H145 PolarHBondContact O-ND1 2.87Å; R142-H145 WeakPolarHBondContact O-CB 3.34Å; R142-H145 PolarHBondContact O-N 3.3Å; R143-H145 PolarHBondContact O-N 3.04Å; H145-A148 CarbonylContact O-C 3.6Å; H145-A148 WeakPolarHBondContact O-CA 3.18Å; H145-A148 PolarHBondContact O-N 2.94Å; H145-A148 VanDerWaalsContact O-N 3.08Å; H145-S149 PolarHBondContact O-N 2.86Å; H145-S149 VanDerWaalsContact O-N 3.1Å; H145-L150 HydrophobicContact CB-CB 4.22Å; H145-L150 PolarHBondContact O-N 3.41Å; H145-F152 HydrophobicContact CB-CB 3.93Å; H145-F152 HydrophobicContact CB-CD2 4.17Å; H145-F152 HydrophobicContact CB-CG 4.45Å; H145-F152 AromaticContact CE1-CD2 3.91Å; H145-F152 AromaticContact CG-CD2 3.7Å; H145-F152 AromaticContact ND1-CD2 3.55Å; H145-F152 AromaticContact ND1-CE2 3.99Å
146	E	97	Very high	97	Very high	102 Å²	102	39.4 Å²	39.4	48%	0.477	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-42.8	179	-71.8	175.1	171	0	0	112.2	R142 R143 A148 S149	R142-E146 VanDerWaalsContact CD-OE1 3.32Å; R142-E146 WeakPolarHBondContact CD-OE1 3.5Å; R142-E146 HydrophobicContact CG-CG 4.15Å; R142-E146 WeakPolarHBondContact CG-OE1 3.3Å; R142-E146 PolarHBondContact O-N 3.4Å; R143-E146 PolarHBondContact O-N 3.2Å; E146-A148 PolarHBondContact O-N 3.46Å; E146-A148 VanDerWaalsContact O-N 3.16Å; E146-S149 WeakPolarHBondContact O-CA 3.28Å; E146-S149 PolarHBondContact O-N 3.46Å
147	D	96.4	Very high	97.1	Very high	87 Å²	87	36.1 Å²	36.1	47%	0.465	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.5	175.2	-73	-12.3	0	0	0	112.1	N15 R143	N15-D147 PolarHBondContact ND2-O 3.17Å; R143-D147 VanDerWaalsContact O-CB 3.31Å; R143-D147 WeakPolarHBondContact O-CB 3.49Å; R143-D147 VanDerWaalsContact O-CG 3.25Å; R143-D147 PolarHBondContact O-N 3.13Å
148	A	93.5	Very high	97.2	Very high	45 Å²	45	38.2 Å²	38.2	37%	0.372	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	4.7	174.5	0	0	0	0	0	113.5	K117 H145 E146 L150	K117-A148 HydrophobicContact CD-CB 3.97Å; K117-A148 HydrophobicContact CG-CB 4.23Å; H145-A148 CarbonylContact O-C 3.6Å; H145-A148 WeakPolarHBondContact O-CA 3.18Å; H145-A148 PolarHBondContact O-N 2.94Å; H145-A148 VanDerWaalsContact O-N 3.08Å; E146-A148 PolarHBondContact O-N 3.46Å; E146-A148 VanDerWaalsContact O-N 3.16Å; A148-L150 VanDerWaalsContact C-N 3.29Å; A148-L150 HydrophobicContact CB-CD1 3.97Å; A148-L150 HydrophobicContact CB-CG 4.06Å; A148-L150 PolarHBondContact O-N 2.84Å
149	S	94.6	Very high	97.1	Very high	102 Å²	102	38.4 Å²	38.4	71%	0.713	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	38.8	-176.2	-54.9	0	0	0	0	113.5	H145 E146	H145-S149 PolarHBondContact O-N 2.86Å; H145-S149 VanDerWaalsContact O-N 3.1Å; E146-S149 WeakPolarHBondContact O-CA 3.28Å; E146-S149 PolarHBondContact O-N 3.46Å
150	L	95.2	Very high	96.9	Very high	9 Å²	9	38 Å²	38	5%	0.047	20%	0.204	C	C	.	.			trans	-108.5	135.1	178.8	-61.7	173.9	0	0	0	110.9	K117 A120 D121 H145 A148 F152	K117-L150 HydrophobicContact CB-CD1 4.45Å; K117-L150 HydrophobicContact CG-CD1 3.53Å; K117-L150 WeakPolarHBondContact O-CD1 3.34Å; A120-L150 HydrophobicContact CB-CD1 4.18Å; D121-L150 HydrophobicContact CB-CD1 4.08Å; D121-L150 HydrophobicContact CB-CD2 4.33Å; H145-L150 HydrophobicContact CB-CB 4.22Å; H145-L150 PolarHBondContact O-N 3.41Å; A148-L150 VanDerWaalsContact C-N 3.29Å; A148-L150 HydrophobicContact CB-CD1 3.97Å; A148-L150 HydrophobicContact CB-CG 4.06Å; A148-L150 PolarHBondContact O-N 2.84Å; L150-F152 PolarHBondContact O-N 3.23Å
151	P	95.8	Very high	96.7	Very high	51 Å²	51	38 Å²	38	33%	0.331	20%	0.204	S	C	.	.			trans	-63.3	130.8	175.8	-20	31.4	0	0	0	111.9	C52 T53 I224	C52-P151 HydrophobicContact CB-CB 3.93Å; T53-P151 PolarHBondContact N-O 3.34Å; P151-I224 HydrophobicContact CB-CD1 4.25Å
152	F	98	Very high	96.5	Very high	14 Å²	14	44.3 Å²	44.3	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.8	176.7	-176.4	-87.4	0	0	0	109.3	T53 W55 A141 R142 H145 L150 E154	T53-F152 HydrophobicContact CG2-CD2 3.96Å; T53-F152 HydrophobicContact CG2-CE2 4.02Å; W55-F152 HydrophobicContact CB-CE1 4.05Å; W55-F152 HydrophobicContact CB-CE2 3.82Å; W55-F152 HydrophobicContact CB-CZ 3.38Å; W55-F152 HydrophobicContact CD2-CE2 4.16Å; W55-F152 AromaticContact CD2-CZ 3.98Å; W55-F152 HydrophobicContact CD2-CZ 3.98Å; W55-F152 AromaticContact CE3-CE2 3.85Å; W55-F152 HydrophobicContact CE3-CE2 3.85Å; W55-F152 HydrophobicContact CE3-CZ 4.15Å; W55-F152 HydrophobicContact CG-CE2 4.18Å; W55-F152 AromaticContact CG-CZ 3.67Å; W55-F152 HydrophobicContact CG-CZ 3.67Å; A141-F152 HydrophobicContact CB-CE2 4.14Å; A141-F152 HydrophobicContact CB-CZ 4.12Å; R142-F152 HydrophobicContact CB-CD1 3.81Å; R142-F152 HydrophobicContact CB-CE1 3.86Å; R142-F152 HydrophobicContact CB-CG 4.33Å; R142-F152 HydrophobicContact CB-CZ 4.41Å; R142-F152 HydrophobicContact CG-CD1 3.92Å; R142-F152 HydrophobicContact CG-CE1 4.42Å; R142-F152 HydrophobicContact CG-CG 4.42Å; H145-F152 HydrophobicContact CB-CB 3.93Å; H145-F152 HydrophobicContact CB-CD2 4.17Å; H145-F152 HydrophobicContact CB-CG 4.45Å; H145-F152 AromaticContact CE1-CD2 3.91Å; H145-F152 AromaticContact CG-CD2 3.7Å; H145-F152 AromaticContact ND1-CD2 3.55Å; H145-F152 AromaticContact ND1-CE2 3.99Å; L150-F152 PolarHBondContact O-N 3.23Å; F152-E154 HydrophobicContact CE1-CB 4.16Å
153	I	98.3	Very high	96.2	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.036	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	110.6	-178.3	-61.6	169.1	0	0	0	107.8	T53 I54 W55 C155 E198 Y218 L219 I224	T53-I153 PolarHBondContact O-N 2.94Å; I54-I153 CarbonylContact C-O 3.32Å; I54-I153 WeakPolarHBondContact CA-O 3.27Å; I54-I153 HydrophobicContact CG1-CD1 4.46Å; I54-I153 HydrophobicContact CG2-CG2 4.43Å; W55-I153 PolarHBondContact N-O 3.07Å; I153-C155 PolarHBondContact O-N 2.87Å; I153-E198 HydrophobicContact CG2-CB 3.83Å; I153-E198 HydrophobicContact CG2-CG 4.47Å; I153-Y218 HydrophobicContact CD1-CD1 4.25Å; I153-Y218 HydrophobicContact CD1-CE1 3.84Å; I153-Y218 HydrophobicContact CG1-CE1 4.04Å; I153-Y218 HydrophobicContact CG2-CD1 4.15Å; I153-Y218 HydrophobicContact CG2-CE1 3.71Å; I153-L219 HydrophobicContact CD1-CD2 3.46Å; I153-L219 VanDerWaalsContact CD1-CD2 3.46Å; I153-I224 HydrophobicContact CD1-CD1 3.71Å
154	E	98.5	Very high	96.1	Very high	11 Å²	11	37.6 Å²	37.6	5%	0.051	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	111	171.2	-173.3	172.8	-167.3	0	0	109.6	T57 R138 R142 F152 P197 E198 L199	T57-E154 HydrophobicContact CG2-CG 4.24Å; R138-E154 WeakPolarHBondContact CD-OE1 3.47Å; R138-E154 IonicContact CZ-OE1 3.75Å; R138-E154 IonicContact NE-OE1 2.73Å; R138-E154 PolarHBondContact NE-OE1 3.28Å; R142-E154 VanDerWaalsContact NH2-CB 3.25Å; R142-E154 IonicContact NH2-OE2 2.84Å; R142-E154 PolarHBondContact NH2-OE2 3.08Å; F152-E154 HydrophobicContact CE1-CB 4.16Å; E154-P197 HydrophobicContact CG-CB 4.24Å; E154-E198 WeakPolarHBondContact CB-OE2 3.41Å; E154-E198 PolarHBondContact N-OE2 2.98Å; E154-E198 PolarHBondContact O-N 3.37Å; E154-E198 VanDerWaalsContact O-N 3.13Å; E154-L199 PolarHBondContact O-N 2.85Å
155	C	98.4	Very high	95.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	104.5	178	-174.6	0	0	0	0	109.7	I54 W55 F56 T57 I153 I157 L199	I54-C155 HydrophobicContact CG2-CB 3.98Å; W55-C155 PolarHBondContact O-N 2.97Å; F56-C155 WeakPolarHBondContact CA-O 3.11Å; F56-C155 HydrophobicContact CD1-CB 3.74Å; F56-C155 HydrophobicContact CE1-CB 4.01Å; T57-C155 PolarHBondContact N-O 3.49Å; I153-C155 PolarHBondContact O-N 2.87Å; C155-I157 PolarHBondContact O-N 2.96Å; C155-L199 CarbonylContact C-O 3.14Å; C155-L199 WeakPolarHBondContact CA-O 3.48Å
156	Y	98.4	Very high	95.6	Very high	20 Å²	20	47.2 Å²	47.2	8%	0.078	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	114.8	176.6	178.1	-138.5	0	0	0	110.7	T57 D158 Y191 V193 P194 L199 V200 I201	T57-Y156 HydrophobicContact CG2-CD2 4.27Å; Y156-D158 HydrophobicContact CD1-CB 3.94Å; Y156-D158 HydrophobicContact CE1-CB 3.45Å; Y156-D158 VanDerWaalsContact CE1-CB 3.45Å; Y156-D158 WeakPolarHBondContact CE1-OD1 3.44Å; Y156-D158 HydrophobicContact CE2-CB 4.49Å; Y156-D158 PolarHBondContact O-N 2.75Å; Y156-D158 PolarHBondContact OH-OD1 2.92Å; Y156-Y191 HydrophobicContact CD2-CE1 4.37Å; Y156-Y191 WeakPolarHBondContact CD2-OH 3.49Å; Y156-Y191 AromaticContact CE2-CE1 3.64Å; Y156-Y191 HydrophobicContact CE2-CE1 3.64Å; Y156-Y191 AromaticContact CE2-CZ 3.92Å; Y156-Y191 WeakPolarHBondContact CE2-OH 3.3Å; Y156-V193 HydrophobicContact CD1-CG1 4.33Å; Y156-V193 HydrophobicContact CE1-CG1 3.72Å; Y156-P194 HydrophobicContact CD2-CG 4.04Å; Y156-P194 HydrophobicContact CG-CG 3.94Å; Y156-L199 PolarHBondContact N-O 3.49Å; Y156-V200 HydrophobicContact CD1-CG1 4.01Å; Y156-V200 HydrophobicContact CD1-CG2 4.41Å; Y156-V200 WeakPolarHBondContact O-CA 3.48Å; Y156-I201 PolarHBondContact O-N 2.54Å
157	I	97.9	Very high	95.3	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	90.3	172	-52.6	-52.9	0	0	0	108.7	F56 T57 S62 K64 I67 C155 T159 I201 A203	F56-I157 HydrophobicContact CB-CG1 4.43Å; F56-I157 HydrophobicContact CD1-CD1 3.89Å; F56-I157 HydrophobicContact CD1-CG1 4.26Å; T57-I157 PolarHBondContact O-N 3.45Å; S62-I157 WeakPolarHBondContact O-CG2 3.36Å; K64-I157 HydrophobicContact CB-CG1 4.48Å; K64-I157 HydrophobicContact CG-CB 4.11Å; K64-I157 HydrophobicContact CG-CG1 3.74Å; I67-I157 HydrophobicContact CD1-CD1 3.84Å; I67-I157 HydrophobicContact CD1-CG2 4.33Å; C155-I157 PolarHBondContact O-N 2.96Å; I157-T159 PolarHBondContact O-N 2.89Å; I157-I201 CarbonylContact C-O 2.94Å; I157-I201 HydrophobicContact CD1-CB 3.71Å; I157-I201 HydrophobicContact CD1-CG1 4.13Å; I157-I201 HydrophobicContact CD1-CG2 4.1Å; I157-A203 HydrophobicContact CG2-CB 3.7Å
158	D	96.9	Very high	95	Very high	50 Å²	50	44.4 Å²	44.4	27%	0.267	24%	0.237	S	C	.	.			trans	-79.1	98.6	-179.9	-171.4	34.3	0	0	0	110	Y156 V200 I201 H202 A203	Y156-D158 HydrophobicContact CD1-CB 3.94Å; Y156-D158 HydrophobicContact CE1-CB 3.45Å; Y156-D158 VanDerWaalsContact CE1-CB 3.45Å; Y156-D158 WeakPolarHBondContact CE1-OD1 3.44Å; Y156-D158 HydrophobicContact CE2-CB 4.49Å; Y156-D158 PolarHBondContact O-N 2.75Å; Y156-D158 PolarHBondContact OH-OD1 2.92Å; D158-V200 HydrophobicContact CB-CG1 3.91Å; D158-I201 PolarHBondContact N-O 3.02Å; D158-H202 VanDerWaalsContact O-CA 3.3Å; D158-H202 WeakPolarHBondContact O-CA 3.36Å; D158-H202 IonicContact OD2-CE1 2.78Å; D158-H202 PolarHBondContact OD2-CE1 3.24Å; D158-H202 VanDerWaalsContact OD2-CE1 3.23Å; D158-H202 IonicContact OD2-ND1 2.82Å; D158-H202 PolarHBondContact OD2-ND1 3.24Å; D158-A203 PolarHBondContact O-N 3.49Å
159	T	95.4	Very high	94.6	Very high	4 Å²	4	47.1 Å²	47.1	3%	0.025	25%	0.25	C	S	.	.			trans	-130.7	124.8	176.1	-60	0	0	0	0	107.9	S62 I157 V163 C164 G204	S62-T159 PolarHBondContact O-OG1 2.88Å; I157-T159 PolarHBondContact O-N 2.89Å; T159-V163 HydrophobicContact CG2-CB 3.91Å; T159-V163 HydrophobicContact CG2-CG1 3.78Å; T159-C164 VanDerWaalsContact CG2-SG 3.58Å; T159-G204 PolarHBondContact OG1-N 2.82Å
160	P	93.8	Very high	94.3	Very high	57 Å²	57	47.6 Å²	47.6	37%	0.37	24%	0.239	S	C	.	.			trans	-52.7	144.8	179.1	-27.6	34.7	0	0	0	112.1	E162 V163 C164	P160-E162 WeakPolarHBondContact CB-OE2 3.42Å; P160-E162 PolarHBondContact O-N 3.27Å; P160-V163 HydrophobicContact CB-CG2 4.26Å; P160-V163 HydrophobicContact CG-CG2 4.46Å; P160-V163 PolarHBondContact O-N 3.5Å; P160-V163 VanDerWaalsContact O-N 3.12Å; P160-C164 PolarHBondContact O-N 2.93Å; P160-C164 VanDerWaalsContact O-N 3.07Å; P160-C164 PolarHBondContact O-SG 2.91Å; P160-C164 VanDerWaalsContact O-SG 3.33Å
161	L	93.3	Very high	94.1	Very high	40 Å²	40	48.2 Å²	48.2	21%	0.209	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-38.8	-178.6	175.4	63.5	0	0	0	111	L59 V163 C164 E165 Y173 G186	L59-L161 HydrophobicContact CD1-CB 4.03Å; L59-L161 HydrophobicContact CD1-CD1 4.05Å; L161-V163 VanDerWaalsContact C-N 3.29Å; L161-V163 PolarHBondContact O-N 2.99Å; L161-C164 CarbonylContact O-C 3.36Å; L161-C164 WeakPolarHBondContact O-CA 3.32Å; L161-C164 WeakPolarHBondContact O-CB 3.34Å; L161-C164 PolarHBondContact O-N 3.23Å; L161-C164 VanDerWaalsContact O-N 3.09Å; L161-E165 HydrophobicContact CD1-CG 4.11Å; L161-E165 HydrophobicContact CG-CG 4.27Å; L161-E165 WeakPolarHBondContact O-CB 3.42Å; L161-E165 WeakPolarHBondContact O-CG 3.42Å; L161-E165 PolarHBondContact O-N 2.73Å; L161-Y173 HydrophobicContact CD1-CD1 4.38Å; L161-Y173 HydrophobicContact CD1-CE1 3.5Å; L161-G186 VanDerWaalsContact CD2-O 3.22Å; L161-G186 WeakPolarHBondContact CD2-O 3.21Å
162	E	92.9	Very high	93.8	Very high	133 Å²	133	47.7 Å²	47.7	62%	0.621	24%	0.243	S	C	*	.	H	α-helix	trans	-60.2	-40.7	179.7	-59.8	73.4	-160.3	0	0	111.3	P160 Q166	P160-E162 WeakPolarHBondContact CB-OE2 3.42Å; P160-E162 PolarHBondContact O-N 3.27Å; E162-Q166 VanDerWaalsContact O-CB 3.3Å; E162-Q166 WeakPolarHBondContact O-CB 3.19Å; E162-Q166 PolarHBondContact O-N 2.79Å
163	V	92.6	Very high	93.6	Very high	35 Å²	35	47.2 Å²	47.2	21%	0.212	24%	0.24	C	C	.	.	H	α-helix	trans	-70	-38.7	176.3	177.5	0	0	0	0	110.6	T159 P160 L161 Q166 R167	T159-V163 HydrophobicContact CG2-CB 3.91Å; T159-V163 HydrophobicContact CG2-CG1 3.78Å; P160-V163 HydrophobicContact CB-CG2 4.26Å; P160-V163 HydrophobicContact CG-CG2 4.46Å; P160-V163 PolarHBondContact O-N 3.5Å; P160-V163 VanDerWaalsContact O-N 3.12Å; L161-V163 VanDerWaalsContact C-N 3.29Å; L161-V163 PolarHBondContact O-N 2.99Å; V163-Q166 PolarHBondContact O-N 3.45Å; V163-R167 WeakPolarHBondContact O-CB 3.27Å; V163-R167 VanDerWaalsContact O-CG 3.24Å; V163-R167 WeakPolarHBondContact O-CG 3.34Å; V163-R167 PolarHBondContact O-N 3.49Å
164	C	94.5	Very high	93.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-45.3	175.9	-63.8	0	0	0	0	111.9	S60 T159 P160 L161 R167 D168 Y173	S60-C164 WeakPolarHBondContact O-CB 3.47Å; T159-C164 VanDerWaalsContact CG2-SG 3.58Å; P160-C164 PolarHBondContact O-N 2.93Å; P160-C164 VanDerWaalsContact O-N 3.07Å; P160-C164 PolarHBondContact O-SG 2.91Å; P160-C164 VanDerWaalsContact O-SG 3.33Å; L161-C164 CarbonylContact O-C 3.36Å; L161-C164 WeakPolarHBondContact O-CA 3.32Å; L161-C164 WeakPolarHBondContact O-CB 3.34Å; L161-C164 PolarHBondContact O-N 3.23Å; L161-C164 VanDerWaalsContact O-N 3.09Å; C164-R167 PolarHBondContact O-N 3.38Å; C164-D168 PolarHBondContact O-N 3.12Å; C164-Y173 HydrophobicContact CB-CE2 3.87Å; C164-Y173 WeakPolarHBondContact CB-OH 3.34Å
165	E	93.7	Very high	93.1	Very high	61 Å²	61	61 Å²	61	29%	0.285	29%	0.292	S	S	.	.	H	α-helix	trans	-64.2	-38.5	175.4	-76.3	-166.1	-177.7	0	0	112	L161 D168 Y173 R177 I187	L161-E165 HydrophobicContact CD1-CG 4.11Å; L161-E165 HydrophobicContact CG-CG 4.27Å; L161-E165 WeakPolarHBondContact O-CB 3.42Å; L161-E165 WeakPolarHBondContact O-CG 3.42Å; L161-E165 PolarHBondContact O-N 2.73Å; E165-D168 VanDerWaalsContact O-CB 3.3Å; E165-D168 WeakPolarHBondContact O-CB 3.46Å; E165-Y173 HydrophobicContact CB-CG 4.37Å; E165-Y173 HydrophobicContact CG-CD1 3.52Å; E165-Y173 HydrophobicContact CG-CD2 4.35Å; E165-Y173 HydrophobicContact CG-CE1 3.97Å; E165-Y173 HydrophobicContact CG-CG 3.73Å; E165-R177 IonicContact OE1-CZ 3.96Å; E165-R177 IonicContact OE1-NE 3.25Å; E165-R177 PolarHBondContact OE1-NE 2.7Å; E165-R177 IonicContact OE1-NH2 3.43Å; E165-R177 PolarHBondContact OE1-NH2 3.16Å; E165-R177 IonicContact OE2-NH2 2.95Å; E165-I187 WeakPolarHBondContact OE1-CD1 3.14Å
166	Q	93	Very high	92.7	Very high	162 Å²	162	61.2 Å²	61.2	76%	0.757	29%	0.293	S	S	*	.	H	α-helix	trans	-64.4	-40.8	175.4	-174.9	-173.6	10	0	0	111.7	E162 V163	E162-Q166 VanDerWaalsContact O-CB 3.3Å; E162-Q166 WeakPolarHBondContact O-CB 3.19Å; E162-Q166 PolarHBondContact O-N 2.79Å; V163-Q166 PolarHBondContact O-N 3.45Å
167	R	90.5	Very high	92.5	Very high	109 Å²	109	67.3 Å²	67.3	41%	0.411	32%	0.316	S	S	.	.	H	α-helix	trans	-70.2	-43.8	179.7	-71.9	169.7	-178.2	-179.6	1	112	S62 V163 C164 P169 A203	S62-R167 PolarHBondContact O-NH1 3.27Å; V163-R167 WeakPolarHBondContact O-CB 3.27Å; V163-R167 VanDerWaalsContact O-CG 3.24Å; V163-R167 WeakPolarHBondContact O-CG 3.34Å; V163-R167 PolarHBondContact O-N 3.49Å; C164-R167 PolarHBondContact O-N 3.38Å; R167-P169 VanDerWaalsContact C-CD 3.44Å; R167-P169 VanDerWaalsContact C-N 3.3Å; R167-P169 WeakPolarHBondContact O-CD 3.11Å; R167-A203 PolarHBondContact NH2-O 2.92Å
168	D	90.7	Very high	92.2	Very high	22 Å²	22	72.9 Å²	72.9	12%	0.118	34%	0.343	C	S	.	.			trans	16.9	59.6	-177.9	-165.3	21.6	0	0	0	116	C164 E165 K170 G171 L172 Y173 R174	C164-D168 PolarHBondContact O-N 3.12Å; E165-D168 VanDerWaalsContact O-CB 3.3Å; E165-D168 WeakPolarHBondContact O-CB 3.46Å; D168-K170 PolarHBondContact O-N 3.24Å; D168-G171 VanDerWaalsContact CG-CA 3.44Å; D168-G171 PolarHBondContact O-N 3.4Å; D168-G171 VanDerWaalsContact OD1-C 3.29Å; D168-G171 WeakPolarHBondContact OD1-CA 3.32Å; D168-G171 PolarHBondContact OD1-N 2.94Å; D168-G171 WeakPolarHBondContact OD2-CA 3.26Å; D168-L172 PolarHBondContact OD1-N 3.18Å; D168-L172 PolarHBondContact OD2-N 3.17Å; D168-Y173 HydrophobicContact CB-CD2 4.15Å; D168-Y173 PolarHBondContact OD1-N 3.3Å; D168-Y173 PolarHBondContact OD2-N 3.37Å; D168-R174 PolarHBondContact OD2-N 3.22Å
169	P	85.2	Confident	91.8	Very high	101 Å²	101	73.5 Å²	73.5	66%	0.656	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.4	-166.3	25.6	-35.6	0	0	0	113.3	R167	R167-P169 VanDerWaalsContact C-CD 3.44Å; R167-P169 VanDerWaalsContact C-N 3.3Å; R167-P169 WeakPolarHBondContact O-CD 3.11Å
170	K	87.1	Confident	91.6	Very high	112 Å²	112	79.5 Å²	79.5	49%	0.487	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	1.8	-179.7	-66.1	176.8	-176.1	175.6	0	112.6	D88 D168 L172	D88-K170 IonicContact OD1-NZ 3.37Å; D88-K170 WeakPolarHBondContact OD2-CE 3.37Å; D88-K170 IonicContact OD2-NZ 3.75Å; D88-K170 PolarHBondContact OD2-NZ 3.33Å; D168-K170 PolarHBondContact O-N 3.24Å; K170-L172 HydrophobicContact CB-CD1 3.97Å; K170-L172 HydrophobicContact CB-CD2 4.49Å; K170-L172 HydrophobicContact CB-CG 3.73Å; K170-L172 HydrophobicContact CD-CD1 4.17Å; K170-L172 PolarHBondContact O-N 3.33Å
171	G	90.3	Very high	91.2	Very high	22 Å²	22	78.4 Å²	78.4	23%	0.227	38%	0.378	C	S	.	.	S	Bend	trans	65.6	21.4	-177	0	0	0	0	0	114.2	D168 R175	D168-G171 VanDerWaalsContact CG-CA 3.44Å; D168-G171 PolarHBondContact O-N 3.4Å; D168-G171 VanDerWaalsContact OD1-C 3.29Å; D168-G171 WeakPolarHBondContact OD1-CA 3.32Å; D168-G171 PolarHBondContact OD1-N 2.94Å; D168-G171 WeakPolarHBondContact OD2-CA 3.26Å; G171-R175 WeakPolarHBondContact O-CD 3.4Å; G171-R175 VanDerWaalsContact O-CG 3.23Å; G171-R175 WeakPolarHBondContact O-CG 3.41Å; G171-R175 PolarHBondContact O-N 3.15Å
172	L	91.5	Very high	90.7	Very high	41 Å²	41	80.8 Å²	80.8	22%	0.215	40%	0.396	C	S	.	.	H	α-helix	trans	-76.5	-42	-174	-63.7	175.5	0	0	0	111.4	D168 K170 R175 A176 I181 F184	D168-L172 PolarHBondContact OD1-N 3.18Å; D168-L172 PolarHBondContact OD2-N 3.17Å; K170-L172 HydrophobicContact CB-CD1 3.97Å; K170-L172 HydrophobicContact CB-CD2 4.49Å; K170-L172 HydrophobicContact CB-CG 3.73Å; K170-L172 HydrophobicContact CD-CD1 4.17Å; K170-L172 PolarHBondContact O-N 3.33Å; L172-R175 PolarHBondContact O-N 3.29Å; L172-A176 WeakPolarHBondContact O-CB 3.45Å; L172-A176 PolarHBondContact O-N 2.72Å; L172-I181 HydrophobicContact CD2-CD1 3.85Å; L172-F184 HydrophobicContact CB-CE2 3.82Å; L172-F184 HydrophobicContact CB-CZ 3.64Å; L172-F184 HydrophobicContact CD1-CE2 4.24Å; L172-F184 HydrophobicContact CD1-CZ 4.34Å
173	Y	93.2	Very high	90.3	Very high	4 Å²	4	79.1 Å²	79.1	2%	0.016	39%	0.391	C	S	.	.	H	α-helix	trans	-62.9	-44.9	177.8	-75.4	-74.4	0	0	0	111.1	S60 L161 C164 E165 D168 R175 A176 R177 F184 I187	S60-Y173 VanDerWaalsContact O-CE2 3.32Å; S60-Y173 WeakPolarHBondContact O-CE2 3.43Å; S60-Y173 PolarHBondContact O-OH 2.84Å; L161-Y173 HydrophobicContact CD1-CD1 4.38Å; L161-Y173 HydrophobicContact CD1-CE1 3.5Å; C164-Y173 HydrophobicContact CB-CE2 3.87Å; C164-Y173 WeakPolarHBondContact CB-OH 3.34Å; E165-Y173 HydrophobicContact CB-CG 4.37Å; E165-Y173 HydrophobicContact CG-CD1 3.52Å; E165-Y173 HydrophobicContact CG-CD2 4.35Å; E165-Y173 HydrophobicContact CG-CE1 3.97Å; E165-Y173 HydrophobicContact CG-CG 3.73Å; D168-Y173 HydrophobicContact CB-CD2 4.15Å; D168-Y173 PolarHBondContact OD1-N 3.3Å; D168-Y173 PolarHBondContact OD2-N 3.37Å; Y173-R175 VanDerWaalsContact C-N 3.29Å; Y173-R175 PolarHBondContact O-N 3.31Å; Y173-A176 PolarHBondContact O-N 3.14Å; Y173-R177 WeakPolarHBondContact O-CG 3.25Å; Y173-R177 PolarHBondContact O-N 3.3Å; Y173-F184 HydrophobicContact CD1-CD1 4.29Å; Y173-F184 AromaticContact CD1-CE1 3.66Å; Y173-F184 HydrophobicContact CD1-CE1 3.66Å; Y173-F184 HydrophobicContact CE1-CD1 4.33Å; Y173-F184 AromaticContact CE1-CE1 3.6Å; Y173-F184 HydrophobicContact CE1-CE1 3.6Å; Y173-F184 HydrophobicContact CG-CE1 4.18Å; Y173-I187 HydrophobicContact CD1-CD1 4.03Å; Y173-I187 HydrophobicContact CD1-CG1 4.21Å; Y173-I187 HydrophobicContact CE1-CD1 4.38Å
174	R	92.7	Very high	90.1	Very high	183 Å²	183	78.5 Å²	78.5	69%	0.691	39%	0.385	S	S	*	.	H	α-helix	trans	-57.6	-42.8	175	-169.3	-177.9	-58	174.3	3.8	112	D168 M178	D168-R174 PolarHBondContact OD2-N 3.22Å; R174-M178 VanDerWaalsContact O-CG 3.23Å; R174-M178 WeakPolarHBondContact O-CG 3.33Å; R174-M178 PolarHBondContact O-N 3.33Å
175	R	92.4	Very high	89.7	Confident	125 Å²	125	78.8 Å²	78.8	47%	0.472	39%	0.387	S	S	.	.	H	α-helix	trans	-69.6	-39.1	178.7	-73.7	173.3	65.2	175.9	0.4	112.6	G171 L172 Y173 M178 G179 K180 I181	G171-R175 WeakPolarHBondContact O-CD 3.4Å; G171-R175 VanDerWaalsContact O-CG 3.23Å; G171-R175 WeakPolarHBondContact O-CG 3.41Å; G171-R175 PolarHBondContact O-N 3.15Å; L172-R175 PolarHBondContact O-N 3.29Å; Y173-R175 VanDerWaalsContact C-N 3.29Å; Y173-R175 PolarHBondContact O-N 3.31Å; R175-M178 PolarHBondContact O-N 3.22Å; R175-G179 PolarHBondContact O-N 3.29Å; R175-K180 HydrophobicContact CB-CB 4.33Å; R175-K180 WeakPolarHBondContact O-CB 3.44Å; R175-K180 PolarHBondContact O-N 2.98Å; R175-I181 HydrophobicContact CB-CD1 3.61Å; R175-I181 HydrophobicContact CB-CG1 3.92Å
176	A	91.7	Very high	89.3	Confident	3 Å²	3	77 Å²	77	3%	0.025	39%	0.385	C	S	.	.	H	α-helix	trans	-62.2	-48.8	174.9	0	0	0	0	0	111.1	L172 Y173 M178 G179 I181 F184 I187	L172-A176 WeakPolarHBondContact O-CB 3.45Å; L172-A176 PolarHBondContact O-N 2.72Å; Y173-A176 PolarHBondContact O-N 3.14Å; A176-M178 PolarHBondContact O-N 2.74Å; A176-G179 WeakPolarHBondContact O-CA 3.47Å; A176-G179 PolarHBondContact O-N 2.84Å; A176-I181 HydrophobicContact CB-CB 4.48Å; A176-F184 HydrophobicContact CB-CB 3.63Å; A176-F184 HydrophobicContact CB-CD1 3.76Å; A176-F184 HydrophobicContact CB-CD2 4.49Å; A176-F184 HydrophobicContact CB-CG 3.7Å; A176-I187 HydrophobicContact CB-CG1 4.23Å
177	R	92.5	Very high	89	Confident	149 Å²	149	71 Å²	71	56%	0.562	36%	0.357	S	S	*	.	H	α-helix	trans	-61.2	-26	175.8	-67.7	-67.7	-170	-176.5	0.7	113.8	E165 Y173 G179 I187	E165-R177 IonicContact OE1-CZ 3.96Å; E165-R177 IonicContact OE1-NE 3.25Å; E165-R177 PolarHBondContact OE1-NE 2.7Å; E165-R177 IonicContact OE1-NH2 3.43Å; E165-R177 PolarHBondContact OE1-NH2 3.16Å; E165-R177 IonicContact OE2-NH2 2.95Å; Y173-R177 WeakPolarHBondContact O-CG 3.25Å; Y173-R177 PolarHBondContact O-N 3.3Å; R177-G179 VanDerWaalsContact C-N 3.26Å; R177-I187 VanDerWaalsContact CZ-CD1 3.44Å
178	M	92.5	Very high	88.8	Confident	117 Å²	117	70.5 Å²	70.5	58%	0.576	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	2.6	171.8	-68.3	176.6	82.8	0	0	113.8	R174 R175 A176 K180	R174-M178 VanDerWaalsContact O-CG 3.23Å; R174-M178 WeakPolarHBondContact O-CG 3.33Å; R174-M178 PolarHBondContact O-N 3.33Å; R175-M178 PolarHBondContact O-N 3.22Å; A176-M178 PolarHBondContact O-N 2.74Å; M178-K180 VanDerWaalsContact C-N 3.26Å; M178-K180 HydrophobicContact CB-CD 4.38Å; M178-K180 HydrophobicContact CB-CG 4.14Å; M178-K180 PolarHBondContact O-N 3.13Å
179	G	89	Confident	88.5	Confident	63 Å²	63	70.7 Å²	70.7	65%	0.649	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	14.2	-175.7	0	0	0	0	0	114.6	R175 A176 R177	R175-G179 PolarHBondContact O-N 3.29Å; A176-G179 WeakPolarHBondContact O-CA 3.47Å; A176-G179 PolarHBondContact O-N 2.84Å; R177-G179 VanDerWaalsContact C-N 3.26Å
180	K	90.5	Very high	88.6	Confident	130 Å²	130	69.1 Å²	69.1	57%	0.565	36%	0.362	S	S	*	.	S	Bend	trans	-86.1	-15.2	-177.9	-64.6	-178.3	175.8	178.1	0	113.8	R175 M178	R175-K180 HydrophobicContact CB-CB 4.33Å; R175-K180 WeakPolarHBondContact O-CB 3.44Å; R175-K180 PolarHBondContact O-N 2.98Å; M178-K180 VanDerWaalsContact C-N 3.26Å; M178-K180 HydrophobicContact CB-CD 4.38Å; M178-K180 HydrophobicContact CB-CG 4.14Å; M178-K180 PolarHBondContact O-N 3.13Å
181	I	84.9	Confident	88.9	Confident	34 Å²	34	65.3 Å²	65.3	17%	0.174	34%	0.344	C	S	.	.	S	Bend	trans	-128.9	98.7	176.1	-56.6	174.5	0	0	0	106.2	L172 R175 A176 F184	L172-I181 HydrophobicContact CD2-CD1 3.85Å; R175-I181 HydrophobicContact CB-CD1 3.61Å; R175-I181 HydrophobicContact CB-CG1 3.92Å; A176-I181 HydrophobicContact CB-CB 4.48Å; I181-F184 HydrophobicContact CG2-CB 4.31Å; I181-F184 HydrophobicContact CG2-CD2 3.92Å
182	P	84.4	Confident	89.1	Confident	91 Å²	91	68.1 Å²	68.1	59%	0.591	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	158.6	175.4	29.3	-33.9	0	0	0	111	F184	P182-F184 VanDerWaalsContact C-N 3.26Å; P182-F184 PolarHBondContact O-N 3Å
183	D	83.4	Confident	89.3	Confident	98 Å²	98	70 Å²	70	52%	0.524	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	39.7	174	-52.6	-44.4	0	0	0	114	R105	R105-D183 PolarHBondContact NH1-O 2.73Å; R105-D183 PolarHBondContact NH2-O 3Å
184	F	87.8	Confident	89.5	Confident	21 Å²	21	70.3 Å²	70.3	9%	0.092	37%	0.367	C	S	.	.			trans	-80.9	123.2	179	-166	-101.3	0	0	0	110.9	L172 Y173 A176 I181 P182 G186 I187 D188 S189	L172-F184 HydrophobicContact CB-CE2 3.82Å; L172-F184 HydrophobicContact CB-CZ 3.64Å; L172-F184 HydrophobicContact CD1-CE2 4.24Å; L172-F184 HydrophobicContact CD1-CZ 4.34Å; Y173-F184 HydrophobicContact CD1-CD1 4.29Å; Y173-F184 AromaticContact CD1-CE1 3.66Å; Y173-F184 HydrophobicContact CD1-CE1 3.66Å; Y173-F184 HydrophobicContact CE1-CD1 4.33Å; Y173-F184 AromaticContact CE1-CE1 3.6Å; Y173-F184 HydrophobicContact CE1-CE1 3.6Å; Y173-F184 HydrophobicContact CG-CE1 4.18Å; A176-F184 HydrophobicContact CB-CB 3.63Å; A176-F184 HydrophobicContact CB-CD1 3.76Å; A176-F184 HydrophobicContact CB-CD2 4.49Å; A176-F184 HydrophobicContact CB-CG 3.7Å; I181-F184 HydrophobicContact CG2-CB 4.31Å; I181-F184 HydrophobicContact CG2-CD2 3.92Å; P182-F184 VanDerWaalsContact C-N 3.26Å; P182-F184 PolarHBondContact O-N 3Å; F184-G186 PolarHBondContact O-N 3.22Å; F184-I187 HydrophobicContact CD1-CG1 3.96Å; F184-I187 PolarHBondContact O-N 3.29Å; F184-D188 PolarHBondContact O-N 3.45Å; F184-D188 VanDerWaalsContact O-N 3.09Å; F184-S189 PolarHBondContact O-N 2.94Å
185	T	87.3	Confident	89.6	Confident	7 Å²	7	65.9 Å²	65.9	4%	0.043	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-58.5	126	-179.3	-56.4	0	0	0	0	111.6	L59 I131 P133 S189 Y191	L59-T185 HydrophobicContact CD2-CG2 4.2Å; I131-T185 HydrophobicContact CG2-CG2 3.88Å; P133-T185 HydrophobicContact CB-CG2 3.75Å; T185-S189 WeakPolarHBondContact CA-O 3.04Å; T185-Y191 HydrophobicContact CG2-CD2 4.06Å; T185-Y191 HydrophobicContact CG2-CG 4.48Å
186	G	84.8	Confident	89.7	Confident	22 Å²	22	66.3 Å²	66.3	23%	0.227	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.2	-11.3	-176.8	0	0	0	0	0	114.7	L161 F184 S189	L161-G186 VanDerWaalsContact CD2-O 3.22Å; L161-G186 WeakPolarHBondContact CD2-O 3.21Å; F184-G186 PolarHBondContact O-N 3.22Å; G186-S189 PolarHBondContact N-O 3.33Å
187	I	87.1	Confident	90	Very high	36 Å²	36	67.5 Å²	67.5	19%	0.185	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-68.6	175	-53.2	-55.7	0	0	0	110.3	E165 Y173 A176 R177 F184	E165-I187 WeakPolarHBondContact OE1-CD1 3.14Å; Y173-I187 HydrophobicContact CD1-CD1 4.03Å; Y173-I187 HydrophobicContact CD1-CG1 4.21Å; Y173-I187 HydrophobicContact CE1-CD1 4.38Å; A176-I187 HydrophobicContact CB-CG1 4.23Å; R177-I187 VanDerWaalsContact CZ-CD1 3.44Å; F184-I187 HydrophobicContact CD1-CG1 3.96Å; F184-I187 PolarHBondContact O-N 3.29Å
188	D	85.7	Confident	90.2	Very high	99 Å²	99	63.2 Å²	63.2	53%	0.529	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-12.9	-175.3	-53	-58	0	0	0	112.2	F184	F184-D188 PolarHBondContact O-N 3.45Å; F184-D188 VanDerWaalsContact O-N 3.09Å
189	S	85.5	Confident	90.4	Very high	26 Å²	26	58.8 Å²	58.8	18%	0.182	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-127.5	139.7	179	176.2	0	0	0	0	110.5	F184 T185 G186	F184-S189 PolarHBondContact O-N 2.94Å; T185-S189 WeakPolarHBondContact CA-O 3.04Å; G186-S189 PolarHBondContact N-O 3.33Å
190	A	86.9	Confident	90.9	Very high	68 Å²	68	58.3 Å²	58.3	56%	0.562	33%	0.329	S	S	*	.			trans	-71.3	155	-177.3	0	0	0	0	0	112.8
191	Y	93.2	Very high	91.2	Very high	32 Å²	32	52.1 Å²	52.1	13%	0.125	30%	0.302	C	S	.	.			trans	-116.7	116.8	166.2	178.7	-86.9	0	0	0	107.7	T57 G58 L59 I131 P133 Y156 T185 V193	T57-Y191 PolarHBondContact OG1-OH 3.38Å; G58-Y191 VanDerWaalsContact CA-OH 3.26Å; G58-Y191 WeakPolarHBondContact CA-OH 3.46Å; G58-Y191 PolarHBondContact N-OH 2.96Å; G58-Y191 VanDerWaalsContact N-OH 3.08Å; L59-Y191 HydrophobicContact CD2-CD2 4.08Å; L59-Y191 HydrophobicContact CD2-CG 3.91Å; I131-Y191 HydrophobicContact CG2-CD2 4.38Å; I131-Y191 WeakPolarHBondContact O-CE2 3.35Å; P133-Y191 HydrophobicContact CB-CD2 4.03Å; Y156-Y191 HydrophobicContact CD2-CE1 4.37Å; Y156-Y191 WeakPolarHBondContact CD2-OH 3.49Å; Y156-Y191 AromaticContact CE2-CE1 3.64Å; Y156-Y191 HydrophobicContact CE2-CE1 3.64Å; Y156-Y191 AromaticContact CE2-CZ 3.92Å; Y156-Y191 WeakPolarHBondContact CE2-OH 3.3Å; T185-Y191 HydrophobicContact CG2-CD2 4.06Å; T185-Y191 HydrophobicContact CG2-CG 4.48Å; Y191-V193 HydrophobicContact CD1-CG2 4.24Å; Y191-V193 HydrophobicContact CE1-CG2 4.4Å; Y191-V193 PolarHBondContact O-N 3.44Å
192	E	95	Very high	91.6	Very high	81 Å²	81	53.2 Å²	53.2	38%	0.379	31%	0.306	S	S	.	.			trans	-82.6	105.5	178.6	-62.8	173.9	179.4	0	0	109	P133 F134 E135 R138	P133-E192 WeakPolarHBondContact O-CB 3.32Å; P133-E192 PolarHBondContact O-N 2.71Å; F134-E192 WeakPolarHBondContact CA-OE2 3.41Å; E135-E192 HydrophobicContact CB-CB 4.5Å; E135-E192 WeakPolarHBondContact CB-OE2 3.44Å; E135-E192 PolarHBondContact N-OE2 2.86Å; R138-E192 VanDerWaalsContact CZ-O 3.31Å; R138-E192 PolarHBondContact NH1-O 3.37Å; R138-E192 PolarHBondContact NH2-O 3.49Å
193	V	95.7	Very high	91.8	Very high	82 Å²	82	49.2 Å²	49.2	50%	0.497	28%	0.281	S	S	.	.			trans	-58.3	128.3	179.5	178.9	0	0	0	0	109.8	Y156 Y191 T195	Y156-V193 HydrophobicContact CD1-CG1 4.33Å; Y156-V193 HydrophobicContact CE1-CG1 3.72Å; Y191-V193 HydrophobicContact CD1-CG2 4.24Å; Y191-V193 HydrophobicContact CE1-CG2 4.4Å; Y191-V193 PolarHBondContact O-N 3.44Å; V193-T195 PolarHBondContact O-N 3.44Å
194	P	96.3	Very high	92	Very high	9 Å²	9	46 Å²	46	6%	0.058	27%	0.271	C	S	.	.			trans	-53.8	126.7	176	-27.5	35.7	0	0	0	111.9	T57 Y156 P197	T57-P194 HydrophobicContact CG2-CG 3.73Å; Y156-P194 HydrophobicContact CD2-CG 4.04Å; Y156-P194 HydrophobicContact CG-CG 3.94Å; P194-P197 HydrophobicContact CB-CB 3.93Å; P194-P197 HydrophobicContact CB-CG 3.96Å; P194-P197 WeakPolarHBondContact O-CD 3.43Å
195	T	94.9	Very high	92	Very high	91 Å²	91	52 Å²	52	56%	0.558	30%	0.299	S	S	*	.	S	Bend	trans	-79.2	-35.6	-178.4	54.8	0	0	0	0	112.4	E135 V193	E135-T195 PolarHBondContact OE1-OG1 3.45Å; V193-T195 PolarHBondContact O-N 3.44Å
196	N	94.9	Very high	91.7	Very high	133 Å²	133	53.4 Å²	53.4	71%	0.711	31%	0.305	S	S	*	.	S	Bend	trans	-136.1	57.2	-179.7	-62.2	-60.5	0	0	0	112.7
197	P	97.1	Very high	91.6	Very high	28 Å²	28	55.5 Å²	55.5	18%	0.182	32%	0.317	C	S	.	.			trans	-68.8	145.6	174.3	31.4	-34.3	0	0	0	110.5	E154 P194 L199 V200	E154-P197 HydrophobicContact CG-CB 4.24Å; P194-P197 HydrophobicContact CB-CB 3.93Å; P194-P197 HydrophobicContact CB-CG 3.96Å; P194-P197 WeakPolarHBondContact O-CD 3.43Å; P197-L199 PolarHBondContact O-N 2.87Å; P197-V200 HydrophobicContact CG-CG2 3.58Å
198	E	97.9	Very high	91.3	Very high	60 Å²	60	57.3 Å²	57.3	28%	0.28	33%	0.326	S	S	.	.	S	Bend	trans	-61.8	-31.6	172.1	-81.4	76	-154.5	0	0	112.6	R142 I153 E154 Y218	R142-E198 IonicContact CZ-OE1 3.79Å; R142-E198 IonicContact CZ-OE2 3.43Å; R142-E198 IonicContact NH1-OE1 2.71Å; R142-E198 PolarHBondContact NH1-OE1 2.88Å; R142-E198 IonicContact NH1-OE2 2.82Å; R142-E198 PolarHBondContact NH1-OE2 3.36Å; R142-E198 IonicContact NH2-OE1 3.4Å; R142-E198 PolarHBondContact NH2-OE1 3.13Å; R142-E198 IonicContact NH2-OE2 3.85Å; R142-E198 PolarHBondContact NH2-OE2 3.32Å; I153-E198 HydrophobicContact CG2-CB 3.83Å; I153-E198 HydrophobicContact CG2-CG 4.47Å; E154-E198 WeakPolarHBondContact CB-OE2 3.41Å; E154-E198 PolarHBondContact N-OE2 2.98Å; E154-E198 PolarHBondContact O-N 3.37Å; E154-E198 VanDerWaalsContact O-N 3.13Å; E198-Y218 HydrophobicContact CB-CE1 4.11Å; E198-Y218 HydrophobicContact CB-CE2 4.39Å; E198-Y218 VanDerWaalsContact CB-OH 3.27Å; E198-Y218 WeakPolarHBondContact CB-OH 3.23Å; E198-Y218 WeakPolarHBondContact CG-OH 3.28Å; E198-Y218 WeakPolarHBondContact O-CE2 3.39Å
199	L	97.1	Very high	90.8	Very high	23 Å²	23	55.3 Å²	55.3	12%	0.12	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	135.3	-177.6	-171	63.8	0	0	0	112	E154 C155 Y156 P197 I201 V215 Y218	E154-L199 PolarHBondContact O-N 2.85Å; C155-L199 CarbonylContact C-O 3.14Å; C155-L199 WeakPolarHBondContact CA-O 3.48Å; Y156-L199 PolarHBondContact N-O 3.49Å; P197-L199 PolarHBondContact O-N 2.87Å; L199-I201 HydrophobicContact CD1-CD1 4.33Å; L199-I201 HydrophobicContact CD2-CD1 3.93Å; L199-I201 HydrophobicContact CD2-CG1 4.18Å; L199-I201 HydrophobicContact CG-CD1 3.95Å; L199-I201 HydrophobicContact CG-CG1 4.13Å; L199-V215 HydrophobicContact CD2-CB 4.13Å; L199-V215 HydrophobicContact CD2-CG1 4.36Å; L199-V215 HydrophobicContact CD2-CG2 3.74Å; L199-Y218 HydrophobicContact CD1-CD2 4.37Å; L199-Y218 HydrophobicContact CD1-CG 4.35Å; L199-Y218 HydrophobicContact CD2-CG 4.46Å
200	V	97.7	Very high	90.4	Very high	54 Å²	54	60.5 Å²	60.5	33%	0.327	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.5	172.5	-175.1	0	0	0	0	110.1	Y156 D158 P197	Y156-V200 HydrophobicContact CD1-CG1 4.01Å; Y156-V200 HydrophobicContact CD1-CG2 4.41Å; Y156-V200 WeakPolarHBondContact O-CA 3.48Å; D158-V200 HydrophobicContact CB-CG1 3.91Å; P197-V200 HydrophobicContact CG-CG2 3.58Å
201	I	96.7	Very high	90.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	110.7	-178	-59.9	-64.3	0	0	0	110.1	I67 Y156 I157 D158 L199 A203 C211 K214 V215	I67-I201 HydrophobicContact CD1-CG2 4.03Å; Y156-I201 PolarHBondContact O-N 2.54Å; I157-I201 CarbonylContact C-O 2.94Å; I157-I201 HydrophobicContact CD1-CB 3.71Å; I157-I201 HydrophobicContact CD1-CG1 4.13Å; I157-I201 HydrophobicContact CD1-CG2 4.1Å; D158-I201 PolarHBondContact N-O 3.02Å; L199-I201 HydrophobicContact CD1-CD1 4.33Å; L199-I201 HydrophobicContact CD2-CD1 3.93Å; L199-I201 HydrophobicContact CD2-CG1 4.18Å; L199-I201 HydrophobicContact CG-CD1 3.95Å; L199-I201 HydrophobicContact CG-CG1 4.13Å; I201-A203 VanDerWaalsContact C-N 3.32Å; I201-A203 HydrophobicContact CG2-CB 4.36Å; I201-A203 PolarHBondContact O-N 2.65Å; I201-C211 HydrophobicContact CG2-CB 3.6Å; I201-C211 WeakPolarHBondContact CG2-SG 3.34Å; I201-K214 HydrophobicContact CD1-CB 3.56Å; I201-K214 HydrophobicContact CD1-CD 3.9Å; I201-K214 HydrophobicContact CD1-CG 4.39Å; I201-V215 HydrophobicContact CD1-CG2 4.24Å; I201-V215 HydrophobicContact CG1-CG2 4.37Å
202	H	93.8	Very high	90.1	Very high	56 Å²	56	56 Å²	56	26%	0.259	30%	0.304	S	S	.	.			trans	-79.3	74.3	175.2	-51.7	-69	0	0	0	111.8	D158 G204 E205 H206	D158-H202 VanDerWaalsContact O-CA 3.3Å; D158-H202 WeakPolarHBondContact O-CA 3.36Å; D158-H202 IonicContact OD2-CE1 2.78Å; D158-H202 PolarHBondContact OD2-CE1 3.24Å; D158-H202 VanDerWaalsContact OD2-CE1 3.23Å; D158-H202 IonicContact OD2-ND1 2.82Å; D158-H202 PolarHBondContact OD2-ND1 3.24Å; H202-G204 PolarHBondContact O-N 3.19Å; H202-E205 HydrophobicContact CB-CB 4.26Å; H202-E205 HydrophobicContact CB-CG 4.4Å; H202-E205 PolarHBondContact O-N 3.27Å; H202-E205 VanDerWaalsContact O-N 3.12Å; H202-H206 WeakPolarHBondContact O-CB 3.29Å; H202-H206 PolarHBondContact O-N 3.1Å; H202-H206 PolarHBondContact O-ND1 2.74Å
203	A	89.8	Confident	89.5	Confident	8 Å²	8	57.5 Å²	57.5	7%	0.066	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-6.9	-176.3	0	0	0	0	0	114.3	S62 I67 I157 D158 R167 I201	S62-A203 WeakPolarHBondContact O-CB 3.3Å; I67-A203 HydrophobicContact CD1-CB 3.86Å; I157-A203 HydrophobicContact CG2-CB 3.7Å; D158-A203 PolarHBondContact O-N 3.49Å; R167-A203 PolarHBondContact NH2-O 2.92Å; I201-A203 VanDerWaalsContact C-N 3.32Å; I201-A203 HydrophobicContact CG2-CB 4.36Å; I201-A203 PolarHBondContact O-N 2.65Å
204	G	87.2	Confident	89.1	Confident	29 Å²	29	57 Å²	57	30%	0.299	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-25.7	166.4	0	0	0	0	0	113.4	T159 H202	T159-G204 PolarHBondContact OG1-N 2.82Å; H202-G204 PolarHBondContact O-N 3.19Å
205	E	86.8	Confident	89	Confident	147 Å²	147	56.7 Å²	56.7	69%	0.687	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-36.7	-172.1	-61.4	176.2	-170.8	0	0	112.5	H202	H202-E205 HydrophobicContact CB-CB 4.26Å; H202-E205 HydrophobicContact CB-CG 4.4Å; H202-E205 PolarHBondContact O-N 3.27Å; H202-E205 VanDerWaalsContact O-N 3.12Å
206	H	82.3	Confident	88.7	Confident	37 Å²	37	52.7 Å²	52.7	17%	0.171	28%	0.275	C	S	.	.	S	Bend	trans	-94.4	149.4	-178.5	-61.8	128.6	0	0	0	112	H202 R210	H202-H206 WeakPolarHBondContact O-CB 3.29Å; H202-H206 PolarHBondContact O-N 3.1Å; H202-H206 PolarHBondContact O-ND1 2.74Å; H206-R210 HydrophobicContact CB-CB 4.29Å; H206-R210 HydrophobicContact CB-CG 4.32Å
207	S	81.2	Confident	88.2	Confident	67 Å²	67	50.2 Å²	50.2	47%	0.469	26%	0.26	S	S	.	.			trans	-65.3	155.1	168.5	65.6	0	0	0	0	111.3	S209 R210 C211	S207-S209 VanDerWaalsContact C-N 3.28Å; S207-S209 PolarHBondContact O-N 3.47Å; S207-R210 PolarHBondContact O-N 3.32Å; S207-R210 PolarHBondContact OG-N 3.38Å; S207-C211 PolarHBondContact O-N 3.34Å; S207-C211 PolarHBondContact O-SG 3.22Å; S207-C211 VanDerWaalsContact O-SG 3.36Å
208	L	81.7	Confident	88.1	Confident	73 Å²	73	51 Å²	51	38%	0.382	26%	0.259	S	S	.	.	H	α-helix	trans	-51	-47	176.5	175.9	59.4	0	0	0	112.1	T66 I67 A70 R210 C211 V212	T66-L208 HydrophobicContact CG2-CD1 3.94Å; T66-L208 HydrophobicContact CG2-CD2 3.85Å; I67-L208 HydrophobicContact CB-CD1 4.3Å; I67-L208 HydrophobicContact CG1-CD1 3.67Å; A70-L208 HydrophobicContact CB-CD1 4.06Å; A70-L208 HydrophobicContact CB-CD2 4.11Å; A70-L208 HydrophobicContact CB-CG 4.23Å; L208-R210 VanDerWaalsContact C-N 3.32Å; L208-R210 PolarHBondContact O-N 2.86Å; L208-C211 WeakPolarHBondContact O-CB 3.49Å; L208-C211 PolarHBondContact O-N 3.41Å; L208-V212 HydrophobicContact CD1-CG2 4.12Å; L208-V212 WeakPolarHBondContact O-CG2 3.45Å; L208-V212 PolarHBondContact O-N 3.16Å
209	S	75	Confident	87.9	Confident	58 Å²	58	48.2 Å²	48.2	41%	0.406	25%	0.246	S	C	.	.	H	α-helix	trans	-59.6	-41.3	179.5	-49.8	0	0	0	0	112.2	S207 V212 Q213	S207-S209 VanDerWaalsContact C-N 3.28Å; S207-S209 PolarHBondContact O-N 3.47Å; S209-V212 PolarHBondContact O-N 2.78Å; S209-Q213 WeakPolarHBondContact O-CB 3.41Å; S209-Q213 VanDerWaalsContact O-CG 3.3Å; S209-Q213 WeakPolarHBondContact O-CG 3.26Å; S209-Q213 PolarHBondContact O-N 2.9Å
210	R	77.1	Confident	87.4	Confident	135 Å²	135	50.6 Å²	50.6	51%	0.509	25%	0.254	S	S	.	.	H	α-helix	trans	-69	-37.5	177.4	-174.2	171.4	-175	171.4	0.5	111.9	H206 S207 L208 K214	H206-R210 HydrophobicContact CB-CB 4.29Å; H206-R210 HydrophobicContact CB-CG 4.32Å; S207-R210 PolarHBondContact O-N 3.32Å; S207-R210 PolarHBondContact OG-N 3.38Å; L208-R210 VanDerWaalsContact C-N 3.32Å; L208-R210 PolarHBondContact O-N 2.86Å; R210-K214 PolarHBondContact O-N 3.42Å; R210-K214 VanDerWaalsContact O-N 3.12Å
211	C	88	Confident	86.9	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-49.2	172.6	-66.3	0	0	0	0	111.4	I67 I201 S207 L208 Q213 K214 V215	I67-C211 HydrophobicContact CD1-CB 3.86Å; I67-C211 HydrophobicContact CG1-CB 4.04Å; I201-C211 HydrophobicContact CG2-CB 3.6Å; I201-C211 WeakPolarHBondContact CG2-SG 3.34Å; S207-C211 PolarHBondContact O-N 3.34Å; S207-C211 PolarHBondContact O-SG 3.22Å; S207-C211 VanDerWaalsContact O-SG 3.36Å; L208-C211 WeakPolarHBondContact O-CB 3.49Å; L208-C211 PolarHBondContact O-N 3.41Å; C211-Q213 PolarHBondContact O-N 3.3Å; C211-K214 PolarHBondContact O-N 2.92Å; C211-V215 WeakPolarHBondContact O-CG2 3.27Å; C211-V215 PolarHBondContact O-N 3.48Å
212	V	86.8	Confident	86.7	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.024	29%	0.286	C	S	.	.	H	α-helix	trans	-63.9	-42.3	179.8	175	0	0	0	0	111.6	I67 A70 L71 I74 L208 S209 K214 V215 L216	I67-V212 HydrophobicContact CG2-CG2 4.21Å; A70-V212 HydrophobicContact CB-CG2 3.83Å; L71-V212 HydrophobicContact CB-CG1 4.23Å; L71-V212 HydrophobicContact CD1-CG1 3.99Å; I74-V212 HydrophobicContact CD1-CG1 3.55Å; L208-V212 HydrophobicContact CD1-CG2 4.12Å; L208-V212 WeakPolarHBondContact O-CG2 3.45Å; L208-V212 PolarHBondContact O-N 3.16Å; S209-V212 PolarHBondContact O-N 2.78Å; V212-K214 VanDerWaalsContact C-N 3.32Å; V212-K214 PolarHBondContact O-N 3.24Å; V212-V215 PolarHBondContact O-N 2.81Å; V212-V215 VanDerWaalsContact O-N 3.13Å; V212-L216 HydrophobicContact CG1-CD1 3.82Å; V212-L216 HydrophobicContact CG1-CG 4.37Å; V212-L216 WeakPolarHBondContact O-CG 3.45Å; V212-L216 PolarHBondContact O-N 2.91Å
213	Q	81.6	Confident	86.4	Confident	112 Å²	112	57.8 Å²	57.8	52%	0.523	31%	0.306	S	S	.	.	H	α-helix	trans	-58.1	-41.7	175.2	-78.9	175.9	-16.9	0	0	112.6	S209 C211 V215 L216 Q217	S209-Q213 WeakPolarHBondContact O-CB 3.41Å; S209-Q213 VanDerWaalsContact O-CG 3.3Å; S209-Q213 WeakPolarHBondContact O-CG 3.26Å; S209-Q213 PolarHBondContact O-N 2.9Å; C211-Q213 PolarHBondContact O-N 3.3Å; Q213-V215 VanDerWaalsContact C-N 3.32Å; Q213-V215 PolarHBondContact O-N 3.03Å; Q213-L216 PolarHBondContact O-N 2.91Å; Q213-Q217 VanDerWaalsContact O-CB 3.28Å; Q213-Q217 WeakPolarHBondContact O-CB 3.42Å; Q213-Q217 PolarHBondContact O-N 3.27Å
214	K	87.7	Confident	86.4	Confident	73 Å²	73	58.6 Å²	58.6	32%	0.317	31%	0.309	S	S	.	.	H	α-helix	trans	-60.8	-41.1	175.3	-78.7	-172.9	168.2	-165.2	0	112.3	I201 R210 C211 V212 Y218	I201-K214 HydrophobicContact CD1-CB 3.56Å; I201-K214 HydrophobicContact CD1-CD 3.9Å; I201-K214 HydrophobicContact CD1-CG 4.39Å; R210-K214 PolarHBondContact O-N 3.42Å; R210-K214 VanDerWaalsContact O-N 3.12Å; C211-K214 PolarHBondContact O-N 2.92Å; V212-K214 VanDerWaalsContact C-N 3.32Å; V212-K214 PolarHBondContact O-N 3.24Å; K214-Y218 WeakPolarHBondContact O-CB 3.33Å; K214-Y218 PolarHBondContact O-N 3.46Å
215	V	94.6	Very high	86.4	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.012	30%	0.296	C	S	.	.	H	α-helix	trans	-65.3	-46.3	177.1	-175.5	0	0	0	0	110.8	I54 F56 I67 L71 L199 I201 C211 V212 Q213 Q217 Y218 L219	I54-V215 HydrophobicContact CD1-CG1 4Å; F56-V215 HydrophobicContact CE1-CG2 4.3Å; I67-V215 HydrophobicContact CG2-CG2 4.5Å; L71-V215 HydrophobicContact CD2-CB 4.17Å; L71-V215 HydrophobicContact CD2-CG1 3.5Å; L199-V215 HydrophobicContact CD2-CB 4.13Å; L199-V215 HydrophobicContact CD2-CG1 4.36Å; L199-V215 HydrophobicContact CD2-CG2 3.74Å; I201-V215 HydrophobicContact CD1-CG2 4.24Å; I201-V215 HydrophobicContact CG1-CG2 4.37Å; C211-V215 WeakPolarHBondContact O-CG2 3.27Å; C211-V215 PolarHBondContact O-N 3.48Å; V212-V215 PolarHBondContact O-N 2.81Å; V212-V215 VanDerWaalsContact O-N 3.13Å; Q213-V215 VanDerWaalsContact C-N 3.32Å; Q213-V215 PolarHBondContact O-N 3.03Å; V215-Q217 PolarHBondContact O-N 3.31Å; V215-Y218 PolarHBondContact O-N 3.3Å; V215-L219 HydrophobicContact CG1-CD1 4.27Å; V215-L219 HydrophobicContact CG1-CG 4.43Å; V215-L219 VanDerWaalsContact O-CG 3.32Å; V215-L219 WeakPolarHBondContact O-CG 3.26Å; V215-L219 PolarHBondContact O-N 2.93Å
216	L	88.6	Confident	86.2	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-42.1	178.1	-69.9	162	0	0	0	112.5	L71 I74 L75 V212 Q213 L219 Y220 F225 L233	L71-L216 HydrophobicContact CD1-CD1 4.32Å; L71-L216 HydrophobicContact CD1-CD2 3.45Å; L71-L216 VanDerWaalsContact CD1-CD2 3.45Å; L71-L216 HydrophobicContact CD1-CG 3.63Å; I74-L216 HydrophobicContact CD1-CD1 4.47Å; I74-L216 HydrophobicContact CG2-CD1 4.11Å; I74-L216 HydrophobicContact CG2-CD2 4.45Å; L75-L216 HydrophobicContact CD2-CD2 4.02Å; V212-L216 HydrophobicContact CG1-CD1 3.82Å; V212-L216 HydrophobicContact CG1-CG 4.37Å; V212-L216 WeakPolarHBondContact O-CG 3.45Å; V212-L216 PolarHBondContact O-N 2.91Å; Q213-L216 PolarHBondContact O-N 2.91Å; L216-L219 PolarHBondContact O-N 3.25Å; L216-Y220 PolarHBondContact O-N 3.4Å; L216-F225 HydrophobicContact CD2-CD2 4.2Å; L216-F225 HydrophobicContact CD2-CE2 3.79Å; L216-F225 HydrophobicContact CD2-CZ 4.19Å; L216-L233 HydrophobicContact CB-CD1 3.87Å; L216-L233 HydrophobicContact CD1-CD1 3.87Å; L216-L233 HydrophobicContact CD1-CD2 3.49Å; L216-L233 VanDerWaalsContact CD1-CD2 3.49Å; L216-L233 HydrophobicContact CD1-CG 4.37Å; L216-L233 HydrophobicContact CD2-CD1 4.12Å; L216-L233 HydrophobicContact CD2-CD2 4.33Å; L216-L233 HydrophobicContact CG-CD1 4.17Å; L216-L233 HydrophobicContact CG-CD2 4.44Å
217	Q	84.6	Confident	85.7	Confident	81 Å²	81	55.3 Å²	55.3	38%	0.379	29%	0.288	S	S	.	.	H	α-helix	trans	-60.9	-45.2	176.1	-179.1	59.7	34.6	0	0	111.1	Q213 V215 Y220 E221	Q213-Q217 VanDerWaalsContact O-CB 3.28Å; Q213-Q217 WeakPolarHBondContact O-CB 3.42Å; Q213-Q217 PolarHBondContact O-N 3.27Å; V215-Q217 PolarHBondContact O-N 3.31Å; Q217-Y220 WeakPolarHBondContact O-CB 3.22Å; Q217-Y220 PolarHBondContact O-N 2.87Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.46Å; Q217-E221 PolarHBondContact NE2-OE1 3.47Å; Q217-E221 WeakPolarHBondContact O-CG 3.38Å; Q217-E221 PolarHBondContact O-N 2.96Å
218	Y	94	Very high	85.1	Confident	45 Å²	45	57.4 Å²	57.4	18%	0.176	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-46.8	175.4	-179.3	-94.7	0	0	0	111.8	I153 E198 L199 K214 V215 Y220 E221 V222	I153-Y218 HydrophobicContact CD1-CD1 4.25Å; I153-Y218 HydrophobicContact CD1-CE1 3.84Å; I153-Y218 HydrophobicContact CG1-CE1 4.04Å; I153-Y218 HydrophobicContact CG2-CD1 4.15Å; I153-Y218 HydrophobicContact CG2-CE1 3.71Å; E198-Y218 HydrophobicContact CB-CE1 4.11Å; E198-Y218 HydrophobicContact CB-CE2 4.39Å; E198-Y218 VanDerWaalsContact CB-OH 3.27Å; E198-Y218 WeakPolarHBondContact CB-OH 3.23Å; E198-Y218 WeakPolarHBondContact CG-OH 3.28Å; E198-Y218 WeakPolarHBondContact O-CE2 3.39Å; L199-Y218 HydrophobicContact CD1-CD2 4.37Å; L199-Y218 HydrophobicContact CD1-CG 4.35Å; L199-Y218 HydrophobicContact CD2-CG 4.46Å; K214-Y218 WeakPolarHBondContact O-CB 3.33Å; K214-Y218 PolarHBondContact O-N 3.46Å; V215-Y218 PolarHBondContact O-N 3.3Å; Y218-Y220 PolarHBondContact O-N 2.86Å; Y218-E221 PolarHBondContact O-N 3.39Å; Y218-E221 VanDerWaalsContact O-N 3.11Å; Y218-V222 HydrophobicContact CD1-CG1 4.35Å; Y218-V222 HydrophobicContact CD1-CG2 4.47Å; Y218-V222 HydrophobicContact CD2-CG1 4.49Å; Y218-V222 HydrophobicContact CE1-CG1 3.74Å; Y218-V222 HydrophobicContact CE1-CG2 4.17Å; Y218-V222 HydrophobicContact CE2-CG1 3.93Å; Y218-V222 VanDerWaalsContact CZ-CG1 3.48Å; Y218-V222 WeakPolarHBondContact O-CG2 3.48Å; Y218-V222 PolarHBondContact O-N 3.3Å
219	L	93.7	Very high	84.6	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-59	-33.4	177.5	-67.7	172.7	0	0	0	112.3	I54 I153 V215 L216 G223 I224 F225	I54-L219 HydrophobicContact CD1-CD1 3.77Å; I54-L219 HydrophobicContact CD1-CD2 3.79Å; I54-L219 HydrophobicContact CD1-CG 4.18Å; I54-L219 HydrophobicContact CG1-CD2 4.34Å; I153-L219 HydrophobicContact CD1-CD2 3.46Å; I153-L219 VanDerWaalsContact CD1-CD2 3.46Å; V215-L219 HydrophobicContact CG1-CD1 4.27Å; V215-L219 HydrophobicContact CG1-CG 4.43Å; V215-L219 VanDerWaalsContact O-CG 3.32Å; V215-L219 WeakPolarHBondContact O-CG 3.26Å; V215-L219 PolarHBondContact O-N 2.93Å; L216-L219 PolarHBondContact O-N 3.25Å; L219-G223 PolarHBondContact O-N 2.91Å; L219-I224 HydrophobicContact CD2-CB 4.32Å; L219-I224 HydrophobicContact CD2-CD1 4.22Å; L219-I224 HydrophobicContact CD2-CG2 4.15Å; L219-I224 PolarHBondContact O-N 3.36Å; L219-F225 HydrophobicContact CB-CB 3.73Å; L219-F225 PolarHBondContact O-N 2.82Å
220	Y	87.3	Confident	84.3	Confident	74 Å²	74	53.4 Å²	53.4	29%	0.29	26%	0.264	S	S	.	.	H	α-helix	trans	-69.6	-47.2	173.7	174.2	-108.8	0	0	0	111.9	L216 Q217 Y218 V222 G223 Q227 L230	L216-Y220 PolarHBondContact O-N 3.4Å; Q217-Y220 WeakPolarHBondContact O-CB 3.22Å; Q217-Y220 PolarHBondContact O-N 2.87Å; Y218-Y220 PolarHBondContact O-N 2.86Å; Y220-V222 VanDerWaalsContact C-N 3.28Å; Y220-V222 PolarHBondContact O-N 2.83Å; Y220-G223 PolarHBondContact O-N 2.78Å; Y220-Q227 HydrophobicContact CE2-CB 4.06Å; Y220-Q227 HydrophobicContact CE2-CG 4.19Å; Y220-L230 HydrophobicContact CD1-CD2 3.72Å; Y220-L230 HydrophobicContact CD2-CB 4.25Å; Y220-L230 HydrophobicContact CD2-CD2 3.66Å; Y220-L230 HydrophobicContact CD2-CG 4.48Å; Y220-L230 HydrophobicContact CE1-CD2 3.6Å; Y220-L230 HydrophobicContact CE2-CB 4.4Å; Y220-L230 HydrophobicContact CE2-CD2 3.55Å; Y220-L230 HydrophobicContact CG-CD2 3.74Å
221	E	87.1	Confident	83.5	Confident	129 Å²	129	51.7 Å²	51.7	60%	0.603	27%	0.265	S	S	*	.	H	α-helix	trans	-60	-36.1	179.1	-73.8	168.4	-171.2	0	0	112.9	Q217 Y218 G223	Q217-E221 WeakPolarHBondContact CG-OE1 3.46Å; Q217-E221 PolarHBondContact NE2-OE1 3.47Å; Q217-E221 WeakPolarHBondContact O-CG 3.38Å; Q217-E221 PolarHBondContact O-N 2.96Å; Y218-E221 PolarHBondContact O-N 3.39Å; Y218-E221 VanDerWaalsContact O-N 3.11Å; E221-G223 VanDerWaalsContact C-N 3.29Å; E221-G223 PolarHBondContact O-N 3.43Å
222	V	91.6	Very high	82.4	Confident	65 Å²	65	53.6 Å²	53.6	39%	0.394	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	5.4	176	-54.7	0	0	0	0	113.9	Y218 Y220 I224	Y218-V222 HydrophobicContact CD1-CG1 4.35Å; Y218-V222 HydrophobicContact CD1-CG2 4.47Å; Y218-V222 HydrophobicContact CD2-CG1 4.49Å; Y218-V222 HydrophobicContact CE1-CG1 3.74Å; Y218-V222 HydrophobicContact CE1-CG2 4.17Å; Y218-V222 HydrophobicContact CE2-CG1 3.93Å; Y218-V222 VanDerWaalsContact CZ-CG1 3.48Å; Y218-V222 WeakPolarHBondContact O-CG2 3.48Å; Y218-V222 PolarHBondContact O-N 3.3Å; Y220-V222 VanDerWaalsContact C-N 3.28Å; Y220-V222 PolarHBondContact O-N 2.83Å; V222-I224 VanDerWaalsContact C-N 3.33Å; V222-I224 HydrophobicContact CG2-CB 4.29Å; V222-I224 HydrophobicContact CG2-CD1 3.67Å; V222-I224 HydrophobicContact CG2-CG1 3.94Å; V222-I224 PolarHBondContact O-N 3.1Å
223	G	87.7	Confident	81	Confident	66 Å²	66	55.7 Å²	55.7	68%	0.68	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	14.8	174.6	0	0	0	0	0	115.6	L219 Y220 E221	L219-G223 PolarHBondContact O-N 2.91Å; Y220-G223 PolarHBondContact O-N 2.78Å; E221-G223 VanDerWaalsContact C-N 3.29Å; E221-G223 PolarHBondContact O-N 3.43Å
224	I	90.3	Very high	79.7	Confident	26 Å²	26	51.8 Å²	51.8	13%	0.133	27%	0.274	C	S	.	.			trans	-82.8	-38	174.8	-69.5	167	0	0	0	110.7	C52 I125 P151 I153 L219 V222 P226	C52-I224 HydrophobicContact CB-CD1 3.83Å; I125-I224 HydrophobicContact CD1-CG2 4.5Å; P151-I224 HydrophobicContact CB-CD1 4.25Å; I153-I224 HydrophobicContact CD1-CD1 3.71Å; L219-I224 HydrophobicContact CD2-CB 4.32Å; L219-I224 HydrophobicContact CD2-CD1 4.22Å; L219-I224 HydrophobicContact CD2-CG2 4.15Å; L219-I224 PolarHBondContact O-N 3.36Å; V222-I224 VanDerWaalsContact C-N 3.33Å; V222-I224 HydrophobicContact CG2-CB 4.29Å; V222-I224 HydrophobicContact CG2-CD1 3.67Å; V222-I224 HydrophobicContact CG2-CG1 3.94Å; V222-I224 PolarHBondContact O-N 3.1Å; I224-P226 WeakPolarHBondContact O-CD 3.21Å
225	F	86.3	Confident	78.1	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.018	28%	0.278	C	S	.	.	S	Bend	trans	-90.7	115.9	-178.7	-166.8	-100.8	0	0	0	110.1	L75 L78 L80 L216 L219 A229 L230 L233	L75-F225 HydrophobicContact CD2-CD2 3.98Å; L75-F225 HydrophobicContact CD2-CE2 3.72Å; L78-F225 HydrophobicContact CD1-CE2 4.02Å; L78-F225 HydrophobicContact CD1-CZ 3.6Å; L80-F225 HydrophobicContact CD1-CD2 3.62Å; L80-F225 HydrophobicContact CD1-CE2 3.27Å; L80-F225 HydrophobicContact CD1-CZ 4.16Å; L216-F225 HydrophobicContact CD2-CD2 4.2Å; L216-F225 HydrophobicContact CD2-CE2 3.79Å; L216-F225 HydrophobicContact CD2-CZ 4.19Å; L219-F225 HydrophobicContact CB-CB 3.73Å; L219-F225 PolarHBondContact O-N 2.82Å; F225-A229 HydrophobicContact CD1-CB 4.37Å; F225-A229 HydrophobicContact CE1-CB 3.8Å; F225-A229 HydrophobicContact CE2-CB 4.09Å; F225-A229 HydrophobicContact CZ-CB 3.63Å; F225-L230 HydrophobicContact CD1-CB 4.15Å; F225-L230 HydrophobicContact CE1-CB 3.87Å; F225-L230 HydrophobicContact CE1-CD1 4.27Å; F225-L230 VanDerWaalsContact CE1-N 3.3Å; F225-L233 HydrophobicContact CD1-CD1 4.29Å; F225-L233 HydrophobicContact CE1-CD1 3.29Å; F225-L233 HydrophobicContact CE1-CG 3.95Å; F225-L233 HydrophobicContact CE2-CD1 4.37Å; F225-L233 HydrophobicContact CZ-CD1 3.36Å; F225-L233 HydrophobicContact CZ-CD2 4.38Å; F225-L233 HydrophobicContact CZ-CG 3.67Å
226	P	82.2	Confident	76.7	Confident	17 Å²	17	50.7 Å²	50.7	11%	0.11	28%	0.284	C	S	.	.			trans	-61.5	144.1	-175.4	-23.7	34.3	0	0	0	112.6	Y46 L80 I224 E228 A229 L230	Y46-P226 HydrophobicContact CD1-CB 4.08Å; Y46-P226 HydrophobicContact CD1-CG 4.38Å; Y46-P226 HydrophobicContact CD2-CG 4.16Å; Y46-P226 HydrophobicContact CG-CB 4.03Å; Y46-P226 HydrophobicContact CG-CG 3.81Å; L80-P226 HydrophobicContact CD2-CG 4.1Å; I224-P226 WeakPolarHBondContact O-CD 3.21Å; P226-E228 PolarHBondContact O-N 2.63Å; P226-A229 HydrophobicContact CB-CB 4.14Å; P226-A229 HydrophobicContact CG-CB 4.39Å; P226-A229 WeakPolarHBondContact O-CA 3.47Å; P226-A229 WeakPolarHBondContact O-CB 3.35Å; P226-A229 PolarHBondContact O-N 3.37Å; P226-L230 PolarHBondContact O-N 3.19Å
227	Q	73.6	Confident	76.4	Confident	123 Å²	123	51.5 Å²	51.5	58%	0.575	29%	0.288	S	S	*	.	H	α-helix	trans	-59.7	-37.6	176.3	-171.9	177.7	15	0	0	111.3	Y220 A229 L230 L231	Y220-Q227 HydrophobicContact CE2-CB 4.06Å; Y220-Q227 HydrophobicContact CE2-CG 4.19Å; Q227-A229 VanDerWaalsContact C-N 3.29Å; Q227-A229 PolarHBondContact O-N 3.13Å; Q227-L230 WeakPolarHBondContact O-CB 3.11Å; Q227-L230 PolarHBondContact O-N 3.42Å; Q227-L230 VanDerWaalsContact O-N 3.12Å; Q227-L231 WeakPolarHBondContact O-CG 3.22Å; Q227-L231 PolarHBondContact O-N 3.06Å
228	E	66.6	Low	76.4	Confident	110 Å²	110	52.3 Å²	52.3	51%	0.514	29%	0.288	S	S	.	.	H	α-helix	trans	-62.4	-37	175.2	-58.2	84.8	174.1	0	0	111.5	Y46 P226 L231 H232	Y46-E228 HydrophobicContact CD1-CB 3.87Å; Y46-E228 HydrophobicContact CE1-CB 3.6Å; P226-E228 PolarHBondContact O-N 2.63Å; E228-L231 PolarHBondContact O-N 3.24Å; E228-H232 PolarHBondContact O-CD2 2.9Å; E228-H232 PolarHBondContact O-N 3.33Å
229	A	73.1	Confident	76.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68.4	-35	173.9	0	0	0	0	0	112	Y46 L80 F225 P226 Q227 H232 L233	Y46-A229 HydrophobicContact CD2-CB 4.39Å; Y46-A229 HydrophobicContact CE1-CB 4.14Å; Y46-A229 HydrophobicContact CE2-CB 3.78Å; L80-A229 HydrophobicContact CD1-CB 3.95Å; F225-A229 HydrophobicContact CD1-CB 4.37Å; F225-A229 HydrophobicContact CE1-CB 3.8Å; F225-A229 HydrophobicContact CE2-CB 4.09Å; F225-A229 HydrophobicContact CZ-CB 3.63Å; P226-A229 HydrophobicContact CB-CB 4.14Å; P226-A229 HydrophobicContact CG-CB 4.39Å; P226-A229 WeakPolarHBondContact O-CA 3.47Å; P226-A229 WeakPolarHBondContact O-CB 3.35Å; P226-A229 PolarHBondContact O-N 3.37Å; Q227-A229 VanDerWaalsContact C-N 3.29Å; Q227-A229 PolarHBondContact O-N 3.13Å; A229-H232 CarbonylContact O-C 3.6Å; A229-H232 WeakPolarHBondContact O-CA 3.36Å; A229-H232 WeakPolarHBondContact O-CB 2.99Å; A229-H232 PolarHBondContact O-N 3.29Å; A229-L233 PolarHBondContact O-N 3.28Å; A229-L233 VanDerWaalsContact O-N 3.08Å
230	L	68.4	Low	76.4	Confident	48 Å²	48	54.1 Å²	54.1	25%	0.251	30%	0.298	S	S	.	.	H	α-helix	trans	-64.4	-39.5	175.2	-174.9	66.7	0	0	0	112.5	Y220 F225 P226 Q227 H232 L233	Y220-L230 HydrophobicContact CD1-CD2 3.72Å; Y220-L230 HydrophobicContact CD2-CB 4.25Å; Y220-L230 HydrophobicContact CD2-CD2 3.66Å; Y220-L230 HydrophobicContact CD2-CG 4.48Å; Y220-L230 HydrophobicContact CE1-CD2 3.6Å; Y220-L230 HydrophobicContact CE2-CB 4.4Å; Y220-L230 HydrophobicContact CE2-CD2 3.55Å; Y220-L230 HydrophobicContact CG-CD2 3.74Å; F225-L230 HydrophobicContact CD1-CB 4.15Å; F225-L230 HydrophobicContact CE1-CB 3.87Å; F225-L230 HydrophobicContact CE1-CD1 4.27Å; F225-L230 VanDerWaalsContact CE1-N 3.3Å; P226-L230 PolarHBondContact O-N 3.19Å; Q227-L230 WeakPolarHBondContact O-CB 3.11Å; Q227-L230 PolarHBondContact O-N 3.42Å; Q227-L230 VanDerWaalsContact O-N 3.12Å; L230-H232 PolarHBondContact O-N 3.03Å; L230-L233 HydrophobicContact CD1-CB 4.42Å; L230-L233 HydrophobicContact CD1-CD1 3.71Å; L230-L233 WeakPolarHBondContact O-CB 3.08Å; L230-L233 PolarHBondContact O-N 3.25Å
231	L	60.5	Low	76.8	Confident	98 Å²	98	52.5 Å²	52.5	51%	0.513	29%	0.293	S	S	.	.	H	α-helix	trans	-55.9	-35.2	171.8	-64.7	173.7	0	0	0	110.8	Q227 E228 G236	Q227-L231 WeakPolarHBondContact O-CG 3.22Å; Q227-L231 PolarHBondContact O-N 3.06Å; E228-L231 PolarHBondContact O-N 3.24Å; L231-G236 WeakPolarHBondContact O-CA 3.36Å; L231-G236 PolarHBondContact O-N 3.43Å
232	H	63.1	Low	77.1	Confident	41 Å²	41	46.8 Å²	46.8	19%	0.19	27%	0.266	C	S	.	.	H	α-helix	trans	-80.3	-18.9	176.9	-61.9	-64.3	0	0	0	115.4	Y46 L78 E228 A229 L230 G234 G235 G236	Y46-H232 PolarHBondContact OH-CD2 2.82Å; L78-H232 HydrophobicContact CD2-CB 3.43Å; L78-H232 VanDerWaalsContact CD2-CB 3.43Å; E228-H232 PolarHBondContact O-CD2 2.9Å; E228-H232 PolarHBondContact O-N 3.33Å; A229-H232 CarbonylContact O-C 3.6Å; A229-H232 WeakPolarHBondContact O-CA 3.36Å; A229-H232 WeakPolarHBondContact O-CB 2.99Å; A229-H232 PolarHBondContact O-N 3.29Å; L230-H232 PolarHBondContact O-N 3.03Å; H232-G234 VanDerWaalsContact C-N 3.27Å; H232-G234 PolarHBondContact O-N 3.43Å; H232-G235 CarbonylContact O-C 3.48Å; H232-G235 VanDerWaalsContact O-CA 3.25Å; H232-G235 WeakPolarHBondContact O-CA 3.35Å; H232-G235 PolarHBondContact O-N 2.89Å; H232-G236 PolarHBondContact O-N 3.42Å
233	L	58.6	Low	76.9	Confident	48 Å²	48	48.8 Å²	48.8	25%	0.251	28%	0.279	S	S	.	.	H	α-helix	trans	-64.3	-31.4	175.8	-87.3	174	0	0	0	113	I74 L78 L216 F225 A229 L230 G235	I74-L233 HydrophobicContact CG2-CD2 3.42Å; I74-L233 VanDerWaalsContact CG2-CD2 3.42Å; L78-L233 HydrophobicContact CD1-CD2 3.92Å; L78-L233 HydrophobicContact CD1-CG 3.97Å; L216-L233 HydrophobicContact CB-CD1 3.87Å; L216-L233 HydrophobicContact CD1-CD1 3.87Å; L216-L233 HydrophobicContact CD1-CD2 3.49Å; L216-L233 VanDerWaalsContact CD1-CD2 3.49Å; L216-L233 HydrophobicContact CD1-CG 4.37Å; L216-L233 HydrophobicContact CD2-CD1 4.12Å; L216-L233 HydrophobicContact CD2-CD2 4.33Å; L216-L233 HydrophobicContact CG-CD1 4.17Å; L216-L233 HydrophobicContact CG-CD2 4.44Å; F225-L233 HydrophobicContact CD1-CD1 4.29Å; F225-L233 HydrophobicContact CE1-CD1 3.29Å; F225-L233 HydrophobicContact CE1-CG 3.95Å; F225-L233 HydrophobicContact CE2-CD1 4.37Å; F225-L233 HydrophobicContact CZ-CD1 3.36Å; F225-L233 HydrophobicContact CZ-CD2 4.38Å; F225-L233 HydrophobicContact CZ-CG 3.67Å; A229-L233 PolarHBondContact O-N 3.28Å; A229-L233 VanDerWaalsContact O-N 3.08Å; L230-L233 HydrophobicContact CD1-CB 4.42Å; L230-L233 HydrophobicContact CD1-CD1 3.71Å; L230-L233 WeakPolarHBondContact O-CB 3.08Å; L230-L233 PolarHBondContact O-N 3.25Å; L233-G235 PolarHBondContact O-N 3.44Å
234	G	53.6	Low	77	Confident	31 Å²	31	48.4 Å²	48.4	32%	0.32	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	5.1	167.7	0	0	0	0	0	113.6	H232 I237 R407	H232-G234 VanDerWaalsContact C-N 3.27Å; H232-G234 PolarHBondContact O-N 3.43Å; G234-I237 WeakPolarHBondContact O-CD1 3.41Å; G234-I237 WeakPolarHBondContact O-CG1 3.47Å; G234-R407 VanDerWaalsContact O-CZ 3.3Å; G234-R407 PolarHBondContact O-NE 3.47Å; G234-R407 PolarHBondContact O-NH2 3.25Å
235	G	55.2	Low	76.8	Confident	38 Å²	38	51.2 Å²	51.2	39%	0.392	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	9.2	-166.2	0	0	0	0	0	113.8	H232 L233 I237	H232-G235 CarbonylContact O-C 3.48Å; H232-G235 VanDerWaalsContact O-CA 3.25Å; H232-G235 WeakPolarHBondContact O-CA 3.35Å; H232-G235 PolarHBondContact O-N 2.89Å; L233-G235 PolarHBondContact O-N 3.44Å; G235-I237 VanDerWaalsContact C-N 3.3Å
236	G	65.5	Low	76.9	Confident	13 Å²	13	55.3 Å²	55.3	13%	0.134	32%	0.321	C	S	.	.	S	Bend	trans	81.4	10.4	-176.2	0	0	0	0	0	113.5	L231 H232 R238 S279	L231-G236 WeakPolarHBondContact O-CA 3.36Å; L231-G236 PolarHBondContact O-N 3.43Å; H232-G236 PolarHBondContact O-N 3.42Å; G236-R238 PolarHBondContact O-N 2.85Å; G236-S279 WeakPolarHBondContact O-CB 3.2Å
237	I	81.1	Confident	77.4	Confident	24 Å²	24	56 Å²	56	12%	0.123	32%	0.324	C	S	.	.			trans	-64.8	121.5	-172.8	-52.7	157.9	0	0	0	109	G234 G235 P403 M404 A515	G234-I237 WeakPolarHBondContact O-CD1 3.41Å; G234-I237 WeakPolarHBondContact O-CG1 3.47Å; G235-I237 VanDerWaalsContact C-N 3.3Å; I237-P403 HydrophobicContact CD1-CB 3.74Å; I237-P403 HydrophobicContact CG1-CB 4.24Å; I237-P403 HydrophobicContact CG2-CB 4.21Å; I237-M404 HydrophobicContact CB-CG 4.49Å; I237-M404 HydrophobicContact CD1-CG 4.17Å; I237-M404 HydrophobicContact CG2-CG 4.07Å; I237-A515 WeakPolarHBondContact CD1-O 3.23Å; I237-A515 HydrophobicContact CG1-CB 4.24Å
238	R	84.5	Confident	78.4	Confident	98 Å²	98	52.8 Å²	52.8	37%	0.37	32%	0.319	S	S	.	.			trans	-121.2	106	174.5	-177.2	-178	-63.2	170.6	4.8	107.3	G236 L240 G276 S279	G236-R238 PolarHBondContact O-N 2.85Å; R238-L240 HydrophobicContact CG-CD2 4.09Å; R238-G276 WeakPolarHBondContact O-CA 3.32Å; R238-S279 PolarHBondContact N-OG 3.09Å; R238-S279 PolarHBondContact O-OG 2.95Å
239	E	92.5	Very high	79.6	Confident	68 Å²	68	51.3 Å²	51.3	32%	0.318	32%	0.32	S	S	.	.			trans	-73.8	144.2	166.8	-65.5	-174.6	159.6	0	0	109.4	F241 A274 T402 M404	E239-F241 HydrophobicContact CB-CD2 3.87Å; E239-F241 HydrophobicContact CB-CE2 4.25Å; E239-F241 HydrophobicContact CG-CD2 4.39Å; E239-F241 HydrophobicContact CG-CE2 4.37Å; E239-A274 CarbonylContact C-O 3.56Å; E239-A274 WeakPolarHBondContact CA-O 3.32Å; E239-T402 VanDerWaalsContact OE1-CB 3.31Å; E239-T402 WeakPolarHBondContact OE1-CB 3.06Å; E239-T402 WeakPolarHBondContact OE1-CG2 3.46Å; E239-T402 PolarHBondContact OE1-OG1 3.13Å; E239-M404 HydrophobicContact CG-SD 4.14Å
240	L	95.7	Very high	80.5	Confident	16 Å²	16	52.1 Å²	52.1	8%	0.084	33%	0.325	C	S	.	.			trans	-105.6	15.4	-175.2	-49.5	175.6	0	0	0	112.2	R238 L273 A274 T282 L384 V386	R238-L240 HydrophobicContact CG-CD2 4.09Å; L240-L273 HydrophobicContact CD1-CB 4.13Å; L240-L273 WeakPolarHBondContact CD1-O 3.46Å; L240-A274 PolarHBondContact N-O 3.5Å; L240-T282 WeakPolarHBondContact CD1-O 3.33Å; L240-L384 HydrophobicContact CD1-CB 4.14Å; L240-V386 HydrophobicContact CB-CG2 4.09Å; L240-V386 PolarHBondContact O-N 3.22Å
241	F	95.6	Very high	81.8	Confident	39 Å²	39	56.4 Å²	56.4	17%	0.171	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-75	127.5	178.4	-56.3	-63.2	0	0	0	110.7	E239 A274 E275 V386 E388	E239-F241 HydrophobicContact CB-CD2 3.87Å; E239-F241 HydrophobicContact CB-CE2 4.25Å; E239-F241 HydrophobicContact CG-CD2 4.39Å; E239-F241 HydrophobicContact CG-CE2 4.37Å; F241-A274 HydrophobicContact CD1-CB 4.38Å; F241-A274 HydrophobicContact CE1-CB 3.6Å; F241-A274 WeakPolarHBondContact CE2-O 3.28Å; F241-A274 HydrophobicContact CZ-CB 3.68Å; F241-E275 HydrophobicContact CE2-CG 4.33Å; F241-E275 HydrophobicContact CZ-CG 3.98Å; F241-V386 CarbonylContact C-O 3.5Å; F241-V386 VanDerWaalsContact CA-O 3.31Å; F241-V386 WeakPolarHBondContact CA-O 3.42Å; F241-V386 HydrophobicContact CD1-CB 3.98Å; F241-V386 HydrophobicContact CD1-CG1 3.86Å; F241-V386 HydrophobicContact CE1-CB 4.36Å; F241-V386 HydrophobicContact CE1-CG1 3.89Å; F241-E388 WeakPolarHBondContact CD1-O 2.94Å; F241-E388 WeakPolarHBondContact CE1-O 3.37Å
242	V	92.4	Very high	83.3	Confident	9 Å²	9	59.2 Å²	59.2	6%	0.055	35%	0.352	C	S	.	.			trans	-86.3	143.4	171.3	-70.5	0	0	0	0	110.6	E246 L247 L250 K385 V386 L387	V242-E246 HydrophobicContact CB-CG 4.35Å; V242-E246 HydrophobicContact CG1-CG 4.1Å; V242-L247 HydrophobicContact CB-CB 4.46Å; V242-L247 HydrophobicContact CG2-CB 4.16Å; V242-L247 HydrophobicContact CG2-CD1 3.86Å; V242-L250 HydrophobicContact CG2-CD2 4.15Å; V242-K385 HydrophobicContact CG1-CB 3.67Å; V242-K385 HydrophobicContact CG1-CD 4Å; V242-K385 HydrophobicContact CG1-CG 3.82Å; V242-V386 WeakPolarHBondContact CG2-O 3.26Å; V242-V386 PolarHBondContact N-O 2.85Å; V242-L387 HydrophobicContact CG2-CD2 4.19Å
243	T	88.3	Confident	84.7	Confident	108 Å²	108	59.5 Å²	59.5	66%	0.663	36%	0.359	S	S	*	.			trans	-138	168.2	-178.2	65.5	0	0	0	0	111.3	A245 E246 L247	T243-A245 PolarHBondContact O-N 3.04Å; T243-E246 PolarHBondContact O-N 2.82Å; T243-L247 PolarHBondContact O-N 2.8Å
244	G	89.2	Confident	86.4	Confident	58 Å²	58	58 Å²	58	60%	0.598	35%	0.351	S	S	*	.	H	α-helix	trans	58.2	-135.2	171.4	0	0	0	0	0	114.3	E246 L247 A248	G244-E246 VanDerWaalsContact C-N 3.29Å; G244-E246 PolarHBondContact O-N 3.05Å; G244-L247 PolarHBondContact O-N 3.44Å; G244-A248 PolarHBondContact O-N 2.85Å
245	A	87.4	Confident	88.1	Confident	85 Å²	85	64 Å²	64	70%	0.702	38%	0.376	S	S	*	.	H	α-helix	trans	-62.1	-34.1	-175.7	0	0	0	0	0	113.2	T243 A248 S249	T243-A245 PolarHBondContact O-N 3.04Å; A245-A248 PolarHBondContact O-N 3.31Å; A245-S249 WeakPolarHBondContact O-CB 3.36Å; A245-S249 PolarHBondContact O-N 2.96Å
246	E	87.9	Confident	89.9	Confident	89 Å²	89	66.9 Å²	66.9	42%	0.416	39%	0.389	S	S	.	.	H	α-helix	trans	-66.5	-45.2	178.7	-176.8	176.1	-160.8	0	0	111.5	V242 T243 G244 A248 S249 L250 K385	V242-E246 HydrophobicContact CB-CG 4.35Å; V242-E246 HydrophobicContact CG1-CG 4.1Å; T243-E246 PolarHBondContact O-N 2.82Å; G244-E246 VanDerWaalsContact C-N 3.29Å; G244-E246 PolarHBondContact O-N 3.05Å; E246-A248 VanDerWaalsContact C-N 3.32Å; E246-A248 PolarHBondContact O-N 3.31Å; E246-S249 PolarHBondContact O-N 2.92Å; E246-L250 WeakPolarHBondContact O-CB 3.42Å; E246-L250 PolarHBondContact O-N 2.82Å; E246-K385 WeakPolarHBondContact OE1-CD 3.41Å; E246-K385 WeakPolarHBondContact OE1-CE 3.4Å; E246-K385 IonicContact OE1-NZ 2.73Å; E246-K385 PolarHBondContact OE1-NZ 3.33Å
247	L	93.7	Very high	91.4	Very high	31 Å²	31	67.7 Å²	67.7	16%	0.162	39%	0.391	C	S	.	.	H	α-helix	trans	-61.4	-42.1	175.8	174.7	61.2	0	0	0	111.4	V242 T243 G244 L250 R251 L387	V242-L247 HydrophobicContact CB-CB 4.46Å; V242-L247 HydrophobicContact CG2-CB 4.16Å; V242-L247 HydrophobicContact CG2-CD1 3.86Å; T243-L247 PolarHBondContact O-N 2.8Å; G244-L247 PolarHBondContact O-N 3.44Å; L247-L250 PolarHBondContact O-N 2.85Å; L247-R251 HydrophobicContact CD1-CG 4.24Å; L247-R251 WeakPolarHBondContact O-CG 3.4Å; L247-R251 PolarHBondContact O-N 2.91Å; L247-L387 HydrophobicContact CD1-CB 4.14Å; L247-L387 HydrophobicContact CD1-CD2 4.05Å; L247-L387 WeakPolarHBondContact CD1-O 3.47Å
248	A	92.8	Very high	92.2	Very high	56 Å²	56	68.8 Å²	68.8	46%	0.463	40%	0.399	S	S	.	.	H	α-helix	trans	-62.3	-45.3	177.3	0	0	0	0	0	111.6	G244 A245 E246 R251 L252	G244-A248 PolarHBondContact O-N 2.85Å; A245-A248 PolarHBondContact O-N 3.31Å; E246-A248 VanDerWaalsContact C-N 3.32Å; E246-A248 PolarHBondContact O-N 3.31Å; A248-R251 PolarHBondContact O-N 2.9Å; A248-L252 PolarHBondContact O-N 3.04Å
249	S	92.4	Very high	92.9	Very high	79 Å²	79	66.8 Å²	66.8	55%	0.552	40%	0.398	S	S	*	.	H	α-helix	trans	-62.6	-43.7	176.4	178	0	0	0	0	112	A245 E246 R251 L252	A245-S249 WeakPolarHBondContact O-CB 3.36Å; A245-S249 PolarHBondContact O-N 2.96Å; E246-S249 PolarHBondContact O-N 2.92Å; S249-R251 VanDerWaalsContact C-N 3.34Å; S249-R251 PolarHBondContact O-N 2.84Å; S249-L252 PolarHBondContact O-N 3.26Å
250	L	92.8	Very high	93.1	Very high	18 Å²	18	63.8 Å²	63.8	9%	0.094	38%	0.384	C	S	.	.	H	α-helix	trans	-63.5	-41.4	179.7	-165.5	61.9	0	0	0	111.2	V242 E246 L247 L252 C253 L254 V340 K385 L387	V242-L250 HydrophobicContact CG2-CD2 4.15Å; E246-L250 WeakPolarHBondContact O-CB 3.42Å; E246-L250 PolarHBondContact O-N 2.82Å; L247-L250 PolarHBondContact O-N 2.85Å; L250-L252 PolarHBondContact O-N 3.21Å; L250-C253 PolarHBondContact O-N 3.1Å; L250-C253 VanDerWaalsContact O-N 3.12Å; L250-C253 PolarHBondContact O-SG 3.37Å; L250-L254 HydrophobicContact CG-CD2 4.19Å; L250-L254 WeakPolarHBondContact O-CG 3.31Å; L250-L254 PolarHBondContact O-N 3.36Å; L250-V340 HydrophobicContact CD1-CB 4.41Å; L250-V340 HydrophobicContact CD1-CG2 3.98Å; L250-V340 HydrophobicContact CD2-CB 4.34Å; L250-V340 HydrophobicContact CD2-CG2 3.93Å; L250-V340 HydrophobicContact CG-CG2 4.05Å; L250-K385 HydrophobicContact CD2-CB 3.96Å; L250-K385 HydrophobicContact CD2-CD 4.31Å; L250-L387 HydrophobicContact CD2-CD2 3.42Å; L250-L387 VanDerWaalsContact CD2-CD2 3.42Å; L250-L387 HydrophobicContact CG-CD2 4.17Å
251	R	94.4	Very high	93.3	Very high	137 Å²	137	66.2 Å²	66.2	52%	0.517	41%	0.407	S	S	.	.	H	α-helix	trans	-58.9	-31.5	176.8	-77.9	-178.9	179.9	-151	0.7	113.7	L247 A248 S249 C253 L254	L247-R251 HydrophobicContact CD1-CG 4.24Å; L247-R251 WeakPolarHBondContact O-CG 3.4Å; L247-R251 PolarHBondContact O-N 2.91Å; A248-R251 PolarHBondContact O-N 2.9Å; S249-R251 VanDerWaalsContact C-N 3.34Å; S249-R251 PolarHBondContact O-N 2.84Å; R251-C253 VanDerWaalsContact C-N 3.27Å; R251-C253 PolarHBondContact O-N 2.81Å; R251-L254 HydrophobicContact CG-CD1 4.28Å
252	L	93	Very high	93.4	Very high	157 Å²	157	65 Å²	65	82%	0.822	40%	0.401	S	S	*	.	H	α-helix	trans	-71.1	-21.3	179.1	-67	172.6	0	0	0	113.4	A248 S249 L250	A248-L252 PolarHBondContact O-N 3.04Å; S249-L252 PolarHBondContact O-N 3.26Å; L250-L252 PolarHBondContact O-N 3.21Å
253	C	91.5	Very high	93.7	Very high	48 Å²	48	67.1 Å²	67.1	32%	0.324	42%	0.417	S	S	.	.	H	α-helix	trans	-111.5	-0.1	-179.5	63.2	0	0	0	0	114.2	L250 R251 D255 S256	L250-C253 PolarHBondContact O-N 3.1Å; L250-C253 VanDerWaalsContact O-N 3.12Å; L250-C253 PolarHBondContact O-SG 3.37Å; R251-C253 VanDerWaalsContact C-N 3.27Å; R251-C253 PolarHBondContact O-N 2.81Å; C253-D255 VanDerWaalsContact C-N 3.31Å; C253-D255 PolarHBondContact O-N 3.15Å; C253-S256 PolarHBondContact O-N 3.41Å; C253-S256 PolarHBondContact O-OG 2.93Å
254	L	94.3	Very high	94.1	Very high	16 Å²	16	68.8 Å²	68.8	8%	0.084	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-58.1	-41.5	-177.8	-71.3	-179.7	0	0	0	113.2	L250 R251 S256 L257 I337 V340 L387	L250-L254 HydrophobicContact CG-CD2 4.19Å; L250-L254 WeakPolarHBondContact O-CG 3.31Å; L250-L254 PolarHBondContact O-N 3.36Å; R251-L254 HydrophobicContact CG-CD1 4.28Å; L254-S256 PolarHBondContact O-N 3.06Å; L254-L257 HydrophobicContact CD2-CD1 4.36Å; L254-L257 PolarHBondContact O-N 3.47Å; L254-L257 VanDerWaalsContact O-N 3.15Å; L254-I337 HydrophobicContact CB-CD1 3.95Å; L254-I337 HydrophobicContact CD1-CD1 4.48Å; L254-I337 HydrophobicContact CD1-CG2 4.27Å; L254-I337 HydrophobicContact CD2-CG2 4.14Å; L254-V340 HydrophobicContact CD2-CG2 3.48Å; L254-V340 VanDerWaalsContact CD2-CG2 3.48Å; L254-L387 HydrophobicContact CD1-CD1 3.61Å; L254-L387 HydrophobicContact CD2-CD1 4.43Å
255	D	90	Very high	94.5	Very high	158 Å²	158	68.1 Å²	68.1	85%	0.845	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-69.5	-17.3	-176.6	-65.3	-26.1	0	0	0	113.2	C253	C253-D255 VanDerWaalsContact C-N 3.31Å; C253-D255 PolarHBondContact O-N 3.15Å
256	S	93.8	Very high	95.1	Very high	97 Å²	97	65 Å²	65	68%	0.678	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-91.7	-10.6	175.7	67.4	0	0	0	0	113.4	C253 L254	C253-S256 PolarHBondContact O-N 3.41Å; C253-S256 PolarHBondContact O-OG 2.93Å; L254-S256 PolarHBondContact O-N 3.06Å
257	L	96.8	Very high	95.6	Very high	31 Å²	31	61.2 Å²	61.2	16%	0.162	35%	0.348	C	S	.	.	S	Bend	trans	-79.9	141.4	178.5	-63.6	-178.5	0	0	0	110.9	L254 T259 A330 V340	L254-L257 HydrophobicContact CD2-CD1 4.36Å; L254-L257 PolarHBondContact O-N 3.47Å; L254-L257 VanDerWaalsContact O-N 3.15Å; L257-T259 PolarHBondContact O-N 2.95Å; L257-A330 HydrophobicContact CB-CB 4.03Å; L257-A330 HydrophobicContact CD1-CB 4.45Å; L257-V340 HydrophobicContact CD1-CG1 3.78Å; L257-V340 HydrophobicContact CD1-CG2 3.91Å
258	P	97.7	Very high	95.8	Very high	46 Å²	46	60.1 Å²	60.1	30%	0.299	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-66	134.6	168.7	29.7	-34	0	0	0	110	L323 A326 I329 A330	P258-L323 HydrophobicContact CB-CD2 3.65Å; P258-L323 HydrophobicContact CG-CD2 4.06Å; P258-A326 HydrophobicContact CG-CB 3.58Å; P258-I329 WeakPolarHBondContact O-CA 3.49Å; P258-I329 WeakPolarHBondContact O-CG2 3.42Å; P258-A330 PolarHBondContact O-N 2.74Å
259	T	98	Very high	96.1	Very high	57 Å²	57	58.2 Å²	58.2	35%	0.35	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	140.8	-174.1	-57.4	0	0	0	0	112.2	L257 R322 A330 A332	L257-T259 PolarHBondContact O-N 2.95Å; T259-R322 PolarHBondContact O-NH1 3.49Å; T259-R322 VanDerWaalsContact O-NH1 3.08Å; T259-R322 PolarHBondContact O-NH2 3.41Å; T259-A330 CarbonylContact C-O 3.4Å; T259-A330 WeakPolarHBondContact CA-O 3.32Å; T259-A332 HydrophobicContact CG2-CB 3.55Å
260	L	98.4	Very high	96.4	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.5	169.1	176.5	60.2	0	0	0	109.4	L313 K319 L323 I329 A330 L331 A332	L260-L313 HydrophobicContact CD2-CD2 3.8Å; L260-L313 HydrophobicContact CD2-CG 4.5Å; L260-K319 HydrophobicContact CD1-CB 4.5Å; L260-K319 HydrophobicContact CD1-CD 3.82Å; L260-K319 HydrophobicContact CD1-CG 4.45Å; L260-L323 HydrophobicContact CB-CD1 4Å; L260-L323 HydrophobicContact CD1-CD1 4.11Å; L260-L323 HydrophobicContact CD2-CD1 4.29Å; L260-L323 HydrophobicContact CG-CD1 4.36Å; L260-I329 HydrophobicContact CB-CG2 3.72Å; L260-A330 PolarHBondContact N-O 2.99Å; L260-L331 HydrophobicContact CB-CD2 4.03Å; L260-L331 HydrophobicContact CD2-CD2 4.05Å; L260-L331 HydrophobicContact CG-CD2 4.34Å; L260-L331 WeakPolarHBondContact O-CA 3.22Å; L260-A332 PolarHBondContact O-N 3.27Å
261	A	98.2	Very high	96.7	Very high	68 Å²	68	53.7 Å²	53.7	56%	0.562	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	130.8	172.4	0	0	0	0	0	110.7	A332	A261-A332 CarbonylContact C-O 3.58Å; A261-A332 VanDerWaalsContact CA-O 3.3Å; A261-A332 WeakPolarHBondContact CA-O 3.26Å
262	I	98.5	Very high	96.9	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.062	27%	0.268	C	S	.	.			trans	-112.1	150.8	-179.9	67.8	171.2	0	0	0	111.1	D266 L267 L270 L313 L331 A332 V338	I262-D266 HydrophobicContact CB-CB 3.82Å; I262-L267 HydrophobicContact CD1-CB 4.44Å; I262-L267 HydrophobicContact CD1-CD1 4.33Å; I262-L270 HydrophobicContact CD1-CD2 4.02Å; I262-L313 HydrophobicContact CG2-CD1 4.09Å; I262-L313 HydrophobicContact CG2-CD2 4.3Å; I262-L331 HydrophobicContact CG2-CB 4.26Å; I262-L331 HydrophobicContact CG2-CD2 4.23Å; I262-A332 WeakPolarHBondContact CG1-O 3.32Å; I262-A332 PolarHBondContact N-O 3.17Å; I262-V338 HydrophobicContact CD1-CG2 4.02Å
263	S	98	Very high	97.2	Very high	55 Å²	55	39.8 Å²	39.8	39%	0.385	23%	0.229	S	C	.	.			trans	-79.1	174.3	178.3	76.8	0	0	0	0	112.3	I265 D266 L267	S263-I265 VanDerWaalsContact C-N 3.32Å; S263-I265 PolarHBondContact O-N 3.5Å; S263-I265 PolarHBondContact OG-N 2.98Å; S263-D266 WeakPolarHBondContact CA-OD2 3.25Å; S263-D266 WeakPolarHBondContact CB-OD2 3.44Å; S263-D266 PolarHBondContact N-OD2 3.12Å; S263-D266 PolarHBondContact O-N 3.02Å; S263-D266 PolarHBondContact OG-N 2.84Å; S263-D266 PolarHBondContact OG-OD2 2.85Å; S263-L267 PolarHBondContact O-N 3.36Å
264	R	97.7	Very high	97.5	Very high	142 Å²	142	37.5 Å²	37.5	54%	0.536	21%	0.213	S	C	.	.	H	α-helix	trans	-63.1	-37.4	173.7	-173.8	174.7	-179.4	-178.5	2	112.9	L267 Q268 Y333 W392	R264-L267 PolarHBondContact O-N 3.27Å; R264-Q268 WeakPolarHBondContact O-CG 3.34Å; R264-Q268 PolarHBondContact O-N 3.28Å; R264-Q268 VanDerWaalsContact O-N 3.14Å; R264-Y333 HydrophobicContact CB-CE2 3.93Å; R264-Y333 HydrophobicContact CG-CE2 4.48Å; R264-W392 HydrophobicContact CG-CH2 3.85Å; R264-W392 HydrophobicContact CG-CZ3 3.76Å
265	I	98.1	Very high	97.6	Very high	44 Å²	44	36.8 Å²	36.8	23%	0.226	21%	0.21	C	C	.	.	H	α-helix	trans	-69.6	-38.8	177.5	-68.8	173.6	0	0	0	109.7	S263 L267 Q268 W269 M371 W460 P497	S263-I265 VanDerWaalsContact C-N 3.32Å; S263-I265 PolarHBondContact O-N 3.5Å; S263-I265 PolarHBondContact OG-N 2.98Å; I265-L267 VanDerWaalsContact C-N 3.31Å; I265-L267 PolarHBondContact O-N 3.31Å; I265-Q268 WeakPolarHBondContact O-CB 3.43Å; I265-Q268 PolarHBondContact O-N 3.44Å; I265-Q268 VanDerWaalsContact O-N 3.14Å; I265-W269 PolarHBondContact O-N 2.82Å; I265-M371 HydrophobicContact CD1-CE 4.07Å; I265-M371 HydrophobicContact CD1-SD 3.75Å; I265-W460 HydrophobicContact CD1-CB 4.25Å; I265-W460 HydrophobicContact CD1-CD2 4.29Å; I265-W460 HydrophobicContact CD1-CG 3.95Å; I265-W460 HydrophobicContact CG1-CB 3.96Å; I265-W460 HydrophobicContact CG1-CG 4.17Å; I265-P497 HydrophobicContact CG2-CG 4.18Å
266	D	98.6	Very high	97.8	Very high	21 Å²	21	29.2 Å²	29.2	11%	0.112	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-39.3	174.4	-57	-43	0	0	0	111.1	I262 S263 Q268 W269 L270 W284 L313	I262-D266 HydrophobicContact CB-CB 3.82Å; S263-D266 WeakPolarHBondContact CA-OD2 3.25Å; S263-D266 WeakPolarHBondContact CB-OD2 3.44Å; S263-D266 PolarHBondContact N-OD2 3.12Å; S263-D266 PolarHBondContact O-N 3.02Å; S263-D266 PolarHBondContact OG-N 2.84Å; S263-D266 PolarHBondContact OG-OD2 2.85Å; D266-Q268 VanDerWaalsContact C-N 3.3Å; D266-Q268 PolarHBondContact O-N 3.16Å; D266-W269 PolarHBondContact O-N 2.95Å; D266-L270 WeakPolarHBondContact O-CB 3.17Å; D266-L270 PolarHBondContact O-N 3.44Å; D266-W284 WeakPolarHBondContact O-CH2 3.47Å; D266-L313 HydrophobicContact CB-CD1 3.96Å
267	L	98.7	Very high	97.9	Very high	9 Å²	9	24.6 Å²	24.6	5%	0.047	14%	0.137	C	C	.	.	H	α-helix	trans	-62.3	-35.9	173.7	-173.7	68.3	0	0	0	112.4	I262 S263 R264 I265 L270 Q271 Y333 V338 I390 W392	I262-L267 HydrophobicContact CD1-CB 4.44Å; I262-L267 HydrophobicContact CD1-CD1 4.33Å; S263-L267 PolarHBondContact O-N 3.36Å; R264-L267 PolarHBondContact O-N 3.27Å; I265-L267 VanDerWaalsContact C-N 3.31Å; I265-L267 PolarHBondContact O-N 3.31Å; L267-L270 HydrophobicContact CD1-CD2 4.12Å; L267-L270 WeakPolarHBondContact O-CB 3.43Å; L267-L270 PolarHBondContact O-N 3.39Å; L267-Q271 WeakPolarHBondContact O-CB 3.2Å; L267-Q271 PolarHBondContact O-N 2.85Å; L267-Y333 HydrophobicContact CB-CD2 4.19Å; L267-Y333 HydrophobicContact CB-CG 4.41Å; L267-Y333 HydrophobicContact CD1-CG 4.49Å; L267-Y333 HydrophobicContact CD2-CD1 3.54Å; L267-Y333 HydrophobicContact CD2-CD2 4.11Å; L267-Y333 HydrophobicContact CD2-CE1 3.71Å; L267-Y333 HydrophobicContact CD2-CE2 4.28Å; L267-Y333 HydrophobicContact CD2-CG 3.73Å; L267-Y333 HydrophobicContact CG-CG 4.44Å; L267-V338 HydrophobicContact CD1-CG1 4.41Å; L267-V338 HydrophobicContact CD1-CG2 4.15Å; L267-I390 HydrophobicContact CD1-CD1 3.81Å; L267-I390 HydrophobicContact CD1-CG1 4.24Å; L267-I390 HydrophobicContact CD1-CG2 4.48Å; L267-I390 HydrophobicContact CD2-CG2 4.41Å; L267-I390 HydrophobicContact CG-CD1 4.38Å; L267-I390 HydrophobicContact CG-CG2 4.3Å; L267-W392 HydrophobicContact CB-CH2 4.34Å; L267-W392 HydrophobicContact CD2-CH2 3.75Å; L267-W392 HydrophobicContact CD2-CZ2 4.22Å; L267-W392 HydrophobicContact CD2-CZ3 4.09Å; L267-W392 HydrophobicContact CG-CH2 4.19Å; L267-W392 HydrophobicContact CG-CZ2 4.38Å
268	Q	98.7	Very high	97.9	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.037	13%	0.129	C	C	.	.	H	α-helix	trans	-67.6	-40.5	175	-69.8	169.6	-8.1	0	0	111.8	R264 I265 D266 Q271 V272 W392 P497	R264-Q268 WeakPolarHBondContact O-CG 3.34Å; R264-Q268 PolarHBondContact O-N 3.28Å; R264-Q268 VanDerWaalsContact O-N 3.14Å; I265-Q268 WeakPolarHBondContact O-CB 3.43Å; I265-Q268 PolarHBondContact O-N 3.44Å; I265-Q268 VanDerWaalsContact O-N 3.14Å; D266-Q268 VanDerWaalsContact C-N 3.3Å; D266-Q268 PolarHBondContact O-N 3.16Å; Q268-Q271 WeakPolarHBondContact O-CB 3.05Å; Q268-Q271 PolarHBondContact O-N 2.83Å; Q268-V272 WeakPolarHBondContact O-CG2 2.99Å; Q268-V272 PolarHBondContact O-N 3.46Å; Q268-W392 HydrophobicContact CG-CH2 3.66Å; Q268-W392 HydrophobicContact CG-CZ2 3.48Å; Q268-W392 VanDerWaalsContact CG-CZ2 3.48Å; Q268-P497 HydrophobicContact CB-CG 3.91Å
269	W	98.8	Very high	97.5	Very high	16 Å²	16	21.5 Å²	21.5	6%	0.061	12%	0.119	C	C	.	.	H	α-helix	trans	-68.8	-36.5	172.7	-77.6	120.7	0	0	0	112.6	I265 D266 Q271 V272 L273 W284 V309 I311 P497 L499 W508	I265-W269 PolarHBondContact O-N 2.82Å; D266-W269 PolarHBondContact O-N 2.95Å; W269-Q271 VanDerWaalsContact C-N 3.27Å; W269-Q271 PolarHBondContact O-N 3.31Å; W269-V272 HydrophobicContact CE3-CB 4.02Å; W269-V272 HydrophobicContact CE3-CG1 4Å; W269-V272 HydrophobicContact CE3-CG2 4.06Å; W269-V272 HydrophobicContact CZ3-CB 4.46Å; W269-V272 HydrophobicContact CZ3-CG1 4.07Å; W269-V272 HydrophobicContact CZ3-CG2 4.28Å; W269-V272 WeakPolarHBondContact O-CB 3.31Å; W269-V272 PolarHBondContact O-N 2.97Å; W269-L273 WeakPolarHBondContact O-CG 3.27Å; W269-L273 PolarHBondContact O-N 3.3Å; W269-W284 HydrophobicContact CB-CH2 3.67Å; W269-W284 HydrophobicContact CB-CZ3 3.68Å; W269-V309 HydrophobicContact CH2-CG1 3.73Å; W269-V309 HydrophobicContact CZ2-CG1 4.18Å; W269-V309 HydrophobicContact CZ3-CG1 4.49Å; W269-I311 HydrophobicContact CB-CG2 4.1Å; W269-I311 HydrophobicContact CD2-CG2 4.14Å; W269-I311 HydrophobicContact CE3-CB 4.35Å; W269-I311 HydrophobicContact CE3-CD1 3.99Å; W269-I311 HydrophobicContact CE3-CG1 3.84Å; W269-I311 HydrophobicContact CE3-CG2 3.74Å; W269-I311 HydrophobicContact CG-CG2 4.33Å; W269-I311 HydrophobicContact CZ3-CD1 3.86Å; W269-I311 HydrophobicContact CZ3-CG1 3.77Å; W269-P497 HydrophobicContact CD2-CG 4.27Å; W269-P497 HydrophobicContact CG-CG 4.42Å; W269-P497 HydrophobicContact CZ2-CB 4.42Å; W269-P497 HydrophobicContact CZ2-CG 4.12Å; W269-L499 HydrophobicContact CH2-CD1 4.32Å; W269-L499 HydrophobicContact CZ2-CD1 3.95Å; W269-L499 HydrophobicContact CZ2-CD2 3.98Å; W269-L499 HydrophobicContact CZ2-CG 4.17Å; W269-W508 AromaticContact CH2-NE1 3.82Å; W269-W508 HydrophobicContact CZ3-CZ2 4Å; W269-W508 AromaticContact CZ3-NE1 3.99Å
270	L	98.8	Very high	96.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59	-41.6	170.7	178.6	59.3	0	0	0	110.5	I262 D266 L267 L273 A274 W284 V338 A339 L384 V386 I390	I262-L270 HydrophobicContact CD1-CD2 4.02Å; D266-L270 WeakPolarHBondContact O-CB 3.17Å; D266-L270 PolarHBondContact O-N 3.44Å; L267-L270 HydrophobicContact CD1-CD2 4.12Å; L267-L270 WeakPolarHBondContact O-CB 3.43Å; L267-L270 PolarHBondContact O-N 3.39Å; L270-L273 PolarHBondContact O-N 2.94Å; L270-A274 WeakPolarHBondContact O-CB 3.46Å; L270-A274 PolarHBondContact O-N 2.89Å; L270-W284 HydrophobicContact CB-CZ2 4.15Å; L270-V338 HydrophobicContact CD2-CB 4.39Å; L270-V338 HydrophobicContact CD2-CG2 3.64Å; L270-A339 HydrophobicContact CD1-CB 4.15Å; L270-A339 HydrophobicContact CD2-CB 3.96Å; L270-L384 HydrophobicContact CD1-CD1 3.47Å; L270-L384 VanDerWaalsContact CD1-CD1 3.47Å; L270-L384 HydrophobicContact CD1-CD2 4.43Å; L270-V386 HydrophobicContact CD1-CG2 3.96Å; L270-I390 HydrophobicContact CB-CD1 4.34Å; L270-I390 HydrophobicContact CD2-CD1 4.29Å; L270-I390 HydrophobicContact CG-CD1 3.99Å
271	Q	98.7	Very high	96.7	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.009	11%	0.109	C	C	.	.	H	α-helix	trans	-62	-43.9	174	-173.9	178.5	1.6	0	0	112.4	L267 Q268 W269 L273 A274 E275 I390 P495	L267-Q271 WeakPolarHBondContact O-CB 3.2Å; L267-Q271 PolarHBondContact O-N 2.85Å; Q268-Q271 WeakPolarHBondContact O-CB 3.05Å; Q268-Q271 PolarHBondContact O-N 2.83Å; W269-Q271 VanDerWaalsContact C-N 3.27Å; W269-Q271 PolarHBondContact O-N 3.31Å; Q271-L273 VanDerWaalsContact C-N 3.32Å; Q271-L273 PolarHBondContact O-N 3.33Å; Q271-A274 PolarHBondContact O-N 3.24Å; Q271-E275 VanDerWaalsContact CD-OE1 3.24Å; Q271-E275 HydrophobicContact CG-CG 4.28Å; Q271-E275 WeakPolarHBondContact CG-OE1 3.39Å; Q271-E275 PolarHBondContact NE2-OE1 3.36Å; Q271-E275 WeakPolarHBondContact O-CB 3.47Å; Q271-E275 VanDerWaalsContact O-CG 3.27Å; Q271-E275 WeakPolarHBondContact O-CG 3.46Å; Q271-E275 PolarHBondContact O-N 3.12Å; Q271-E275 VanDerWaalsContact O-N 3.09Å; Q271-I390 HydrophobicContact CB-CB 4.38Å; Q271-I390 HydrophobicContact CB-CD1 3.68Å; Q271-I390 HydrophobicContact CB-CG2 4.41Å; Q271-I390 HydrophobicContact CG-CB 4.23Å; Q271-I390 HydrophobicContact CG-CD1 4.35Å; Q271-I390 HydrophobicContact CG-CG2 4.43Å; Q271-P495 HydrophobicContact CB-CB 4.36Å; Q271-P495 VanDerWaalsContact CD-CB 3.43Å; Q271-P495 HydrophobicContact CG-CB 3.8Å; Q271-P495 HydrophobicContact CG-CG 4.18Å
272	V	98.7	Very high	96.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-55.9	-46.7	174.1	165.7	0	0	0	0	111.4	Q268 W269 W277 A278 I311 P495 W508	Q268-V272 WeakPolarHBondContact O-CG2 2.99Å; Q268-V272 PolarHBondContact O-N 3.46Å; W269-V272 HydrophobicContact CE3-CB 4.02Å; W269-V272 HydrophobicContact CE3-CG1 4Å; W269-V272 HydrophobicContact CE3-CG2 4.06Å; W269-V272 HydrophobicContact CZ3-CB 4.46Å; W269-V272 HydrophobicContact CZ3-CG1 4.07Å; W269-V272 HydrophobicContact CZ3-CG2 4.28Å; W269-V272 WeakPolarHBondContact O-CB 3.31Å; W269-V272 PolarHBondContact O-N 2.97Å; V272-W277 HydrophobicContact CG1-CB 3.92Å; V272-W277 WeakPolarHBondContact O-CB 3.5Å; V272-W277 PolarHBondContact O-N 3.32Å; V272-W277 VanDerWaalsContact O-N 3.12Å; V272-A278 HydrophobicContact CG1-CB 4.15Å; V272-I311 HydrophobicContact CG1-CD1 3.9Å; V272-P495 HydrophobicContact CG2-CB 4.48Å; V272-P495 HydrophobicContact CG2-CG 4.07Å; V272-W508 HydrophobicContact CG1-CH2 3.55Å; V272-W508 HydrophobicContact CG1-CZ2 3.45Å; V272-W508 VanDerWaalsContact CG1-CZ2 3.45Å
273	L	98.6	Very high	96.5	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-66.8	-50	177.9	-68.7	168.5	0	0	0	111.6	L240 W269 L270 Q271 E275 G276 A278 L281 G283 W284 I311 L384	L240-L273 HydrophobicContact CD1-CB 4.13Å; L240-L273 WeakPolarHBondContact CD1-O 3.46Å; W269-L273 WeakPolarHBondContact O-CG 3.27Å; W269-L273 PolarHBondContact O-N 3.3Å; L270-L273 PolarHBondContact O-N 2.94Å; Q271-L273 VanDerWaalsContact C-N 3.32Å; Q271-L273 PolarHBondContact O-N 3.33Å; L273-E275 VanDerWaalsContact C-N 3.31Å; L273-E275 PolarHBondContact O-N 2.96Å; L273-G276 PolarHBondContact O-N 3.45Å; L273-A278 HydrophobicContact CD2-CB 4.18Å; L273-L281 HydrophobicContact CD2-CB 3.92Å; L273-L281 HydrophobicContact CD2-CD1 4.03Å; L273-G283 VanDerWaalsContact CD2-O 3.29Å; L273-G283 WeakPolarHBondContact CD2-O 3.43Å; L273-W284 HydrophobicContact CD1-CD2 3.87Å; L273-W284 HydrophobicContact CD1-CE3 3.74Å; L273-W284 HydrophobicContact CD1-CG 4.47Å; L273-W284 HydrophobicContact CD1-CH2 4.43Å; L273-W284 HydrophobicContact CD1-CZ3 4.05Å; L273-I311 HydrophobicContact CD1-CG2 3.83Å; L273-I311 HydrophobicContact CD2-CB 4.48Å; L273-I311 HydrophobicContact CD2-CD1 4.38Å; L273-I311 HydrophobicContact CD2-CG2 3.97Å; L273-I311 HydrophobicContact CG-CG2 3.84Å; L273-L384 HydrophobicContact CB-CD1 4.38Å; L273-L384 HydrophobicContact CD1-CD1 3.83Å
274	A	98.3	Very high	96.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.4	-37.3	-172.7	0	0	0	0	0	113.3	E239 L240 F241 L270 Q271 G276 V386	E239-A274 CarbonylContact C-O 3.56Å; E239-A274 WeakPolarHBondContact CA-O 3.32Å; L240-A274 PolarHBondContact N-O 3.5Å; F241-A274 HydrophobicContact CD1-CB 4.38Å; F241-A274 HydrophobicContact CE1-CB 3.6Å; F241-A274 WeakPolarHBondContact CE2-O 3.28Å; F241-A274 HydrophobicContact CZ-CB 3.68Å; L270-A274 WeakPolarHBondContact O-CB 3.46Å; L270-A274 PolarHBondContact O-N 2.89Å; Q271-A274 PolarHBondContact O-N 3.24Å; A274-G276 VanDerWaalsContact C-N 3.3Å; A274-V386 HydrophobicContact CB-CB 4.14Å; A274-V386 HydrophobicContact CB-CG1 4.02Å; A274-V386 HydrophobicContact CB-CG2 3.77Å
275	E	97.4	Very high	96.6	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-2.2	179.9	-62.8	176.5	-167.1	0	0	113.2	F241 Q271 L273 W277 R389 T402 P403	F241-E275 HydrophobicContact CE2-CG 4.33Å; F241-E275 HydrophobicContact CZ-CG 3.98Å; Q271-E275 VanDerWaalsContact CD-OE1 3.24Å; Q271-E275 HydrophobicContact CG-CG 4.28Å; Q271-E275 WeakPolarHBondContact CG-OE1 3.39Å; Q271-E275 PolarHBondContact NE2-OE1 3.36Å; Q271-E275 WeakPolarHBondContact O-CB 3.47Å; Q271-E275 VanDerWaalsContact O-CG 3.27Å; Q271-E275 WeakPolarHBondContact O-CG 3.46Å; Q271-E275 PolarHBondContact O-N 3.12Å; Q271-E275 VanDerWaalsContact O-N 3.09Å; L273-E275 VanDerWaalsContact C-N 3.31Å; L273-E275 PolarHBondContact O-N 2.96Å; E275-W277 PolarHBondContact OE2-NE1 3.48Å; E275-R389 VanDerWaalsContact CD-CZ 3.44Å; E275-R389 IonicContact OE1-CZ 2.73Å; E275-R389 IonicContact OE1-NH1 2.66Å; E275-R389 PolarHBondContact OE1-NH1 2.93Å; E275-R389 IonicContact OE1-NH2 2.65Å; E275-R389 PolarHBondContact OE1-NH2 2.99Å; E275-R389 IonicContact OE2-NH2 3.91Å; E275-R389 PolarHBondContact OE2-NH2 3.33Å; E275-T402 HydrophobicContact CB-CG2 4.29Å; E275-T402 HydrophobicContact CG-CG2 4.03Å; E275-P403 WeakPolarHBondContact O-CD 3.5Å
276	G	94.3	Very high	96.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	19.5	178.7	0	0	0	0	0	115.3	R238 L273 A274 A278 S279	R238-G276 WeakPolarHBondContact O-CA 3.32Å; L273-G276 PolarHBondContact O-N 3.45Å; A274-G276 VanDerWaalsContact C-N 3.3Å; G276-A278 PolarHBondContact O-N 3.14Å; G276-S279 WeakPolarHBondContact CA-OG 3.49Å; G276-S279 PolarHBondContact O-N 3.49Å; G276-S279 PolarHBondContact O-OG 3Å
277	W	95.9	Very high	96.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-29.8	172	-66.7	101	0	0	0	112.6	V272 E275 P403 I406 H455 F494 P495 W508 A512 A516	V272-W277 HydrophobicContact CG1-CB 3.92Å; V272-W277 WeakPolarHBondContact O-CB 3.5Å; V272-W277 PolarHBondContact O-N 3.32Å; V272-W277 VanDerWaalsContact O-N 3.12Å; E275-W277 PolarHBondContact OE2-NE1 3.48Å; W277-P403 HydrophobicContact CD2-CG 3.5Å; W277-P403 VanDerWaalsContact CD2-CG 3.5Å; W277-P403 HydrophobicContact CE3-CG 3.62Å; W277-P403 HydrophobicContact CG-CG 4.05Å; W277-P403 HydrophobicContact CH2-CG 3.91Å; W277-P403 HydrophobicContact CZ2-CG 3.82Å; W277-P403 HydrophobicContact CZ3-CG 3.82Å; W277-I406 HydrophobicContact CH2-CD1 3.6Å; W277-I406 HydrophobicContact CZ2-CD1 4.21Å; W277-H455 AromaticContact CH2-CE1 3.31Å; W277-H455 WeakPolarHBondContact CH2-CE1 3.49Å; W277-H455 AromaticContact CH2-NE2 3.65Å; W277-H455 AromaticContact CZ3-CE1 3.62Å; W277-F494 HydrophobicContact CB-CE2 4.4Å; W277-F494 AromaticContact CD2-CD2 3.95Å; W277-F494 HydrophobicContact CD2-CD2 3.95Å; W277-F494 AromaticContact CD2-CE2 3.76Å; W277-F494 HydrophobicContact CD2-CE2 3.76Å; W277-F494 AromaticContact CE3-CD2 3.86Å; W277-F494 HydrophobicContact CE3-CD2 3.86Å; W277-F494 AromaticContact CE3-CE2 3.68Å; W277-F494 HydrophobicContact CE3-CE2 3.68Å; W277-F494 HydrophobicContact CG-CE2 4.09Å; W277-F494 HydrophobicContact CH2-CD2 4.27Å; W277-F494 HydrophobicContact CZ2-CD2 4.35Å; W277-F494 HydrophobicContact CZ3-CD2 4.03Å; W277-F494 HydrophobicContact CZ3-CE2 4.28Å; W277-P495 HydrophobicContact CG-CG 4.48Å; W277-P495 VanDerWaalsContact NE1-CG 3.32Å; W277-W508 HydrophobicContact CB-CH2 4.17Å; W277-A512 HydrophobicContact CE3-CB 4.19Å; W277-A512 WeakPolarHBondContact CZ3-O 3.47Å; W277-A516 HydrophobicContact CH2-CB 4.25Å; W277-A516 HydrophobicContact CZ3-CB 3.92Å
278	A	95	Very high	96.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	13.9	-178.9	0	0	0	0	0	113.6	V272 L273 G276 L281 I311 W508 R511	V272-A278 HydrophobicContact CG1-CB 4.15Å; L273-A278 HydrophobicContact CD2-CB 4.18Å; G276-A278 PolarHBondContact O-N 3.14Å; A278-L281 HydrophobicContact CB-CD1 3.96Å; A278-L281 WeakPolarHBondContact O-CB 3.48Å; A278-L281 WeakPolarHBondContact O-CG 3.27Å; A278-L281 PolarHBondContact O-N 3.42Å; A278-L281 VanDerWaalsContact O-N 3.15Å; A278-I311 HydrophobicContact CB-CD1 3.44Å; A278-I311 VanDerWaalsContact CB-CD1 3.44Å; A278-W508 HydrophobicContact CB-CH2 3.84Å; A278-W508 HydrophobicContact CB-CZ3 4.07Å; A278-R511 VanDerWaalsContact C-NH2 3.27Å; A278-R511 PolarHBondContact O-NH2 3.35Å
279	S	89.7	Confident	96.5	Very high	11 Å²	11	17.9 Å²	17.9	8%	0.077	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	133	178.5	-57.6	0	0	0	0	111.2	G236 R238 G276 R511	G236-S279 WeakPolarHBondContact O-CB 3.2Å; R238-S279 PolarHBondContact N-OG 3.09Å; R238-S279 PolarHBondContact O-OG 2.95Å; G276-S279 WeakPolarHBondContact CA-OG 3.49Å; G276-S279 PolarHBondContact O-N 3.49Å; G276-S279 PolarHBondContact O-OG 3Å; S279-R511 PolarHBondContact O-NH2 3.46Å
280	P	86.7	Confident	96.5	Very high	24 Å²	24	17.4 Å²	17.4	16%	0.156	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.9	7.7	28.6	37.7	-39.1	0	0	0	115.4	T282 L299 I305	P280-T282 PolarHBondContact O-N 3.18Å; P280-L299 HydrophobicContact CG-CD1 4.32Å; P280-I305 VanDerWaalsContact CD-CD1 3.48Å; P280-I305 HydrophobicContact CG-CD1 3.77Å
281	L	93.5	Very high	96.5	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.105	C	C	.	.			trans	-53.6	129.6	177.7	-66.2	178.5	0	0	0	110.8	L273 A278 M285 L299 I311	L273-L281 HydrophobicContact CD2-CB 3.92Å; L273-L281 HydrophobicContact CD2-CD1 4.03Å; A278-L281 HydrophobicContact CB-CD1 3.96Å; A278-L281 WeakPolarHBondContact O-CB 3.48Å; A278-L281 WeakPolarHBondContact O-CG 3.27Å; A278-L281 PolarHBondContact O-N 3.42Å; A278-L281 VanDerWaalsContact O-N 3.15Å; L281-M285 HydrophobicContact CD1-CE 3.56Å; L281-M285 HydrophobicContact CD1-CG 4.09Å; L281-M285 HydrophobicContact CD2-CE 4.41Å; L281-M285 HydrophobicContact CD2-CG 4.06Å; L281-L299 HydrophobicContact CD2-CD1 3.67Å; L281-L299 HydrophobicContact CD2-CD2 4.32Å; L281-L299 HydrophobicContact CG-CD1 3.97Å; L281-I311 HydrophobicContact CD1-CD1 4.24Å
282	T	93.7	Very high	96.4	Very high	46 Å²	46	21.4 Å²	21.4	28%	0.282	11%	0.109	S	C	.	.			trans	-96.3	0.1	177.1	50.8	0	0	0	0	112.9	L240 P280 L384	L240-T282 WeakPolarHBondContact CD1-O 3.33Å; P280-T282 PolarHBondContact O-N 3.18Å; T282-L384 PolarHBondContact O-N 3.24Å
283	G	98.1	Very high	96.4	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-153	-179.3	0	0	0	0	0	112.1	L273 G382	L273-G283 VanDerWaalsContact CD2-O 3.29Å; L273-G283 WeakPolarHBondContact CD2-O 3.43Å; G283-G382 CarbonylContact C-O 3.5Å; G283-G382 VanDerWaalsContact CA-O 3.27Å; G283-G382 WeakPolarHBondContact CA-O 3.38Å
284	W	98.8	Very high	96.4	Very high	1 Å²	1	22 Å²	22	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	138	176.3	-58.2	111.9	0	0	0	109.7	D266 W269 L270 L273 T286 I311 V312 L313 V380 G381 G382	D266-W284 WeakPolarHBondContact O-CH2 3.47Å; W269-W284 HydrophobicContact CB-CH2 3.67Å; W269-W284 HydrophobicContact CB-CZ3 3.68Å; L270-W284 HydrophobicContact CB-CZ2 4.15Å; L273-W284 HydrophobicContact CD1-CD2 3.87Å; L273-W284 HydrophobicContact CD1-CE3 3.74Å; L273-W284 HydrophobicContact CD1-CG 4.47Å; L273-W284 HydrophobicContact CD1-CH2 4.43Å; L273-W284 HydrophobicContact CD1-CZ3 4.05Å; W284-T286 PolarHBondContact O-N 3.31Å; W284-I311 HydrophobicContact CE3-CG2 4.12Å; W284-I311 HydrophobicContact CZ3-CG2 3.95Å; W284-V312 VanDerWaalsContact CE3-C 3.5Å; W284-L313 HydrophobicContact CD2-CB 3.62Å; W284-L313 HydrophobicContact CE3-CB 3.92Å; W284-L313 HydrophobicContact CG-CB 3.87Å; W284-L313 HydrophobicContact CH2-CB 4.49Å; W284-L313 HydrophobicContact CZ2-CB 4.26Å; W284-L313 HydrophobicContact CZ2-CD1 4.25Å; W284-L313 HydrophobicContact CZ2-CD2 4.4Å; W284-L313 HydrophobicContact CZ3-CB 4.33Å; W284-V380 VanDerWaalsContact CB-O 3.28Å; W284-V380 WeakPolarHBondContact CB-O 3.39Å; W284-G381 CarbonylContact O-C 3.57Å; W284-G381 WeakPolarHBondContact O-CA 3.5Å; W284-G382 PolarHBondContact N-O 3.37Å; W284-G382 VanDerWaalsContact N-O 3.12Å; W284-G382 PolarHBondContact O-N 2.93Å
285	M	98.8	Very high	96.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-59.3	131.6	-173.3	-70.6	175.5	174.3	0	0	112	L281 Q289 T293 Q307 P310 I311 V312 Y347 G381	L281-M285 HydrophobicContact CD1-CE 3.56Å; L281-M285 HydrophobicContact CD1-CG 4.09Å; L281-M285 HydrophobicContact CD2-CE 4.41Å; L281-M285 HydrophobicContact CD2-CG 4.06Å; M285-Q289 HydrophobicContact CB-CB 3.94Å; M285-Q289 HydrophobicContact CG-CB 4.06Å; M285-T293 HydrophobicContact CE-CG2 4.22Å; M285-T293 WeakPolarHBondContact CE-OG1 3.23Å; M285-T293 HydrophobicContact SD-CG2 4.48Å; M285-Q307 HydrophobicContact CE-CG 3.45Å; M285-Q307 VanDerWaalsContact CE-CG 3.45Å; M285-P310 HydrophobicContact SD-CB 4.38Å; M285-I311 HydrophobicContact CE-CB 4.39Å; M285-I311 HydrophobicContact CE-CG1 4.42Å; M285-I311 WeakPolarHBondContact CG-O 3.48Å; M285-I311 PolarHBondContact N-O 3.19Å; M285-I311 VanDerWaalsContact N-O 3.15Å; M285-I311 PolarHBondContact SD-N 3.27Å; M285-I311 VanDerWaalsContact SD-N 3.42Å; M285-V312 HydrophobicContact CB-CG1 4.05Å; M285-V312 HydrophobicContact SD-CG1 4.46Å; M285-Y347 PolarHBondContact O-OH 3.34Å; M285-G381 WeakPolarHBondContact O-CA 3.47Å
286	T	98.5	Very high	96.2	Very high	40 Å²	40	31 Å²	31	25%	0.245	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-62.3	164.4	162.8	56.8	0	0	0	0	110.6	W284 K288 Q289 Y290 E345	W284-T286 PolarHBondContact O-N 3.31Å; T286-K288 PolarHBondContact O-N 3.44Å; T286-Q289 PolarHBondContact O-N 3.22Å; T286-Q289 VanDerWaalsContact O-N 3.13Å; T286-Q289 VanDerWaalsContact OG1-CG 3.29Å; T286-Q289 WeakPolarHBondContact OG1-CG 3.4Å; T286-Q289 PolarHBondContact OG1-N 3.16Å; T286-Q289 PolarHBondContact OG1-OE1 3.12Å; T286-Y290 WeakPolarHBondContact O-CB 3.21Å; T286-Y290 PolarHBondContact O-N 3.36Å; T286-E345 WeakPolarHBondContact CA-OE2 3.27Å; T286-E345 WeakPolarHBondContact CB-OE2 3.45Å; T286-E345 WeakPolarHBondContact CG2-OE2 3.15Å
287	E	98.6	Very high	96.3	Very high	84 Å²	84	33.4 Å²	33.4	39%	0.393	17%	0.166	S	C	.	.	H	α-helix	trans	-57.1	-42.3	179.2	-174.3	173.9	-136.8	0	0	110.8	Q289 Y290 L291 E345 Y347	E287-Q289 PolarHBondContact O-N 3.12Å; E287-Y290 WeakPolarHBondContact O-CB 3.3Å; E287-Y290 PolarHBondContact O-N 3.15Å; E287-L291 HydrophobicContact CG-CD1 3.97Å; E287-L291 HydrophobicContact CG-CG 4.27Å; E287-L291 WeakPolarHBondContact O-CB 3.36Å; E287-L291 VanDerWaalsContact O-CG 3.32Å; E287-L291 WeakPolarHBondContact O-CG 3.41Å; E287-L291 PolarHBondContact O-N 2.85Å; E287-E345 PolarHBondContact N-OE2 3.45Å; E287-Y347 HydrophobicContact CB-CD1 3.81Å; E287-Y347 HydrophobicContact CB-CD2 3.99Å; E287-Y347 HydrophobicContact CB-CE1 4.22Å; E287-Y347 HydrophobicContact CB-CE2 4.36Å; E287-Y347 HydrophobicContact CB-CG 3.7Å; E287-Y347 HydrophobicContact CG-CD2 3.9Å; E287-Y347 HydrophobicContact CG-CE2 4.45Å; E287-Y347 HydrophobicContact CG-CG 3.97Å
288	K	98.1	Very high	96.2	Very high	111 Å²	111	34 Å²	34	48%	0.483	17%	0.169	S	C	.	.	H	α-helix	trans	-56.6	-49.9	176	-175.7	-176	179.9	-160.9	0	112.4	T286 L291 Q292 D301	T286-K288 PolarHBondContact O-N 3.44Å; K288-L291 PolarHBondContact O-N 3.49Å; K288-Q292 WeakPolarHBondContact O-CB 3.47Å; K288-Q292 VanDerWaalsContact O-CG 3.27Å; K288-Q292 WeakPolarHBondContact O-CG 3.42Å; K288-Q292 PolarHBondContact O-N 2.87Å; K288-D301 WeakPolarHBondContact CE-OD1 3.45Å; K288-D301 WeakPolarHBondContact CE-OD2 3.48Å; K288-D301 IonicContact NZ-OD1 2.75Å; K288-D301 PolarHBondContact NZ-OD1 3.35Å; K288-D301 IonicContact NZ-OD2 3.91Å; K288-D301 PolarHBondContact NZ-OD2 2.91Å
289	Q	97.9	Very high	96	Very high	36 Å²	36	34.6 Å²	34.6	17%	0.168	17%	0.171	C	C	.	.	H	α-helix	trans	-67.5	-38	-179.4	-69.8	169	-17.8	0	0	111.8	M285 T286 E287 Q292 T293 L299	M285-Q289 HydrophobicContact CB-CB 3.94Å; M285-Q289 HydrophobicContact CG-CB 4.06Å; T286-Q289 PolarHBondContact O-N 3.22Å; T286-Q289 VanDerWaalsContact O-N 3.13Å; T286-Q289 VanDerWaalsContact OG1-CG 3.29Å; T286-Q289 WeakPolarHBondContact OG1-CG 3.4Å; T286-Q289 PolarHBondContact OG1-N 3.16Å; T286-Q289 PolarHBondContact OG1-OE1 3.12Å; E287-Q289 PolarHBondContact O-N 3.12Å; Q289-Q292 PolarHBondContact O-N 3.45Å; Q289-T293 WeakPolarHBondContact O-CB 3.27Å; Q289-T293 PolarHBondContact O-N 3.03Å; Q289-T293 PolarHBondContact O-OG1 3.42Å; Q289-L299 HydrophobicContact CB-CD2 3.87Å; Q289-L299 HydrophobicContact CG-CD2 4.02Å
290	Y	98.6	Very high	95.6	Very high	6 Å²	6	37.3 Å²	37.3	2%	0.024	18%	0.184	C	C	.	.	H	α-helix	trans	-60.2	-50.3	174.4	167.4	-105.7	0	0	0	111.3	T286 E287 T293 L294 P310 V312 Y347 R354 L379	T286-Y290 WeakPolarHBondContact O-CB 3.21Å; T286-Y290 PolarHBondContact O-N 3.36Å; E287-Y290 WeakPolarHBondContact O-CB 3.3Å; E287-Y290 PolarHBondContact O-N 3.15Å; Y290-T293 WeakPolarHBondContact O-CB 3.3Å; Y290-T293 PolarHBondContact O-N 3.07Å; Y290-L294 HydrophobicContact CE1-CD2 4.16Å; Y290-L294 HydrophobicContact CE2-CD2 4.44Å; Y290-L294 VanDerWaalsContact O-CB 3.3Å; Y290-L294 WeakPolarHBondContact O-CB 3.48Å; Y290-L294 PolarHBondContact O-N 3.29Å; Y290-P310 HydrophobicContact CD2-CB 3.97Å; Y290-P310 HydrophobicContact CD2-CG 4.39Å; Y290-P310 HydrophobicContact CE2-CB 4.14Å; Y290-P310 HydrophobicContact CE2-CG 4.28Å; Y290-V312 HydrophobicContact CD2-CG1 3.85Å; Y290-Y347 WeakPolarHBondContact CB-OH 3.39Å; Y290-Y347 HydrophobicContact CD1-CD2 4.42Å; Y290-Y347 AromaticContact CD1-CE2 3.7Å; Y290-Y347 HydrophobicContact CD1-CE2 3.7Å; Y290-Y347 HydrophobicContact CE1-CE2 4.35Å; Y290-Y347 AromaticContact CG-CE2 3.86Å; Y290-Y347 HydrophobicContact CG-CE2 3.86Å; Y290-R354 HydrophobicContact CE2-CG 4.39Å; Y290-R354 WeakPolarHBondContact OH-CB 3.45Å; Y290-L379 HydrophobicContact CD2-CD1 4.26Å; Y290-L379 HydrophobicContact CE2-CD1 4.09Å
291	L	98.3	Very high	94.8	Very high	66 Å²	66	40.2 Å²	40.2	35%	0.346	20%	0.198	S	C	.	.	H	α-helix	trans	-65.5	-40.2	178.4	-68.6	175.9	0	0	0	112	E287 K288 T293 L294 H295	E287-L291 HydrophobicContact CG-CD1 3.97Å; E287-L291 HydrophobicContact CG-CG 4.27Å; E287-L291 WeakPolarHBondContact O-CB 3.36Å; E287-L291 VanDerWaalsContact O-CG 3.32Å; E287-L291 WeakPolarHBondContact O-CG 3.41Å; E287-L291 PolarHBondContact O-N 2.85Å; K288-L291 PolarHBondContact O-N 3.49Å; L291-T293 VanDerWaalsContact C-N 3.34Å; L291-T293 PolarHBondContact O-N 3.41Å; L291-L294 PolarHBondContact O-N 3.4Å; L291-H295 WeakPolarHBondContact O-CB 3.3Å; L291-H295 PolarHBondContact O-CD2 3.01Å; L291-H295 VanDerWaalsContact O-CD2 3.28Å; L291-H295 PolarHBondContact O-N 3.15Å
292	Q	97.5	Very high	93	Very high	20 Å²	20	45.1 Å²	45.1	9%	0.093	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-46.7	175.2	-74.7	179.3	2.2	0	0	111.5	K288 Q289 F296 Q298 D301	K288-Q292 WeakPolarHBondContact O-CB 3.47Å; K288-Q292 VanDerWaalsContact O-CG 3.27Å; K288-Q292 WeakPolarHBondContact O-CG 3.42Å; K288-Q292 PolarHBondContact O-N 2.87Å; Q289-Q292 PolarHBondContact O-N 3.45Å; Q292-F296 WeakPolarHBondContact O-CA 3.46Å; Q292-F296 WeakPolarHBondContact O-CB 3.38Å; Q292-F296 PolarHBondContact O-N 2.91Å; Q292-Q298 CarbonylContact C-O 3.39Å; Q292-Q298 VanDerWaalsContact CB-O 3.24Å; Q292-Q298 WeakPolarHBondContact CB-O 3.39Å; Q292-D301 PolarHBondContact NE2-OD1 3.27Å
293	T	97.9	Very high	91.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-50.4	176.3	-64.6	0	0	0	0	110.9	M285 Q289 Y290 L291 H295 N297 Q298 Q307 P310	M285-T293 HydrophobicContact CE-CG2 4.22Å; M285-T293 WeakPolarHBondContact CE-OG1 3.23Å; M285-T293 HydrophobicContact SD-CG2 4.48Å; Q289-T293 WeakPolarHBondContact O-CB 3.27Å; Q289-T293 PolarHBondContact O-N 3.03Å; Q289-T293 PolarHBondContact O-OG1 3.42Å; Y290-T293 WeakPolarHBondContact O-CB 3.3Å; Y290-T293 PolarHBondContact O-N 3.07Å; L291-T293 VanDerWaalsContact C-N 3.34Å; L291-T293 PolarHBondContact O-N 3.41Å; T293-H295 PolarHBondContact O-N 3.19Å; T293-N297 VanDerWaalsContact O-CA 3.24Å; T293-N297 WeakPolarHBondContact O-CA 3.43Å; T293-N297 PolarHBondContact O-N 2.89Å; T293-Q298 PolarHBondContact N-O 3.16Å; T293-Q307 HydrophobicContact CG2-CG 4.05Å; T293-Q307 VanDerWaalsContact CG2-O 3.32Å; T293-Q307 WeakPolarHBondContact CG2-O 3.48Å; T293-Q307 WeakPolarHBondContact OG1-CG 3.33Å; T293-P310 HydrophobicContact CG2-CB 4.27Å; T293-P310 HydrophobicContact CG2-CG 3.76Å
294	L	97.9	Very high	90.4	Very high	13 Å²	13	53.8 Å²	53.8	7%	0.068	26%	0.255	C	S	.	.	H	α-helix	trans	-69.4	-34	-172.9	-164.9	69.6	0	0	0	113.6	Y290 L291 P310 E353 R354 R357 Q358	Y290-L294 HydrophobicContact CE1-CD2 4.16Å; Y290-L294 HydrophobicContact CE2-CD2 4.44Å; Y290-L294 VanDerWaalsContact O-CB 3.3Å; Y290-L294 WeakPolarHBondContact O-CB 3.48Å; Y290-L294 PolarHBondContact O-N 3.29Å; L291-L294 PolarHBondContact O-N 3.4Å; L294-P310 HydrophobicContact CD1-CG 4.24Å; L294-E353 HydrophobicContact CD2-CG 4.14Å; L294-R354 HydrophobicContact CD1-CG 4.44Å; L294-R357 HydrophobicContact CD1-CB 3.67Å; L294-R357 HydrophobicContact CD2-CB 4.4Å; L294-R357 HydrophobicContact CG-CB 3.77Å; L294-R357 HydrophobicContact CG-CG 4.3Å; L294-Q358 HydrophobicContact CD1-CB 4.45Å
295	H	97.2	Very high	89.6	Confident	73 Å²	73	55.3 Å²	55.3	34%	0.338	26%	0.263	S	S	.	.	H	α-helix	trans	-96.9	-26.1	-176.6	-72.9	-97.3	0	0	0	114	L291 T293 E353 R357	L291-H295 WeakPolarHBondContact O-CB 3.3Å; L291-H295 PolarHBondContact O-CD2 3.01Å; L291-H295 VanDerWaalsContact O-CD2 3.28Å; L291-H295 PolarHBondContact O-N 3.15Å; T293-H295 PolarHBondContact O-N 3.19Å; H295-E353 IonicContact CE1-OE1 2.59Å; H295-E353 IonicContact NE2-OE1 3.08Å; H295-R357 PolarHBondContact CE1-NE 3.47Å; H295-R357 VanDerWaalsContact CE1-NE 3.31Å; H295-R357 PolarHBondContact CE1-NH2 3.05Å; H295-R357 VanDerWaalsContact CE1-NH2 3.26Å
296	F	95.9	Very high	89.3	Confident	118 Å²	118	55.3 Å²	55.3	52%	0.518	26%	0.263	S	S	.	.	H	α-helix	trans	-127.2	-3.9	-171.7	-51.2	-67.4	0	0	0	113.9	Q292 Q298 M300	Q292-F296 WeakPolarHBondContact O-CA 3.46Å; Q292-F296 WeakPolarHBondContact O-CB 3.38Å; Q292-F296 PolarHBondContact O-N 2.91Å; F296-Q298 WeakPolarHBondContact O-CG 3.42Å; F296-Q298 PolarHBondContact O-N 3.47Å; F296-M300 HydrophobicContact CB-CE 3.28Å; F296-M300 HydrophobicContact CD1-CE 4.03Å; F296-M300 HydrophobicContact CD2-CE 3.4Å; F296-M300 VanDerWaalsContact CD2-CE 3.4Å; F296-M300 HydrophobicContact CD2-SD 4.38Å; F296-M300 HydrophobicContact CE2-CE 4.23Å; F296-M300 HydrophobicContact CG-CE 3.29Å
297	N	96.5	Very high	89.1	Confident	51 Å²	51	53.4 Å²	53.4	27%	0.273	25%	0.251	S	S	.	.	S	Bend	trans	53.2	31.2	-172.4	-65.2	-48.9	0	0	0	112.7	T293 Q307 S308	T293-N297 VanDerWaalsContact O-CA 3.24Å; T293-N297 WeakPolarHBondContact O-CA 3.43Å; T293-N297 PolarHBondContact O-N 2.89Å; N297-Q307 CarbonylContact C-O 3.59Å; N297-Q307 VanDerWaalsContact CA-O 3.24Å; N297-Q307 WeakPolarHBondContact CA-O 3.42Å; N297-Q307 CarbonylContact O-C 3.57Å; N297-Q307 PolarHBondContact O-N 2.83Å; N297-S308 WeakPolarHBondContact OD1-CA 3.36Å
298	Q	93.4	Very high	89.1	Confident	13 Å²	13	49.5 Å²	49.5	6%	0.061	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156.5	-175.9	-65.1	-167.3	-67.7	0	0	112.8	Q292 T293 F296 M300 I305 Q307 P553	Q292-Q298 CarbonylContact C-O 3.39Å; Q292-Q298 VanDerWaalsContact CB-O 3.24Å; Q292-Q298 WeakPolarHBondContact CB-O 3.39Å; T293-Q298 PolarHBondContact N-O 3.16Å; F296-Q298 WeakPolarHBondContact O-CG 3.42Å; F296-Q298 PolarHBondContact O-N 3.47Å; Q298-M300 HydrophobicContact CB-CE 4.39Å; Q298-I305 CarbonylContact C-O 3.57Å; Q298-I305 WeakPolarHBondContact CA-O 3.46Å; Q298-I305 WeakPolarHBondContact CB-O 3.25Å; Q298-Q307 PolarHBondContact N-O 3.1Å; Q298-P553 HydrophobicContact CG-CG 4.07Å; Q298-P553 VanDerWaalsContact NE2-CB 3.34Å
299	L	89.9	Confident	89.1	Confident	11 Å²	11	44.2 Å²	44.2	6%	0.058	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.6	155.5	-62.4	173.3	0	0	0	108.3	P280 L281 Q289 R304 I305 Q307	P280-L299 HydrophobicContact CG-CD1 4.32Å; L281-L299 HydrophobicContact CD2-CD1 3.67Å; L281-L299 HydrophobicContact CD2-CD2 4.32Å; L281-L299 HydrophobicContact CG-CD1 3.97Å; Q289-L299 HydrophobicContact CB-CD2 3.87Å; Q289-L299 HydrophobicContact CG-CD2 4.02Å; L299-R304 WeakPolarHBondContact O-CA 3.29Å; L299-I305 PolarHBondContact N-O 3.43Å; L299-I305 PolarHBondContact O-N 3.21Å; L299-Q307 HydrophobicContact CD1-CB 4.34Å; L299-Q307 HydrophobicContact CD1-CG 4.36Å; L299-Q307 HydrophobicContact CD2-CG 4.47Å; L299-Q307 HydrophobicContact CG-CB 3.87Å; L299-Q307 HydrophobicContact CG-CG 4.11Å
300	M	81.5	Confident	89.1	Confident	68 Å²	68	42.6 Å²	42.6	34%	0.335	20%	0.203	S	C	.	.			trans	-122.6	-7	-170	-58.3	-171.4	179.6	0	0	115.4	F296 Q298	F296-M300 HydrophobicContact CB-CE 3.28Å; F296-M300 HydrophobicContact CD1-CE 4.03Å; F296-M300 HydrophobicContact CD2-CE 3.4Å; F296-M300 VanDerWaalsContact CD2-CE 3.4Å; F296-M300 HydrophobicContact CD2-SD 4.38Å; F296-M300 HydrophobicContact CE2-CE 4.23Å; F296-M300 HydrophobicContact CG-CE 3.29Å; Q298-M300 HydrophobicContact CB-CE 4.39Å
301	D	69.9	Low	89.1	Confident	86 Å²	86	42.3 Å²	42.3	46%	0.46	20%	0.201	S	C	.	.	S	Bend	trans	-74.7	-37.7	-167	-71.2	-4	0	0	0	114	K288 Q292	K288-D301 WeakPolarHBondContact CE-OD1 3.45Å; K288-D301 WeakPolarHBondContact CE-OD2 3.48Å; K288-D301 IonicContact NZ-OD1 2.75Å; K288-D301 PolarHBondContact NZ-OD1 3.35Å; K288-D301 IonicContact NZ-OD2 3.91Å; K288-D301 PolarHBondContact NZ-OD2 2.91Å; Q292-D301 PolarHBondContact NE2-OD1 3.27Å
302	E	56.3	Low	89.1	Confident	103 Å²	103	39.4 Å²	39.4	48%	0.481	19%	0.187	S	C	.	.	S	Bend	trans	-110.2	-46.4	-179	-63.3	179.2	-178.8	0	0	112.3	K45	K45-E302 WeakPolarHBondContact CE-O 3.41Å; K45-E302 PolarHBondContact NZ-O 2.88Å
303	C	62	Low	89.2	Confident	47 Å²	47	38.6 Å²	38.6	32%	0.318	18%	0.183	S	C	.	.	S	Bend	trans	-147.8	152.1	175.8	-105.4	0	0	0	0	107.3	K45 I305	K45-C303 WeakPolarHBondContact CE-SG 3.44Å; K45-C303 PolarHBondContact NZ-SG 2.91Å; C303-I305 HydrophobicContact CB-CD1 4.11Å; C303-I305 HydrophobicContact CB-CG1 3.85Å; C303-I305 PolarHBondContact O-N 3.26Å
304	R	75	Confident	89.2	Confident	182 Å²	182	40.1 Å²	40.1	69%	0.687	19%	0.193	S	C	*	.			trans	-69	95.6	167.3	-74	-168.4	-175.9	-169	2	109.5	L299 G554	L299-R304 WeakPolarHBondContact O-CA 3.29Å; R304-G554 WeakPolarHBondContact O-CA 3.41Å
305	I	82	Confident	89.3	Confident	33 Å²	33	39.7 Å²	39.7	17%	0.169	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.7	-178.2	-64.5	173.2	0	0	0	108.2	P280 Q298 L299 C303 Q307	P280-I305 VanDerWaalsContact CD-CD1 3.48Å; P280-I305 HydrophobicContact CG-CD1 3.77Å; Q298-I305 CarbonylContact C-O 3.57Å; Q298-I305 WeakPolarHBondContact CA-O 3.46Å; Q298-I305 WeakPolarHBondContact CB-O 3.25Å; L299-I305 PolarHBondContact N-O 3.43Å; L299-I305 PolarHBondContact O-N 3.21Å; C303-I305 HydrophobicContact CB-CD1 4.11Å; C303-I305 HydrophobicContact CB-CG1 3.85Å; C303-I305 PolarHBondContact O-N 3.26Å; I305-Q307 PolarHBondContact O-N 3.16Å
306	N	91.6	Very high	89.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	123.1	173.4	-168.7	-79	0	0	0	110.3	Q507 R511 P553 M555	N306-Q507 PolarHBondContact ND2-OE1 3.09Å; N306-R511 HydrophobicContact CB-CG 4.35Å; N306-R511 WeakPolarHBondContact O-CG 3.3Å; N306-R511 PolarHBondContact O-NH1 3.06Å; N306-P553 WeakPolarHBondContact CB-O 3.04Å; N306-P553 PolarHBondContact ND2-O 3.08Å; N306-P553 VanDerWaalsContact ND2-O 3.14Å; N306-M555 HydrophobicContact CB-CG 4.04Å; N306-M555 HydrophobicContact CB-SD 3.7Å
307	Q	95.5	Very high	89.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.			trans	-147.1	90.1	173.6	-179.3	72.5	60.1	0	0	106	M285 T293 N297 Q298 L299 I305 V309 R511	M285-Q307 HydrophobicContact CE-CG 3.45Å; M285-Q307 VanDerWaalsContact CE-CG 3.45Å; T293-Q307 HydrophobicContact CG2-CG 4.05Å; T293-Q307 VanDerWaalsContact CG2-O 3.32Å; T293-Q307 WeakPolarHBondContact CG2-O 3.48Å; T293-Q307 WeakPolarHBondContact OG1-CG 3.33Å; N297-Q307 CarbonylContact C-O 3.59Å; N297-Q307 VanDerWaalsContact CA-O 3.24Å; N297-Q307 WeakPolarHBondContact CA-O 3.42Å; N297-Q307 CarbonylContact O-C 3.57Å; N297-Q307 PolarHBondContact O-N 2.83Å; Q298-Q307 PolarHBondContact N-O 3.1Å; L299-Q307 HydrophobicContact CD1-CB 4.34Å; L299-Q307 HydrophobicContact CD1-CG 4.36Å; L299-Q307 HydrophobicContact CD2-CG 4.47Å; L299-Q307 HydrophobicContact CG-CB 3.87Å; L299-Q307 HydrophobicContact CG-CG 4.11Å; I305-Q307 PolarHBondContact O-N 3.16Å; Q307-V309 PolarHBondContact NE2-O 2.89Å; Q307-R511 VanDerWaalsContact CD-NH1 3.35Å
308	S	97.5	Very high	89.6	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.014	20%	0.2	C	C	.	.			trans	-89.8	-19	-176.8	61.9	0	0	0	0	113.8	N297 T504 W508	N297-S308 WeakPolarHBondContact OD1-CA 3.36Å; S308-T504 WeakPolarHBondContact CB-O 3.38Å; S308-T504 WeakPolarHBondContact O-CG2 3.18Å; S308-T504 PolarHBondContact OG-O 3.46Å; S308-W508 PolarHBondContact OG-N 3.37Å
309	V	98.4	Very high	89.8	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-110.4	121.9	-177.4	169.9	0	0	0	0	109.9	W269 Q307 I311 L499 E505 W508	W269-V309 HydrophobicContact CH2-CG1 3.73Å; W269-V309 HydrophobicContact CZ2-CG1 4.18Å; W269-V309 HydrophobicContact CZ3-CG1 4.49Å; Q307-V309 PolarHBondContact NE2-O 2.89Å; V309-I311 PolarHBondContact O-N 2.88Å; V309-L499 HydrophobicContact CB-CD1 4.35Å; V309-L499 HydrophobicContact CG1-CD1 3.39Å; V309-L499 HydrophobicContact CG2-CD1 3.96Å; V309-E505 HydrophobicContact CG2-CG 4.39Å; V309-W508 HydrophobicContact CB-CB 4.02Å; V309-W508 HydrophobicContact CB-CG 4.06Å; V309-W508 HydrophobicContact CG2-CB 3.51Å; V309-W508 HydrophobicContact CG2-CG 3.88Å
310	P	98.5	Very high	90.2	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.013	22%	0.218	C	C	.	.			trans	-62.9	128.3	169	-22.8	32.2	0	0	0	112.3	M285 Y290 T293 L294 V312	M285-P310 HydrophobicContact SD-CB 4.38Å; Y290-P310 HydrophobicContact CD2-CB 3.97Å; Y290-P310 HydrophobicContact CD2-CG 4.39Å; Y290-P310 HydrophobicContact CE2-CB 4.14Å; Y290-P310 HydrophobicContact CE2-CG 4.28Å; T293-P310 HydrophobicContact CG2-CB 4.27Å; T293-P310 HydrophobicContact CG2-CG 3.76Å; L294-P310 HydrophobicContact CD1-CG 4.24Å; P310-V312 HydrophobicContact CB-CG1 4.28Å
311	I	98.7	Very high	91	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.229	C	C	.	.			trans	-111.1	93.8	173.6	-51.2	180	0	0	0	107.8	W269 V272 L273 A278 L281 W284 M285 V309 W508	W269-I311 HydrophobicContact CB-CG2 4.1Å; W269-I311 HydrophobicContact CD2-CG2 4.14Å; W269-I311 HydrophobicContact CE3-CB 4.35Å; W269-I311 HydrophobicContact CE3-CD1 3.99Å; W269-I311 HydrophobicContact CE3-CG1 3.84Å; W269-I311 HydrophobicContact CE3-CG2 3.74Å; W269-I311 HydrophobicContact CG-CG2 4.33Å; W269-I311 HydrophobicContact CZ3-CD1 3.86Å; W269-I311 HydrophobicContact CZ3-CG1 3.77Å; V272-I311 HydrophobicContact CG1-CD1 3.9Å; L273-I311 HydrophobicContact CD1-CG2 3.83Å; L273-I311 HydrophobicContact CD2-CB 4.48Å; L273-I311 HydrophobicContact CD2-CD1 4.38Å; L273-I311 HydrophobicContact CD2-CG2 3.97Å; L273-I311 HydrophobicContact CG-CG2 3.84Å; A278-I311 HydrophobicContact CB-CD1 3.44Å; A278-I311 VanDerWaalsContact CB-CD1 3.44Å; L281-I311 HydrophobicContact CD1-CD1 4.24Å; W284-I311 HydrophobicContact CE3-CG2 4.12Å; W284-I311 HydrophobicContact CZ3-CG2 3.95Å; M285-I311 HydrophobicContact CE-CB 4.39Å; M285-I311 HydrophobicContact CE-CG1 4.42Å; M285-I311 WeakPolarHBondContact CG-O 3.48Å; M285-I311 PolarHBondContact N-O 3.19Å; M285-I311 VanDerWaalsContact N-O 3.15Å; M285-I311 PolarHBondContact SD-N 3.27Å; M285-I311 VanDerWaalsContact SD-N 3.42Å; V309-I311 PolarHBondContact O-N 2.88Å; I311-W508 HydrophobicContact CD1-CH2 4.11Å; I311-W508 HydrophobicContact CD1-CZ2 4.44Å; I311-W508 HydrophobicContact CD1-CZ3 4.45Å
312	V	98.8	Very high	92.4	Very high	6 Å²	6	49 Å²	49	4%	0.036	23%	0.231	C	C	.	.			trans	-134	153.2	-168.1	-64.8	0	0	0	0	110.7	W284 M285 Y290 P310 R354 L379	W284-V312 VanDerWaalsContact CE3-C 3.5Å; M285-V312 HydrophobicContact CB-CG1 4.05Å; M285-V312 HydrophobicContact SD-CG1 4.46Å; Y290-V312 HydrophobicContact CD2-CG1 3.85Å; P310-V312 HydrophobicContact CB-CG1 4.28Å; V312-R354 VanDerWaalsContact CG2-CZ 3.44Å; V312-L379 HydrophobicContact CB-CD1 3.99Å; V312-L379 HydrophobicContact CB-CD2 3.93Å; V312-L379 HydrophobicContact CB-CG 4.4Å; V312-L379 HydrophobicContact CG1-CD1 4.05Å; V312-L379 HydrophobicContact CG2-CD1 3.97Å; V312-L379 HydrophobicContact CG2-CD2 3.74Å; V312-L379 HydrophobicContact CG2-CG 4.47Å
313	L	98.8	Very high	94.4	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	109.8	178.7	-179.6	61.3	0	0	0	110.6	L260 I262 D266 W284 L331 L379 V380	L260-L313 HydrophobicContact CD2-CD2 3.8Å; L260-L313 HydrophobicContact CD2-CG 4.5Å; I262-L313 HydrophobicContact CG2-CD1 4.09Å; I262-L313 HydrophobicContact CG2-CD2 4.3Å; D266-L313 HydrophobicContact CB-CD1 3.96Å; W284-L313 HydrophobicContact CD2-CB 3.62Å; W284-L313 HydrophobicContact CE3-CB 3.92Å; W284-L313 HydrophobicContact CG-CB 3.87Å; W284-L313 HydrophobicContact CH2-CB 4.49Å; W284-L313 HydrophobicContact CZ2-CB 4.26Å; W284-L313 HydrophobicContact CZ2-CD1 4.25Å; W284-L313 HydrophobicContact CZ2-CD2 4.4Å; W284-L313 HydrophobicContact CZ3-CB 4.33Å; L313-L331 HydrophobicContact CD2-CD1 4.41Å; L313-L331 HydrophobicContact CD2-CD2 4.09Å; L313-L379 WeakPolarHBondContact O-CA 3.5Å; L313-V380 HydrophobicContact CB-CG1 4Å; L313-V380 HydrophobicContact CD2-CG1 3.81Å; L313-V380 HydrophobicContact CG-CG1 4.01Å; L313-V380 PolarHBondContact O-N 3.5Å
314	P	98.7	Very high	96	Very high	33 Å²	33	46 Å²	46	21%	0.214	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	147.2	178.1	31.6	-34	0	0	0	112.9	W378 L379	P314-W378 WeakPolarHBondContact CA-O 3.2Å; P314-L379 HydrophobicContact CB-CD2 3.99Å
315	L	98.6	Very high	97.1	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	152.2	174.8	71.3	167.3	0	0	0	112.1	K319 K320 L323 F346 G376 D377 W378 V380	L315-K319 HydrophobicContact CB-CB 4.13Å; L315-K319 HydrophobicContact CB-CD 4.43Å; L315-K319 HydrophobicContact CD1-CB 4.1Å; L315-K320 HydrophobicContact CD1-CB 3.97Å; L315-K320 HydrophobicContact CG-CB 4.29Å; L315-L323 HydrophobicContact CD1-CD1 4.43Å; L315-F346 HydrophobicContact CD1-CD1 4.03Å; L315-F346 HydrophobicContact CD1-CE1 3.63Å; L315-F346 HydrophobicContact CD2-CD1 4.26Å; L315-F346 HydrophobicContact CD2-CE1 4.49Å; L315-G376 CarbonylContact O-C 3.49Å; L315-G376 VanDerWaalsContact O-CA 3.24Å; L315-G376 WeakPolarHBondContact O-CA 3.48Å; L315-D377 PolarHBondContact O-N 3.47Å; L315-W378 HydrophobicContact CD2-CB 3.71Å; L315-W378 WeakPolarHBondContact CD2-O 3.47Å; L315-W378 HydrophobicContact CG-CB 4.1Å; L315-W378 PolarHBondContact N-O 3.08Å; L315-W378 PolarHBondContact O-N 3.45Å; L315-W378 VanDerWaalsContact O-N 3.14Å; L315-V380 HydrophobicContact CD2-CB 3.91Å; L315-V380 HydrophobicContact CD2-CG1 4.07Å
316	S	98.6	Very high	97.8	Very high	42 Å²	42	43.9 Å²	43.9	29%	0.294	22%	0.218	S	C	.	.			trans	-69.9	159.9	176	60.3	0	0	0	0	111.4	E318 K319 K320	S316-E318 VanDerWaalsContact C-N 3.31Å; S316-E318 PolarHBondContact O-N 2.83Å; S316-K319 PolarHBondContact O-N 3.15Å; S316-K319 VanDerWaalsContact O-N 3.11Å; S316-K319 WeakPolarHBondContact OG-CG 3.45Å; S316-K319 PolarHBondContact OG-N 3.17Å; S316-K320 PolarHBondContact O-N 2.79Å
317	T	98.6	Very high	98.1	Very high	53 Å²	53	48.1 Å²	48.1	33%	0.325	25%	0.248	S	C	.	.	H	α-helix	trans	-53.7	-46.2	174.5	-56.8	0	0	0	0	112.1	K319 K320 E321 W378	T317-K319 VanDerWaalsContact C-N 3.33Å; T317-K319 PolarHBondContact O-N 3.03Å; T317-K320 WeakPolarHBondContact O-CB 3.33Å; T317-K320 PolarHBondContact O-N 2.93Å; T317-K320 VanDerWaalsContact O-N 3.09Å; T317-E321 HydrophobicContact CG2-CG 4.41Å; T317-E321 WeakPolarHBondContact CG2-OE1 3.33Å; T317-E321 WeakPolarHBondContact O-CG 3.43Å; T317-E321 PolarHBondContact O-N 3.01Å; T317-W378 PolarHBondContact OG1-NE1 2.98Å
318	E	98.4	Very high	98.2	Very high	152 Å²	152	49.4 Å²	49.4	71%	0.71	26%	0.256	S	S	*	.	H	α-helix	trans	-56.7	-44	176.1	-177.1	-169.6	177.4	0	0	112.5	S316 R322	S316-E318 VanDerWaalsContact C-N 3.31Å; S316-E318 PolarHBondContact O-N 2.83Å; E318-R322 WeakPolarHBondContact O-CB 3.18Å; E318-R322 PolarHBondContact O-N 3.18Å; E318-R322 VanDerWaalsContact O-N 3.1Å
319	K	98.5	Very high	98.2	Very high	78 Å²	78	49.3 Å²	49.3	34%	0.339	26%	0.256	S	S	.	.	H	α-helix	trans	-67	-38.6	177.3	-74	174.2	176.3	-176.6	0	111.4	L260 L315 S316 T317 L323	L260-K319 HydrophobicContact CD1-CB 4.5Å; L260-K319 HydrophobicContact CD1-CD 3.82Å; L260-K319 HydrophobicContact CD1-CG 4.45Å; L315-K319 HydrophobicContact CB-CB 4.13Å; L315-K319 HydrophobicContact CB-CD 4.43Å; L315-K319 HydrophobicContact CD1-CB 4.1Å; S316-K319 PolarHBondContact O-N 3.15Å; S316-K319 VanDerWaalsContact O-N 3.11Å; S316-K319 WeakPolarHBondContact OG-CG 3.45Å; S316-K319 PolarHBondContact OG-N 3.17Å; T317-K319 VanDerWaalsContact C-N 3.33Å; T317-K319 PolarHBondContact O-N 3.03Å; K319-L323 WeakPolarHBondContact O-CB 3.31Å; K319-L323 WeakPolarHBondContact O-CD1 3.19Å; K319-L323 WeakPolarHBondContact O-CG 3.38Å; K319-L323 PolarHBondContact O-N 2.95Å
320	K	98.4	Very high	98.2	Very high	34 Å²	34	49.3 Å²	49.3	15%	0.148	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-50.8	175.9	178.9	-88.3	-177	-170.8	0	110.7	L315 S316 T317 R322 L323 E324 F346 W378	L315-K320 HydrophobicContact CD1-CB 3.97Å; L315-K320 HydrophobicContact CG-CB 4.29Å; S316-K320 PolarHBondContact O-N 2.79Å; T317-K320 WeakPolarHBondContact O-CB 3.33Å; T317-K320 PolarHBondContact O-N 2.93Å; T317-K320 VanDerWaalsContact O-N 3.09Å; K320-R322 VanDerWaalsContact C-N 3.27Å; K320-R322 PolarHBondContact O-N 2.98Å; K320-L323 CarbonylContact O-C 3.15Å; K320-L323 PolarHBondContact O-N 3.41Å; K320-E324 IonicContact NZ-OE2 2.67Å; K320-E324 PolarHBondContact NZ-OE2 3.1Å; K320-E324 WeakPolarHBondContact O-CB 3.34Å; K320-E324 PolarHBondContact O-N 3.3Å; K320-F346 HydrophobicContact CB-CD1 4.34Å; K320-F346 HydrophobicContact CG-CB 4.01Å; K320-F346 HydrophobicContact CG-CD1 3.73Å; K320-F346 HydrophobicContact CG-CE1 4.41Å; K320-F346 HydrophobicContact CG-CG 3.94Å; K320-W378 HydrophobicContact CB-CB 4.28Å; K320-W378 HydrophobicContact CB-CD2 4.38Å; K320-W378 HydrophobicContact CB-CG 3.97Å; K320-W378 HydrophobicContact CD-CD2 4.2Å; K320-W378 HydrophobicContact CD-CE3 4.45Å; K320-W378 HydrophobicContact CD-CZ2 4.4Å; K320-W378 HydrophobicContact CG-CB 4.38Å; K320-W378 HydrophobicContact CG-CD2 3.85Å; K320-W378 HydrophobicContact CG-CE3 4.14Å; K320-W378 HydrophobicContact CG-CG 3.94Å
321	E	98.3	Very high	98.2	Very high	121 Å²	121	49.2 Å²	49.2	57%	0.565	26%	0.255	S	S	*	.	H	α-helix	trans	-59	-39.1	-179.7	-71.6	170.9	172.7	0	0	111.8	T317 L323	T317-E321 HydrophobicContact CG2-CG 4.41Å; T317-E321 WeakPolarHBondContact CG2-OE1 3.33Å; T317-E321 WeakPolarHBondContact O-CG 3.43Å; T317-E321 PolarHBondContact O-N 3.01Å; E321-L323 VanDerWaalsContact C-N 3.28Å; E321-L323 PolarHBondContact O-N 3.27Å
322	R	98.2	Very high	98.2	Very high	135 Å²	135	49.6 Å²	49.6	51%	0.509	26%	0.259	S	S	.	.	H	α-helix	trans	-66.4	-27.7	175.4	-173.4	178.1	61.7	86.6	3	113.7	T259 E318 K320	T259-R322 PolarHBondContact O-NH1 3.49Å; T259-R322 VanDerWaalsContact O-NH1 3.08Å; T259-R322 PolarHBondContact O-NH2 3.41Å; E318-R322 WeakPolarHBondContact O-CB 3.18Å; E318-R322 PolarHBondContact O-N 3.18Å; E318-R322 VanDerWaalsContact O-N 3.1Å; K320-R322 VanDerWaalsContact C-N 3.27Å; K320-R322 PolarHBondContact O-N 2.98Å
323	L	98.4	Very high	98.2	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-110	-9.9	-168.8	-64.5	173	0	0	0	114	P258 L260 L315 K319 K320 E321 N325 A326 I329 F346	P258-L323 HydrophobicContact CB-CD2 3.65Å; P258-L323 HydrophobicContact CG-CD2 4.06Å; L260-L323 HydrophobicContact CB-CD1 4Å; L260-L323 HydrophobicContact CD1-CD1 4.11Å; L260-L323 HydrophobicContact CD2-CD1 4.29Å; L260-L323 HydrophobicContact CG-CD1 4.36Å; L315-L323 HydrophobicContact CD1-CD1 4.43Å; K319-L323 WeakPolarHBondContact O-CB 3.31Å; K319-L323 WeakPolarHBondContact O-CD1 3.19Å; K319-L323 WeakPolarHBondContact O-CG 3.38Å; K319-L323 PolarHBondContact O-N 2.95Å; K320-L323 CarbonylContact O-C 3.15Å; K320-L323 PolarHBondContact O-N 3.41Å; E321-L323 VanDerWaalsContact C-N 3.28Å; E321-L323 PolarHBondContact O-N 3.27Å; L323-N325 PolarHBondContact O-N 2.85Å; L323-N325 VanDerWaalsContact O-N 3.1Å; L323-A326 VanDerWaalsContact O-CB 3.3Å; L323-A326 WeakPolarHBondContact O-CB 3.48Å; L323-A326 PolarHBondContact O-N 3.46Å; L323-I329 HydrophobicContact CB-CD1 3.95Å; L323-I329 HydrophobicContact CD1-CD1 4.28Å; L323-I329 HydrophobicContact CD1-CG2 4.3Å; L323-I329 HydrophobicContact CD2-CD1 4.42Å; L323-I329 HydrophobicContact CD2-CG1 4.32Å; L323-I329 HydrophobicContact CD2-CG2 4.2Å; L323-I329 HydrophobicContact CG-CD1 4.44Å; L323-F346 HydrophobicContact CB-CE1 4.37Å; L323-F346 HydrophobicContact CB-CZ 3.84Å
324	E	96.8	Very high	98	Very high	87 Å²	87	59.4 Å²	59.4	41%	0.407	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.1	-167.7	68.5	-176.7	179.2	0	0	115.2	K320	K320-E324 IonicContact NZ-OE2 2.67Å; K320-E324 PolarHBondContact NZ-OE2 3.1Å; K320-E324 WeakPolarHBondContact O-CB 3.34Å; K320-E324 PolarHBondContact O-N 3.3Å
325	N	97	Very high	97.8	Very high	150 Å²	150	61.7 Å²	61.7	80%	0.802	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	1.7	-179.5	-63.5	-54.2	0	0	0	113.2	L323	L323-N325 PolarHBondContact O-N 2.85Å; L323-N325 VanDerWaalsContact O-N 3.1Å
326	A	97.5	Very high	97.7	Very high	21 Å²	21	68 Å²	68	17%	0.174	36%	0.36	C	S	.	.			trans	-79.7	131.1	179.3	0	0	0	0	0	110.6	P258 L323 I329 P344	P258-A326 HydrophobicContact CG-CB 3.58Å; L323-A326 VanDerWaalsContact O-CB 3.3Å; L323-A326 WeakPolarHBondContact O-CB 3.48Å; L323-A326 PolarHBondContact O-N 3.46Å; A326-I329 HydrophobicContact CB-CG1 3.9Å; A326-P344 WeakPolarHBondContact O-CD 3.48Å; A326-P344 WeakPolarHBondContact O-CG 3.45Å
327	S	97.1	Very high	97.6	Very high	89 Å²	89	67.9 Å²	67.9	62%	0.622	36%	0.355	S	S	*	.	S	Bend	trans	-77.4	-25.2	169.7	53.8	0	0	0	0	112.8	D343 P344	S327-D343 PolarHBondContact O-N 3.34Å; S327-P344 VanDerWaalsContact O-CD 3.27Å; S327-P344 WeakPolarHBondContact O-CD 3.39Å
328	S	98.1	Very high	97.6	Very high	26 Å²	26	66.2 Å²	66.2	18%	0.182	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	142.5	177.4	-62.8	0	0	0	0	110.7	L341 N342	S328-L341 CarbonylContact C-O 3.52Å; S328-L341 WeakPolarHBondContact CA-O 3.21Å; S328-N342 PolarHBondContact OG-OD1 3.13Å
329	I	98.6	Very high	97.6	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.8	-177.6	-59.7	167.6	0	0	0	108.8	P258 L260 L323 A326 L331 V340 L341 P344 F346	P258-I329 WeakPolarHBondContact O-CA 3.49Å; P258-I329 WeakPolarHBondContact O-CG2 3.42Å; L260-I329 HydrophobicContact CB-CG2 3.72Å; L323-I329 HydrophobicContact CB-CD1 3.95Å; L323-I329 HydrophobicContact CD1-CD1 4.28Å; L323-I329 HydrophobicContact CD1-CG2 4.3Å; L323-I329 HydrophobicContact CD2-CD1 4.42Å; L323-I329 HydrophobicContact CD2-CG1 4.32Å; L323-I329 HydrophobicContact CD2-CG2 4.2Å; L323-I329 HydrophobicContact CG-CD1 4.44Å; A326-I329 HydrophobicContact CB-CG1 3.9Å; I329-L331 HydrophobicContact CG2-CD2 4.3Å; I329-V340 WeakPolarHBondContact O-CA 3.5Å; I329-L341 HydrophobicContact CB-CB 4.39Å; I329-L341 PolarHBondContact N-O 2.97Å; I329-L341 PolarHBondContact O-N 3.39Å; I329-P344 HydrophobicContact CD1-CB 3.83Å; I329-P344 HydrophobicContact CD1-CG 3.93Å; I329-P344 HydrophobicContact CG1-CG 4.45Å; I329-F346 HydrophobicContact CD1-CZ 3.83Å
330	A	98.4	Very high	97.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127.3	172.7	0	0	0	0	0	110	L257 P258 T259 L260 I337	L257-A330 HydrophobicContact CB-CB 4.03Å; L257-A330 HydrophobicContact CD1-CB 4.45Å; P258-A330 PolarHBondContact O-N 2.74Å; T259-A330 CarbonylContact C-O 3.4Å; T259-A330 WeakPolarHBondContact CA-O 3.32Å; L260-A330 PolarHBondContact N-O 2.99Å; A330-I337 HydrophobicContact CB-CD1 4.01Å; A330-I337 HydrophobicContact CB-CG1 4.32Å; A330-I337 HydrophobicContact CB-CG2 4.04Å
331	L	98.6	Very high	97.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.3	174.9	-56.8	-174	0	0	0	109.3	L260 I262 L313 I329 I337 V338 A339 L341 L384	L260-L331 HydrophobicContact CB-CD2 4.03Å; L260-L331 HydrophobicContact CD2-CD2 4.05Å; L260-L331 HydrophobicContact CG-CD2 4.34Å; L260-L331 WeakPolarHBondContact O-CA 3.22Å; I262-L331 HydrophobicContact CG2-CB 4.26Å; I262-L331 HydrophobicContact CG2-CD2 4.23Å; L313-L331 HydrophobicContact CD2-CD1 4.41Å; L313-L331 HydrophobicContact CD2-CD2 4.09Å; I329-L331 HydrophobicContact CG2-CD2 4.3Å; L331-I337 WeakPolarHBondContact O-CA 3.36Å; L331-V338 WeakPolarHBondContact O-CG2 3.2Å; L331-V338 PolarHBondContact O-N 2.74Å; L331-A339 HydrophobicContact CB-CB 4.34Å; L331-A339 HydrophobicContact CD1-CB 4.33Å; L331-A339 PolarHBondContact N-O 3.19Å; L331-A339 PolarHBondContact O-N 3.11Å; L331-L341 HydrophobicContact CD1-CB 4.42Å; L331-L341 HydrophobicContact CD2-CB 4.42Å; L331-L341 HydrophobicContact CG-CB 4.39Å; L331-L384 HydrophobicContact CD1-CD2 3.76Å
332	A	98.2	Very high	97.6	Very high	9 Å²	9	48.9 Å²	48.9	7%	0.074	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.7	-177.5	0	0	0	0	0	112.3	T259 L260 A261 I262 R336 I337	T259-A332 HydrophobicContact CG2-CB 3.55Å; L260-A332 PolarHBondContact O-N 3.27Å; A261-A332 CarbonylContact C-O 3.58Å; A261-A332 VanDerWaalsContact CA-O 3.3Å; A261-A332 WeakPolarHBondContact CA-O 3.26Å; I262-A332 WeakPolarHBondContact CG1-O 3.32Å; I262-A332 PolarHBondContact N-O 3.17Å; A332-R336 CarbonylContact C-O 3.52Å; A332-R336 WeakPolarHBondContact CA-O 3.39Å; A332-I337 HydrophobicContact CB-CG1 4.42Å
333	Y	98.2	Very high	97.6	Very high	64 Å²	64	48.2 Å²	48.2	25%	0.251	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.1	170.2	175.5	-99.8	0	0	0	108.8	R264 L267 G335 R336	R264-Y333 HydrophobicContact CB-CE2 3.93Å; R264-Y333 HydrophobicContact CG-CE2 4.48Å; L267-Y333 HydrophobicContact CB-CD2 4.19Å; L267-Y333 HydrophobicContact CB-CG 4.41Å; L267-Y333 HydrophobicContact CD1-CG 4.49Å; L267-Y333 HydrophobicContact CD2-CD1 3.54Å; L267-Y333 HydrophobicContact CD2-CD2 4.11Å; L267-Y333 HydrophobicContact CD2-CE1 3.71Å; L267-Y333 HydrophobicContact CD2-CE2 4.28Å; L267-Y333 HydrophobicContact CD2-CG 3.73Å; L267-Y333 HydrophobicContact CG-CG 4.44Å; Y333-G335 VanDerWaalsContact C-N 3.27Å; Y333-G335 PolarHBondContact O-N 3.02Å; Y333-R336 PolarHBondContact N-O 3.17Å; Y333-R336 WeakPolarHBondContact O-CB 3.44Å; Y333-R336 PolarHBondContact O-N 3.13Å
334	D	95.8	Very high	97.6	Very high	149 Å²	149	49.4 Å²	49.4	80%	0.797	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	45.8	179.7	-160.7	26.1	0	0	0	113	R336	D334-R336 PolarHBondContact O-N 2.67Å; D334-R336 VanDerWaalsContact O-N 3.12Å
335	G	94.2	Very high	97.7	Very high	81 Å²	81	48.6 Å²	48.6	84%	0.835	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	-9.6	-178.2	0	0	0	0	0	115.5	Y333	Y333-G335 VanDerWaalsContact C-N 3.27Å; Y333-G335 PolarHBondContact O-N 3.02Å
336	R	96	Very high	97.8	Very high	137 Å²	137	43.2 Å²	43.2	52%	0.517	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.5	180	-172.3	178.4	-170.8	-153.4	-3.3	111.5	A332 Y333 D334 V338 E388	A332-R336 CarbonylContact C-O 3.52Å; A332-R336 WeakPolarHBondContact CA-O 3.39Å; Y333-R336 PolarHBondContact N-O 3.17Å; Y333-R336 WeakPolarHBondContact O-CB 3.44Å; Y333-R336 PolarHBondContact O-N 3.13Å; D334-R336 PolarHBondContact O-N 2.67Å; D334-R336 VanDerWaalsContact O-N 3.12Å; R336-V338 PolarHBondContact O-N 3.18Å; R336-E388 IonicContact CZ-OE1 3.05Å; R336-E388 IonicContact CZ-OE2 3.78Å; R336-E388 IonicContact NH1-OE1 3.2Å; R336-E388 PolarHBondContact NH1-OE1 2.75Å; R336-E388 IonicContact NH2-OE1 2.66Å; R336-E388 PolarHBondContact NH2-OE1 3.06Å; R336-E388 IonicContact NH2-OE2 2.87Å; R336-E388 PolarHBondContact NH2-OE2 3.43Å
337	I	97.5	Very high	97.9	Very high	38 Å²	38	42.6 Å²	42.6	20%	0.195	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	125.8	170.7	-58	173.7	0	0	0	109	L254 A330 L331 A332 L387	L254-I337 HydrophobicContact CB-CD1 3.95Å; L254-I337 HydrophobicContact CD1-CD1 4.48Å; L254-I337 HydrophobicContact CD1-CG2 4.27Å; L254-I337 HydrophobicContact CD2-CG2 4.14Å; A330-I337 HydrophobicContact CB-CD1 4.01Å; A330-I337 HydrophobicContact CB-CG1 4.32Å; A330-I337 HydrophobicContact CB-CG2 4.04Å; L331-I337 WeakPolarHBondContact O-CA 3.36Å; A332-I337 HydrophobicContact CB-CG1 4.42Å; I337-L387 HydrophobicContact CB-CD1 4.43Å; I337-L387 HydrophobicContact CG2-CD1 3.87Å
338	V	97.9	Very high	97.9	Very high	19 Å²	19	40.1 Å²	40.1	12%	0.115	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-25.4	-176.4	-68.2	0	0	0	0	113	I262 L267 L270 L331 R336 L387	I262-V338 HydrophobicContact CD1-CG2 4.02Å; L267-V338 HydrophobicContact CD1-CG1 4.41Å; L267-V338 HydrophobicContact CD1-CG2 4.15Å; L270-V338 HydrophobicContact CD2-CB 4.39Å; L270-V338 HydrophobicContact CD2-CG2 3.64Å; L331-V338 WeakPolarHBondContact O-CG2 3.2Å; L331-V338 PolarHBondContact O-N 2.74Å; R336-V338 PolarHBondContact O-N 3.18Å; V338-L387 PolarHBondContact O-N 3.49Å
339	A	98.5	Very high	98	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	166.3	179.7	0	0	0	0	0	111.5	L270 L331 L384 K385 V386	L270-A339 HydrophobicContact CD1-CB 4.15Å; L270-A339 HydrophobicContact CD2-CB 3.96Å; L331-A339 HydrophobicContact CB-CB 4.34Å; L331-A339 HydrophobicContact CD1-CB 4.33Å; L331-A339 PolarHBondContact N-O 3.19Å; L331-A339 PolarHBondContact O-N 3.11Å; A339-L384 HydrophobicContact CB-CD2 4.46Å; A339-K385 CarbonylContact C-O 3.54Å; A339-K385 VanDerWaalsContact CA-O 3.25Å; A339-K385 WeakPolarHBondContact CA-O 3.27Å; A339-V386 HydrophobicContact CB-CB 4.46Å; A339-V386 HydrophobicContact CB-CG2 4.11Å
340	V	98.6	Very high	98	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.6	168.4	178.6	0	0	0	0	108.6	L250 L254 L257 I329 L384 K385	L250-V340 HydrophobicContact CD1-CB 4.41Å; L250-V340 HydrophobicContact CD1-CG2 3.98Å; L250-V340 HydrophobicContact CD2-CB 4.34Å; L250-V340 HydrophobicContact CD2-CG2 3.93Å; L250-V340 HydrophobicContact CG-CG2 4.05Å; L254-V340 HydrophobicContact CD2-CG2 3.48Å; L254-V340 VanDerWaalsContact CD2-CG2 3.48Å; L257-V340 HydrophobicContact CD1-CG1 3.78Å; L257-V340 HydrophobicContact CD1-CG2 3.91Å; I329-V340 WeakPolarHBondContact O-CA 3.5Å; V340-L384 WeakPolarHBondContact O-CA 3.29Å; V340-K385 PolarHBondContact N-O 2.96Å; V340-K385 PolarHBondContact O-N 3.22Å
341	L	98.7	Very high	98	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	122	170.9	176.1	62.4	0	0	0	108.9	S328 I329 L331 P344 V380 G382 S383 L384	S328-L341 CarbonylContact C-O 3.52Å; S328-L341 WeakPolarHBondContact CA-O 3.21Å; I329-L341 HydrophobicContact CB-CB 4.39Å; I329-L341 PolarHBondContact N-O 2.97Å; I329-L341 PolarHBondContact O-N 3.39Å; L331-L341 HydrophobicContact CD1-CB 4.42Å; L331-L341 HydrophobicContact CD2-CB 4.42Å; L331-L341 HydrophobicContact CG-CB 4.39Å; L341-P344 HydrophobicContact CD2-CB 4.3Å; L341-V380 HydrophobicContact CD2-CB 4.47Å; L341-V380 HydrophobicContact CD2-CG1 3.96Å; L341-V380 HydrophobicContact CD2-CG2 3.7Å; L341-G382 VanDerWaalsContact CD1-C 3.41Å; L341-S383 CarbonylContact C-O 3.25Å; L341-S383 WeakPolarHBondContact CA-O 3.37Å; L341-L384 HydrophobicContact CB-CD2 4.11Å; L341-L384 HydrophobicContact CD1-CD2 4.02Å
342	N	98.3	Very high	98	Very high	20 Å²	20	55.4 Å²	55.4	11%	0.107	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	150.9	177.5	-54.6	-61.9	0	0	0	110.6	S328 G382 S383	S328-N342 PolarHBondContact OG-OD1 3.13Å; N342-G382 WeakPolarHBondContact O-CA 3.37Å; N342-S383 PolarHBondContact N-O 2.96Å; N342-S383 PolarHBondContact O-N 3.34Å
343	D	98	Very high	98	Very high	122 Å²	122	58.3 Å²	58.3	65%	0.652	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.5	56	-179.8	-49.2	-54.7	0	0	0	111.6	S327 E345	S327-D343 PolarHBondContact O-N 3.34Å; D343-E345 PolarHBondContact O-N 3.28Å
344	P	98.6	Very high	98	Very high	25 Å²	25	56.3 Å²	56.3	16%	0.162	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	130.2	-174	28.3	-34.6	0	0	0	111.4	A326 S327 I329 L341 F346 V380 G381	A326-P344 WeakPolarHBondContact O-CD 3.48Å; A326-P344 WeakPolarHBondContact O-CG 3.45Å; S327-P344 VanDerWaalsContact O-CD 3.27Å; S327-P344 WeakPolarHBondContact O-CD 3.39Å; I329-P344 HydrophobicContact CD1-CB 3.83Å; I329-P344 HydrophobicContact CD1-CG 3.93Å; I329-P344 HydrophobicContact CG1-CG 4.45Å; L341-P344 HydrophobicContact CD2-CB 4.3Å; P344-F346 HydrophobicContact CB-CE2 3.83Å; P344-F346 HydrophobicContact CB-CZ 4.02Å; P344-F346 HydrophobicContact CG-CE2 4.14Å; P344-V380 HydrophobicContact CB-CG2 3.77Å; P344-G381 VanDerWaalsContact CA-O 3.31Å; P344-G381 WeakPolarHBondContact CA-O 3.35Å
345	E	98.7	Very high	98.1	Very high	71 Å²	71	49.2 Å²	49.2	33%	0.332	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118.3	173.4	-178	-168.8	-159.4	0	0	109	T286 E287 D343 Y347 V380 G381	T286-E345 WeakPolarHBondContact CA-OE2 3.27Å; T286-E345 WeakPolarHBondContact CB-OE2 3.45Å; T286-E345 WeakPolarHBondContact CG2-OE2 3.15Å; E287-E345 PolarHBondContact N-OE2 3.45Å; D343-E345 PolarHBondContact O-N 3.28Å; E345-Y347 HydrophobicContact CG-CD1 4.41Å; E345-V380 CarbonylContact O-C 3.53Å; E345-V380 WeakPolarHBondContact O-CA 3.38Å; E345-G381 PolarHBondContact N-O 3.46Å; E345-G381 PolarHBondContact O-N 3.45Å
346	F	98.8	Very high	98.3	Very high	36 Å²	36	48 Å²	48	16%	0.158	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.7	179.2	-59.7	-86.7	0	0	0	111.1	L315 K320 L323 I329 P344 W378 L379 V380	L315-F346 HydrophobicContact CD1-CD1 4.03Å; L315-F346 HydrophobicContact CD1-CE1 3.63Å; L315-F346 HydrophobicContact CD2-CD1 4.26Å; L315-F346 HydrophobicContact CD2-CE1 4.49Å; K320-F346 HydrophobicContact CB-CD1 4.34Å; K320-F346 HydrophobicContact CG-CB 4.01Å; K320-F346 HydrophobicContact CG-CD1 3.73Å; K320-F346 HydrophobicContact CG-CE1 4.41Å; K320-F346 HydrophobicContact CG-CG 3.94Å; L323-F346 HydrophobicContact CB-CE1 4.37Å; L323-F346 HydrophobicContact CB-CZ 3.84Å; I329-F346 HydrophobicContact CD1-CZ 3.83Å; P344-F346 HydrophobicContact CB-CE2 3.83Å; P344-F346 HydrophobicContact CB-CZ 4.02Å; P344-F346 HydrophobicContact CG-CE2 4.14Å; F346-W378 HydrophobicContact CB-CE3 4.29Å; F346-L379 WeakPolarHBondContact CA-O 3.43Å; F346-V380 HydrophobicContact CD1-CB 3.77Å; F346-V380 HydrophobicContact CD1-CG2 3.68Å; F346-V380 HydrophobicContact CE1-CB 3.71Å; F346-V380 HydrophobicContact CE1-CG2 3.38Å; F346-V380 HydrophobicContact CE2-CG2 4.34Å; F346-V380 HydrophobicContact CG-CG2 4.29Å; F346-V380 HydrophobicContact CZ-CG2 3.77Å
347	Y	98.8	Very high	98.5	Very high	9 Å²	9	47.2 Å²	47.2	4%	0.035	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	161.1	178.7	57.4	-83	0	0	0	111.7	M285 E287 Y290 E345 H349 W378 L379	M285-Y347 PolarHBondContact O-OH 3.34Å; E287-Y347 HydrophobicContact CB-CD1 3.81Å; E287-Y347 HydrophobicContact CB-CD2 3.99Å; E287-Y347 HydrophobicContact CB-CE1 4.22Å; E287-Y347 HydrophobicContact CB-CE2 4.36Å; E287-Y347 HydrophobicContact CB-CG 3.7Å; E287-Y347 HydrophobicContact CG-CD2 3.9Å; E287-Y347 HydrophobicContact CG-CE2 4.45Å; E287-Y347 HydrophobicContact CG-CG 3.97Å; Y290-Y347 WeakPolarHBondContact CB-OH 3.39Å; Y290-Y347 HydrophobicContact CD1-CD2 4.42Å; Y290-Y347 AromaticContact CD1-CE2 3.7Å; Y290-Y347 HydrophobicContact CD1-CE2 3.7Å; Y290-Y347 HydrophobicContact CE1-CE2 4.35Å; Y290-Y347 AromaticContact CG-CE2 3.86Å; Y290-Y347 HydrophobicContact CG-CE2 3.86Å; E345-Y347 HydrophobicContact CG-CD1 4.41Å; Y347-H349 PolarHBondContact O-N 3.36Å; Y347-W378 WeakPolarHBondContact O-CA 3.21Å; Y347-L379 HydrophobicContact CD2-CB 4.14Å; Y347-L379 HydrophobicContact CD2-CD1 4.37Å; Y347-L379 HydrophobicContact CE1-CB 4.07Å; Y347-L379 HydrophobicContact CE2-CB 3.66Å; Y347-L379 HydrophobicContact CE2-CD1 3.54Å; Y347-L379 HydrophobicContact CE2-CG 4.17Å; Y347-L379 PolarHBondContact N-O 3.25Å; Y347-L379 PolarHBondContact O-N 3.02Å
348	A	98.6	Very high	98.5	Very high	36 Å²	36	45.6 Å²	45.6	30%	0.298	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	130.3	-172.3	0	0	0	0	0	111.8	R350	A348-R350 PolarHBondContact O-N 2.71Å; A348-R350 VanDerWaalsContact O-N 3.1Å
349	H	98.6	Very high	98.5	Very high	9 Å²	9	44.8 Å²	44.8	4%	0.042	21%	0.213	C	C	.	.			trans	-82.7	85.9	172.7	-163.8	-171.4	0	0	0	109.3	Y347 K351 R354 S375 G376 D377 L379	Y347-H349 PolarHBondContact O-N 3.36Å; H349-K351 HydrophobicContact CB-CG 4.3Å; H349-K351 WeakPolarHBondContact O-CG 3.25Å; H349-K351 PolarHBondContact O-N 3.25Å; H349-R354 PolarHBondContact CE1-NH1 3.21Å; H349-R354 WeakPolarHBondContact NE2-CD 3.18Å; H349-R354 PolarHBondContact NE2-NH1 3.28Å; H349-S375 PolarHBondContact CE1-OG 2.95Å; H349-S375 VanDerWaalsContact CE1-OG 3.26Å; H349-G376 PolarHBondContact ND1-O 3.4Å; H349-D377 VanDerWaalsContact CB-C 3.46Å; H349-D377 WeakPolarHBondContact CB-O 3.2Å; H349-D377 PolarHBondContact N-O 3.19Å; H349-L379 HydrophobicContact CB-CD1 4.44Å; H349-L379 HydrophobicContact CB-CD2 4.19Å; H349-L379 HydrophobicContact CB-CG 3.81Å
350	R	98.4	Very high	98.5	Very high	170 Å²	170	47.9 Å²	47.9	64%	0.642	25%	0.245	S	C	*	.			trans	-70.1	76.7	173.4	-61.6	-61.9	-176.3	-176.2	-0.9	110	A348 E352 E353 R354	A348-R350 PolarHBondContact O-N 2.71Å; A348-R350 VanDerWaalsContact O-N 3.1Å; R350-E352 PolarHBondContact O-N 2.89Å; R350-E353 HydrophobicContact CB-CB 4.05Å; R350-E353 WeakPolarHBondContact O-CB 3.42Å; R350-E353 PolarHBondContact O-N 3.43Å; R350-R354 PolarHBondContact O-N 2.99Å
351	K	98.6	Very high	98.4	Very high	37 Å²	37	49.1 Å²	49.1	16%	0.161	25%	0.252	C	S	.	.	H	α-helix	trans	-57.8	-44.5	-167.3	-71.9	178.4	-82.3	-174.4	0	113.4	H349 R354 C355 I372 L373 S375 D377	H349-K351 HydrophobicContact CB-CG 4.3Å; H349-K351 WeakPolarHBondContact O-CG 3.25Å; H349-K351 PolarHBondContact O-N 3.25Å; K351-R354 PolarHBondContact O-N 3.34Å; K351-C355 WeakPolarHBondContact O-CB 3.48Å; K351-C355 PolarHBondContact O-N 3.14Å; K351-C355 PolarHBondContact O-SG 2.95Å; K351-I372 HydrophobicContact CB-CG2 4.15Å; K351-I372 WeakPolarHBondContact CD-O 3.39Å; K351-I372 HydrophobicContact CG-CG2 4.1Å; K351-L373 HydrophobicContact CB-CD2 4.05Å; K351-L373 PolarHBondContact NZ-O 2.94Å; K351-L373 VanDerWaalsContact NZ-O 3.11Å; K351-S375 PolarHBondContact NZ-O 3.14Å; K351-D377 WeakPolarHBondContact CE-OD1 3.29Å; K351-D377 IonicContact NZ-OD1 3.03Å; K351-D377 PolarHBondContact NZ-OD1 3.08Å
352	E	98.4	Very high	98.4	Very high	131 Å²	131	51.5 Å²	51.5	61%	0.612	27%	0.268	S	S	*	.	H	α-helix	trans	-64.1	-44.5	177.8	-171.9	179.7	162.2	0	0	111.9	R350 R354 C355 C356 C362	R350-E352 PolarHBondContact O-N 2.89Å; E352-R354 PolarHBondContact O-N 3.45Å; E352-C355 PolarHBondContact O-N 2.99Å; E352-C356 WeakPolarHBondContact O-CB 3.46Å; E352-C356 PolarHBondContact O-N 2.91Å; E352-C356 PolarHBondContact O-SG 3.12Å; E352-C362 HydrophobicContact CG-CB 4.3Å
353	E	98.5	Very high	98.4	Very high	70 Å²	70	53.2 Å²	53.2	33%	0.327	28%	0.276	S	S	.	.	H	α-helix	trans	-59.8	-47.4	174.7	175.9	175.5	-151.7	0	0	111.3	L294 H295 R350 C355 C356 R357	L294-E353 HydrophobicContact CD2-CG 4.14Å; H295-E353 IonicContact CE1-OE1 2.59Å; H295-E353 IonicContact NE2-OE1 3.08Å; R350-E353 HydrophobicContact CB-CB 4.05Å; R350-E353 WeakPolarHBondContact O-CB 3.42Å; R350-E353 PolarHBondContact O-N 3.43Å; E353-C355 VanDerWaalsContact C-N 3.32Å; E353-C355 PolarHBondContact O-N 3.39Å; E353-C356 PolarHBondContact O-N 2.95Å; E353-R357 HydrophobicContact CG-CG 4.34Å; E353-R357 WeakPolarHBondContact O-CB 3.42Å; E353-R357 WeakPolarHBondContact O-CG 3.36Å; E353-R357 PolarHBondContact O-N 2.94Å; E353-R357 IonicContact OE1-CZ 2.74Å; E353-R357 IonicContact OE1-NE 2.86Å; E353-R357 PolarHBondContact OE1-NE 3.25Å; E353-R357 IonicContact OE1-NH2 3.18Å
354	R	98.5	Very high	98.3	Very high	22 Å²	22	51.7 Å²	51.7	8%	0.083	27%	0.271	C	S	.	.	H	α-helix	trans	-54.8	-50.7	175.9	-174.6	-177.7	171.3	178.7	2.4	110.6	Y290 L294 V312 H349 R350 K351 E352 Q358	Y290-R354 HydrophobicContact CE2-CG 4.39Å; Y290-R354 WeakPolarHBondContact OH-CB 3.45Å; L294-R354 HydrophobicContact CD1-CG 4.44Å; V312-R354 VanDerWaalsContact CG2-CZ 3.44Å; H349-R354 PolarHBondContact CE1-NH1 3.21Å; H349-R354 WeakPolarHBondContact NE2-CD 3.18Å; H349-R354 PolarHBondContact NE2-NH1 3.28Å; R350-R354 PolarHBondContact O-N 2.99Å; K351-R354 PolarHBondContact O-N 3.34Å; E352-R354 PolarHBondContact O-N 3.45Å; R354-Q358 WeakPolarHBondContact O-CB 3.28Å; R354-Q358 PolarHBondContact O-N 3.34Å
355	C	98.7	Very high	98.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.7	-51.8	-178.5	-72.4	0	0	0	0	111.6	K351 E352 E353 R357 Q358 F359 T361 C362 V369	K351-C355 WeakPolarHBondContact O-CB 3.48Å; K351-C355 PolarHBondContact O-N 3.14Å; K351-C355 PolarHBondContact O-SG 2.95Å; E352-C355 PolarHBondContact O-N 2.99Å; E353-C355 VanDerWaalsContact C-N 3.32Å; E353-C355 PolarHBondContact O-N 3.39Å; C355-R357 PolarHBondContact O-N 3.01Å; C355-Q358 PolarHBondContact O-N 2.88Å; C355-F359 WeakPolarHBondContact O-CB 3.34Å; C355-F359 WeakPolarHBondContact O-CD2 3.46Å; C355-F359 PolarHBondContact O-N 3.25Å; C355-T361 CarbonylContact C-O 3.36Å; C355-C362 HydrophobicContact CB-CB 4.09Å; C355-V369 HydrophobicContact CB-CG1 4.26Å; C355-V369 HydrophobicContact CB-CG2 4.3Å
356	C	98.6	Very high	98.3	Very high	55 Å²	55	49.3 Å²	49.3	37%	0.372	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-39.7	-177.7	-71.6	0	0	0	0	112.8	E352 E353 G360	E352-C356 WeakPolarHBondContact O-CB 3.46Å; E352-C356 PolarHBondContact O-N 2.91Å; E352-C356 PolarHBondContact O-SG 3.12Å; E353-C356 PolarHBondContact O-N 2.95Å; C356-G360 WeakPolarHBondContact O-CA 3.46Å; C356-G360 PolarHBondContact O-N 3.4Å
357	R	98.3	Very high	98.2	Very high	122 Å²	122	49 Å²	49	46%	0.46	27%	0.271	S	S	.	.	H	α-helix	trans	-75	-38.5	178.9	-70.3	-176.1	178.6	-70.6	-4.8	112.9	L294 H295 E353 C355	L294-R357 HydrophobicContact CD1-CB 3.67Å; L294-R357 HydrophobicContact CD2-CB 4.4Å; L294-R357 HydrophobicContact CG-CB 3.77Å; L294-R357 HydrophobicContact CG-CG 4.3Å; H295-R357 PolarHBondContact CE1-NE 3.47Å; H295-R357 VanDerWaalsContact CE1-NE 3.31Å; H295-R357 PolarHBondContact CE1-NH2 3.05Å; H295-R357 VanDerWaalsContact CE1-NH2 3.26Å; E353-R357 HydrophobicContact CG-CG 4.34Å; E353-R357 WeakPolarHBondContact O-CB 3.42Å; E353-R357 WeakPolarHBondContact O-CG 3.36Å; E353-R357 PolarHBondContact O-N 2.94Å; E353-R357 IonicContact OE1-CZ 2.74Å; E353-R357 IonicContact OE1-NE 2.86Å; E353-R357 PolarHBondContact OE1-NE 3.25Å; E353-R357 IonicContact OE1-NH2 3.18Å; C355-R357 PolarHBondContact O-N 3.01Å
358	Q	98.3	Very high	98.2	Very high	4 Å²	4	49 Å²	49	2%	0.019	27%	0.272	C	S	.	.	H	α-helix	trans	-80.4	-39.8	-176.5	-175.5	174.6	-2	0	0	112.5	L294 R354 C355 T504	L294-Q358 HydrophobicContact CD1-CB 4.45Å; R354-Q358 WeakPolarHBondContact O-CB 3.28Å; R354-Q358 PolarHBondContact O-N 3.34Å; C355-Q358 PolarHBondContact O-N 2.88Å; Q358-T504 HydrophobicContact CG-CG2 4.36Å; Q358-T504 VanDerWaalsContact O-CB 3.3Å; Q358-T504 WeakPolarHBondContact O-CB 3.37Å; Q358-T504 PolarHBondContact O-OG1 3.4Å
359	F	98.4	Very high	98.2	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-113.1	-8.1	-171.6	-54.6	-93.2	0	0	0	113.6	C355 T361 H366 T368 V369 I372 L499 A501 Y540	C355-F359 WeakPolarHBondContact O-CB 3.34Å; C355-F359 WeakPolarHBondContact O-CD2 3.46Å; C355-F359 PolarHBondContact O-N 3.25Å; F359-T361 HydrophobicContact CB-CG2 4.26Å; F359-T361 PolarHBondContact O-N 3.18Å; F359-H366 AromaticContact CD1-CE1 3.45Å; F359-H366 VanDerWaalsContact CD1-CE1 3.45Å; F359-H366 WeakPolarHBondContact CD1-CE1 3.47Å; F359-H366 AromaticContact CD1-NE2 3.57Å; F359-H366 AromaticContact CE1-CE1 3.67Å; F359-T368 HydrophobicContact CE1-CG2 3.83Å; F359-T368 HydrophobicContact CZ-CG2 3.51Å; F359-V369 HydrophobicContact CB-CG2 4.11Å; F359-V369 HydrophobicContact CD1-CG2 4.32Å; F359-V369 HydrophobicContact CD2-CG2 3.87Å; F359-V369 HydrophobicContact CE2-CG2 4.4Å; F359-V369 HydrophobicContact CG-CG2 3.84Å; F359-I372 HydrophobicContact CE2-CD1 3.47Å; F359-I372 VanDerWaalsContact CE2-CD1 3.47Å; F359-I372 HydrophobicContact CZ-CD1 3.78Å; F359-L499 HydrophobicContact CE1-CB 4.1Å; F359-L499 WeakPolarHBondContact CE1-O 3.34Å; F359-A501 HydrophobicContact CD1-CB 3.48Å; F359-A501 VanDerWaalsContact CD1-CB 3.48Å; F359-A501 HydrophobicContact CE1-CB 3.7Å; F359-A501 HydrophobicContact CG-CB 4.29Å; F359-Y540 WeakPolarHBondContact O-CE1 3.4Å; F359-Y540 PolarHBondContact O-OH 3.02Å
360	G	97.5	Very high	98.2	Very high	66 Å²	66	51.5 Å²	51.5	68%	0.68	28%	0.276	S	S	*	.	S	Bend	trans	69.6	8.2	-172.4	0	0	0	0	0	114	C356	C356-G360 WeakPolarHBondContact O-CA 3.46Å; C356-G360 PolarHBondContact O-N 3.4Å
361	T	97.9	Very high	98.2	Very high	25 Å²	25	46.5 Å²	46.5	15%	0.153	26%	0.261	C	S	.	.			trans	-157.3	152.8	-180	-174.4	0	0	0	0	110.9	C355 F359 H363 L539	C355-T361 CarbonylContact C-O 3.36Å; F359-T361 HydrophobicContact CB-CG2 4.26Å; F359-T361 PolarHBondContact O-N 3.18Å; T361-H363 WeakPolarHBondContact OG1-CB 3.41Å; T361-H363 PolarHBondContact OG1-N 2.88Å; T361-H363 VanDerWaalsContact OG1-N 3.1Å; T361-L539 HydrophobicContact CG2-CD1 4.28Å; T361-L539 HydrophobicContact CG2-CD2 3.97Å
362	C	97.6	Very high	98.2	Very high	50 Å²	50	45.2 Å²	45.2	34%	0.338	26%	0.256	S	S	.	.			trans	-112.9	18.8	167.5	63	0	0	0	0	112.3	E352 C355 T364 V369	E352-C362 HydrophobicContact CG-CB 4.3Å; C355-C362 HydrophobicContact CB-CB 4.09Å; C362-T364 PolarHBondContact O-N 3.12Å; C362-V369 VanDerWaalsContact C-CG1 3.48Å; C362-V369 WeakPolarHBondContact O-CG1 2.98Å
363	H	97.8	Very high	98.2	Very high	57 Å²	57	41.5 Å²	41.5	26%	0.264	24%	0.24	S	C	.	.			trans	-66.6	121.4	-179	-164.7	-82.4	0	0	0	112.1	T361 G365 H366 V369 P533 D534	T361-H363 WeakPolarHBondContact OG1-CB 3.41Å; T361-H363 PolarHBondContact OG1-N 2.88Å; T361-H363 VanDerWaalsContact OG1-N 3.1Å; H363-G365 WeakPolarHBondContact ND1-CA 3.25Å; H363-G365 PolarHBondContact ND1-N 3.45Å; H363-G365 PolarHBondContact O-N 3.25Å; H363-G365 VanDerWaalsContact O-N 3.13Å; H363-H366 WeakPolarHBondContact O-CB 3.17Å; H363-H366 PolarHBondContact O-N 3.46Å; H363-V369 WeakPolarHBondContact O-CG1 3.16Å; H363-P533 WeakPolarHBondContact ND1-CG 3.33Å; H363-D534 IonicContact CD2-OD2 2.69Å; H363-D534 IonicContact CE1-OD1 2.81Å; H363-D534 PolarHBondContact CE1-OD1 3.46Å; H363-D534 IonicContact CE1-OD2 3.69Å; H363-D534 IonicContact NE2-OD1 3.57Å; H363-D534 PolarHBondContact NE2-OD1 3.26Å; H363-D534 IonicContact NE2-OD2 3.59Å; H363-D534 PolarHBondContact NE2-OD2 3.35Å
364	T	97.6	Very high	98.1	Very high	89 Å²	89	44.7 Å²	44.7	55%	0.546	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.4	-176.6	51.7	0	0	0	0	114.2	C362 H366 K370 L373	C362-T364 PolarHBondContact O-N 3.12Å; T364-H366 PolarHBondContact O-N 3.17Å; T364-K370 WeakPolarHBondContact O-CB 3.23Å; T364-L373 HydrophobicContact CG2-CD1 3.63Å
365	G	97.7	Very high	98.1	Very high	45 Å²	45	45 Å²	45	46%	0.464	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.9	168.1	0	0	0	0	0	113.9	H363 P533	H363-G365 WeakPolarHBondContact ND1-CA 3.25Å; H363-G365 PolarHBondContact ND1-N 3.45Å; H363-G365 PolarHBondContact O-N 3.25Å; H363-G365 VanDerWaalsContact O-N 3.13Å; G365-P533 VanDerWaalsContact C-CG 3.45Å
366	H	98.2	Very high	98.1	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	27%	0.268	C	S	.	.	S	Bend	trans	-80.4	124.7	171.6	-179.5	-60	0	0	0	109.3	F359 H363 T364 T368 V369 K370 L499 Y500	F359-H366 AromaticContact CD1-CE1 3.45Å; F359-H366 VanDerWaalsContact CD1-CE1 3.45Å; F359-H366 WeakPolarHBondContact CD1-CE1 3.47Å; F359-H366 AromaticContact CD1-NE2 3.57Å; F359-H366 AromaticContact CE1-CE1 3.67Å; H363-H366 WeakPolarHBondContact O-CB 3.17Å; H363-H366 PolarHBondContact O-N 3.46Å; T364-H366 PolarHBondContact O-N 3.17Å; H366-T368 PolarHBondContact ND1-N 3.24Å; H366-T368 PolarHBondContact O-N 3.39Å; H366-V369 HydrophobicContact CB-CB 4Å; H366-V369 HydrophobicContact CB-CG2 3.99Å; H366-V369 PolarHBondContact ND1-N 3.05Å; H366-V369 PolarHBondContact O-N 3.07Å; H366-K370 PolarHBondContact O-N 2.93Å; H366-L499 PolarHBondContact CE1-O 3.47Å; H366-Y500 PolarHBondContact NE2-O 3Å; H366-Y500 VanDerWaalsContact NE2-O 3.16Å
367	P	97.7	Very high	98.1	Very high	29 Å²	29	47 Å²	47	19%	0.188	27%	0.271	C	S	.	.	H	α-helix	trans	-66.5	-40.8	-164.2	26.6	-36.3	0	0	0	113.5	K370 M371 W460 K462 Y500 I530	P367-K370 WeakPolarHBondContact O-CB 3.2Å; P367-K370 PolarHBondContact O-N 3.26Å; P367-M371 WeakPolarHBondContact O-CG 3.21Å; P367-M371 PolarHBondContact O-N 2.85Å; P367-M371 VanDerWaalsContact O-N 3.08Å; P367-W460 HydrophobicContact CB-CH2 3.84Å; P367-W460 HydrophobicContact CG-CH2 4.15Å; P367-K462 HydrophobicContact CG-CB 4.48Å; P367-Y500 HydrophobicContact CG-CD2 3.89Å; P367-Y500 HydrophobicContact CG-CE2 4.32Å; P367-I530 HydrophobicContact CG-CD1 4.14Å
368	T	98	Very high	98.1	Very high	9 Å²	9	44.4 Å²	44.4	6%	0.055	26%	0.261	C	S	.	.	H	α-helix	trans	-72.8	-35.6	178.4	-52.3	0	0	0	0	112.8	F359 H366 K370 M371 I372 L499	F359-T368 HydrophobicContact CE1-CG2 3.83Å; F359-T368 HydrophobicContact CZ-CG2 3.51Å; H366-T368 PolarHBondContact ND1-N 3.24Å; H366-T368 PolarHBondContact O-N 3.39Å; T368-K370 VanDerWaalsContact C-N 3.33Å; T368-M371 WeakPolarHBondContact O-CB 3.48Å; T368-M371 PolarHBondContact O-N 3.2Å; T368-I372 HydrophobicContact CG2-CD1 4.19Å; T368-I372 WeakPolarHBondContact O-CG1 3.43Å; T368-I372 PolarHBondContact O-N 2.7Å; T368-L499 WeakPolarHBondContact CB-O 3.29Å; T368-L499 HydrophobicContact CG2-CB 4.35Å; T368-L499 HydrophobicContact CG2-CD2 3.59Å; T368-L499 PolarHBondContact OG1-O 3.34Å
369	V	98.6	Very high	98.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-46	171.6	167.4	0	0	0	0	110.2	C355 F359 C362 H363 H366 M371 I372 L373	C355-V369 HydrophobicContact CB-CG1 4.26Å; C355-V369 HydrophobicContact CB-CG2 4.3Å; F359-V369 HydrophobicContact CB-CG2 4.11Å; F359-V369 HydrophobicContact CD1-CG2 4.32Å; F359-V369 HydrophobicContact CD2-CG2 3.87Å; F359-V369 HydrophobicContact CE2-CG2 4.4Å; F359-V369 HydrophobicContact CG-CG2 3.84Å; C362-V369 VanDerWaalsContact C-CG1 3.48Å; C362-V369 WeakPolarHBondContact O-CG1 2.98Å; H363-V369 WeakPolarHBondContact O-CG1 3.16Å; H366-V369 HydrophobicContact CB-CB 4Å; H366-V369 HydrophobicContact CB-CG2 3.99Å; H366-V369 PolarHBondContact ND1-N 3.05Å; H366-V369 PolarHBondContact O-N 3.07Å; V369-M371 PolarHBondContact O-N 2.9Å; V369-I372 PolarHBondContact O-N 3.21Å; V369-L373 HydrophobicContact CG1-CD1 3.77Å; V369-L373 HydrophobicContact CG1-CG 4.34Å; V369-L373 VanDerWaalsContact O-CG 3.32Å; V369-L373 WeakPolarHBondContact O-CG 3.46Å; V369-L373 PolarHBondContact O-N 3.38Å
370	K	98.4	Very high	98.2	Very high	99 Å²	99	44.1 Å²	44.1	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-55.4	-50.7	173.6	-174.8	-180	173.1	-178.2	0	111.7	T364 H366 P367 T368 I372 L373 E374	T364-K370 WeakPolarHBondContact O-CB 3.23Å; H366-K370 PolarHBondContact O-N 2.93Å; P367-K370 WeakPolarHBondContact O-CB 3.2Å; P367-K370 PolarHBondContact O-N 3.26Å; T368-K370 VanDerWaalsContact C-N 3.33Å; K370-I372 VanDerWaalsContact C-N 3.29Å; K370-I372 PolarHBondContact O-N 2.89Å; K370-L373 PolarHBondContact O-N 2.96Å; K370-E374 WeakPolarHBondContact CE-OE1 3.39Å; K370-E374 HydrophobicContact CG-CG 4.42Å; K370-E374 IonicContact NZ-OE1 2.86Å; K370-E374 WeakPolarHBondContact O-CB 3.49Å; K370-E374 WeakPolarHBondContact O-CG 3.49Å; K370-E374 PolarHBondContact O-N 3.34Å
371	M	98.2	Very high	98.2	Very high	65 Å²	65	41 Å²	41	32%	0.32	23%	0.228	S	C	.	.	H	α-helix	trans	-57.5	-41.1	177.6	-68.5	172.7	177.7	0	0	112.6	I265 P367 T368 V369 S375 W460	I265-M371 HydrophobicContact CD1-CE 4.07Å; I265-M371 HydrophobicContact CD1-SD 3.75Å; P367-M371 WeakPolarHBondContact O-CG 3.21Å; P367-M371 PolarHBondContact O-N 2.85Å; P367-M371 VanDerWaalsContact O-N 3.08Å; T368-M371 WeakPolarHBondContact O-CB 3.48Å; T368-M371 PolarHBondContact O-N 3.2Å; V369-M371 PolarHBondContact O-N 2.9Å; M371-S375 WeakPolarHBondContact O-CB 3.02Å; M371-S375 PolarHBondContact O-N 3.48Å; M371-W460 HydrophobicContact CE-CD2 4.04Å; M371-W460 VanDerWaalsContact CE-CE2 3.4Å; M371-W460 HydrophobicContact CE-CE3 4.38Å; M371-W460 HydrophobicContact CE-CH2 3.68Å; M371-W460 HydrophobicContact CE-CZ2 3.22Å; M371-W460 HydrophobicContact CE-CZ3 4.21Å; M371-W460 HydrophobicContact SD-CH2 4.4Å; M371-W460 HydrophobicContact SD-CZ2 4.42Å; M371-W460 HydrophobicContact SD-CZ3 4.45Å
372	I	98.5	Very high	98.3	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.051	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-47.9	177.5	-71	166	0	0	0	110.3	K351 F359 T368 V369 K370 E374 S375	K351-I372 HydrophobicContact CB-CG2 4.15Å; K351-I372 WeakPolarHBondContact CD-O 3.39Å; K351-I372 HydrophobicContact CG-CG2 4.1Å; F359-I372 HydrophobicContact CE2-CD1 3.47Å; F359-I372 VanDerWaalsContact CE2-CD1 3.47Å; F359-I372 HydrophobicContact CZ-CD1 3.78Å; T368-I372 HydrophobicContact CG2-CD1 4.19Å; T368-I372 WeakPolarHBondContact O-CG1 3.43Å; T368-I372 PolarHBondContact O-N 2.7Å; V369-I372 PolarHBondContact O-N 3.21Å; K370-I372 VanDerWaalsContact C-N 3.29Å; K370-I372 PolarHBondContact O-N 2.89Å; I372-E374 VanDerWaalsContact C-N 3.29Å; I372-E374 PolarHBondContact O-N 3.33Å; I372-S375 WeakPolarHBondContact O-CB 3.37Å; I372-S375 PolarHBondContact O-N 3.32Å; I372-S375 VanDerWaalsContact O-N 3.08Å; I372-S375 PolarHBondContact O-OG 3.41Å
373	L	98.5	Very high	98.3	Very high	53 Å²	53	39.6 Å²	39.6	28%	0.277	22%	0.221	S	C	.	.	H	α-helix	trans	-62	-37	-179	-69.3	172	0	0	0	112.4	K351 T364 V369 K370 S375	K351-L373 HydrophobicContact CB-CD2 4.05Å; K351-L373 PolarHBondContact NZ-O 2.94Å; K351-L373 VanDerWaalsContact NZ-O 3.11Å; T364-L373 HydrophobicContact CG2-CD1 3.63Å; V369-L373 HydrophobicContact CG1-CD1 3.77Å; V369-L373 HydrophobicContact CG1-CG 4.34Å; V369-L373 VanDerWaalsContact O-CG 3.32Å; V369-L373 WeakPolarHBondContact O-CG 3.46Å; V369-L373 PolarHBondContact O-N 3.38Å; K370-L373 PolarHBondContact O-N 2.96Å; L373-S375 VanDerWaalsContact C-N 3.34Å
374	E	98.1	Very high	98.3	Very high	137 Å²	137	37.4 Å²	37.4	64%	0.64	21%	0.211	S	C	*	.	H	α-helix	trans	-79.9	-11.6	176.4	-68.1	173.6	169.5	0	0	113.6	K370 I372	K370-E374 WeakPolarHBondContact CE-OE1 3.39Å; K370-E374 HydrophobicContact CG-CG 4.42Å; K370-E374 IonicContact NZ-OE1 2.86Å; K370-E374 WeakPolarHBondContact O-CB 3.49Å; K370-E374 WeakPolarHBondContact O-CG 3.49Å; K370-E374 PolarHBondContact O-N 3.34Å; I372-E374 VanDerWaalsContact C-N 3.29Å; I372-E374 PolarHBondContact O-N 3.33Å
375	S	98	Very high	98.3	Very high	28 Å²	28	36.5 Å²	36.5	20%	0.196	20%	0.2	C	C	.	.	S	Bend	trans	-78.5	173.2	177.9	77.3	0	0	0	0	112.9	H349 K351 M371 I372 L373	H349-S375 PolarHBondContact CE1-OG 2.95Å; H349-S375 VanDerWaalsContact CE1-OG 3.26Å; K351-S375 PolarHBondContact NZ-O 3.14Å; M371-S375 WeakPolarHBondContact O-CB 3.02Å; M371-S375 PolarHBondContact O-N 3.48Å; I372-S375 WeakPolarHBondContact O-CB 3.37Å; I372-S375 PolarHBondContact O-N 3.32Å; I372-S375 VanDerWaalsContact O-N 3.08Å; I372-S375 PolarHBondContact O-OG 3.41Å; L373-S375 VanDerWaalsContact C-N 3.34Å
376	G	98	Very high	98.4	Very high	16 Å²	16	34.4 Å²	34.4	17%	0.165	18%	0.177	C	C	.	.			trans	-60.9	154.9	-178.2	0	0	0	0	0	114.8	L315 H349 W378	L315-G376 CarbonylContact O-C 3.49Å; L315-G376 VanDerWaalsContact O-CA 3.24Å; L315-G376 WeakPolarHBondContact O-CA 3.48Å; H349-G376 PolarHBondContact ND1-O 3.4Å; G376-W378 VanDerWaalsContact C-N 3.26Å; G376-W378 PolarHBondContact O-N 3.33Å
377	D	98.6	Very high	98.3	Very high	81 Å²	81	34.9 Å²	34.9	43%	0.433	18%	0.18	S	C	.	.	S	Bend	trans	-81	-4	-176.7	-56.5	-47.3	0	0	0	113.8	L315 H349 K351	L315-D377 PolarHBondContact O-N 3.47Å; H349-D377 VanDerWaalsContact CB-C 3.46Å; H349-D377 WeakPolarHBondContact CB-O 3.2Å; H349-D377 PolarHBondContact N-O 3.19Å; K351-D377 WeakPolarHBondContact CE-OD1 3.29Å; K351-D377 IonicContact NZ-OD1 3.03Å; K351-D377 PolarHBondContact NZ-OD1 3.08Å
378	W	98.8	Very high	98.2	Very high	67 Å²	67	36.8 Å²	36.8	25%	0.254	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	153.5	175.7	-65.7	85	0	0	0	110.4	P314 L315 T317 K320 F346 Y347 G376	P314-W378 WeakPolarHBondContact CA-O 3.2Å; L315-W378 HydrophobicContact CD2-CB 3.71Å; L315-W378 WeakPolarHBondContact CD2-O 3.47Å; L315-W378 HydrophobicContact CG-CB 4.1Å; L315-W378 PolarHBondContact N-O 3.08Å; L315-W378 PolarHBondContact O-N 3.45Å; L315-W378 VanDerWaalsContact O-N 3.14Å; T317-W378 PolarHBondContact OG1-NE1 2.98Å; K320-W378 HydrophobicContact CB-CB 4.28Å; K320-W378 HydrophobicContact CB-CD2 4.38Å; K320-W378 HydrophobicContact CB-CG 3.97Å; K320-W378 HydrophobicContact CD-CD2 4.2Å; K320-W378 HydrophobicContact CD-CE3 4.45Å; K320-W378 HydrophobicContact CD-CZ2 4.4Å; K320-W378 HydrophobicContact CG-CB 4.38Å; K320-W378 HydrophobicContact CG-CD2 3.85Å; K320-W378 HydrophobicContact CG-CE3 4.14Å; K320-W378 HydrophobicContact CG-CG 3.94Å; F346-W378 HydrophobicContact CB-CE3 4.29Å; Y347-W378 WeakPolarHBondContact O-CA 3.21Å; G376-W378 VanDerWaalsContact C-N 3.26Å; G376-W378 PolarHBondContact O-N 3.33Å
379	L	98.9	Very high	98.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	148.6	164	-63.6	177.7	0	0	0	108.4	Y290 V312 L313 P314 F346 Y347 H349	Y290-L379 HydrophobicContact CD2-CD1 4.26Å; Y290-L379 HydrophobicContact CE2-CD1 4.09Å; V312-L379 HydrophobicContact CB-CD1 3.99Å; V312-L379 HydrophobicContact CB-CD2 3.93Å; V312-L379 HydrophobicContact CB-CG 4.4Å; V312-L379 HydrophobicContact CG1-CD1 4.05Å; V312-L379 HydrophobicContact CG2-CD1 3.97Å; V312-L379 HydrophobicContact CG2-CD2 3.74Å; V312-L379 HydrophobicContact CG2-CG 4.47Å; L313-L379 WeakPolarHBondContact O-CA 3.5Å; P314-L379 HydrophobicContact CB-CD2 3.99Å; F346-L379 WeakPolarHBondContact CA-O 3.43Å; Y347-L379 HydrophobicContact CD2-CB 4.14Å; Y347-L379 HydrophobicContact CD2-CD1 4.37Å; Y347-L379 HydrophobicContact CE1-CB 4.07Å; Y347-L379 HydrophobicContact CE2-CB 3.66Å; Y347-L379 HydrophobicContact CE2-CD1 3.54Å; Y347-L379 HydrophobicContact CE2-CG 4.17Å; Y347-L379 PolarHBondContact N-O 3.25Å; Y347-L379 PolarHBondContact O-N 3.02Å; H349-L379 HydrophobicContact CB-CD1 4.44Å; H349-L379 HydrophobicContact CB-CD2 4.19Å; H349-L379 HydrophobicContact CB-CG 3.81Å
380	V	98.9	Very high	98.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.3	170.3	67.4	0	0	0	0	110.2	W284 L313 L315 L341 P344 E345 F346	W284-V380 VanDerWaalsContact CB-O 3.28Å; W284-V380 WeakPolarHBondContact CB-O 3.39Å; L313-V380 HydrophobicContact CB-CG1 4Å; L313-V380 HydrophobicContact CD2-CG1 3.81Å; L313-V380 HydrophobicContact CG-CG1 4.01Å; L313-V380 PolarHBondContact O-N 3.5Å; L315-V380 HydrophobicContact CD2-CB 3.91Å; L315-V380 HydrophobicContact CD2-CG1 4.07Å; L341-V380 HydrophobicContact CD2-CB 4.47Å; L341-V380 HydrophobicContact CD2-CG1 3.96Å; L341-V380 HydrophobicContact CD2-CG2 3.7Å; P344-V380 HydrophobicContact CB-CG2 3.77Å; E345-V380 CarbonylContact O-C 3.53Å; E345-V380 WeakPolarHBondContact O-CA 3.38Å; F346-V380 HydrophobicContact CD1-CB 3.77Å; F346-V380 HydrophobicContact CD1-CG2 3.68Å; F346-V380 HydrophobicContact CE1-CB 3.71Å; F346-V380 HydrophobicContact CE1-CG2 3.38Å; F346-V380 HydrophobicContact CE2-CG2 4.34Å; F346-V380 HydrophobicContact CG-CG2 4.29Å; F346-V380 HydrophobicContact CZ-CG2 3.77Å
381	G	98.8	Very high	98	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	169.6	170.4	0	0	0	0	0	111.7	W284 M285 P344 E345	W284-G381 CarbonylContact O-C 3.57Å; W284-G381 WeakPolarHBondContact O-CA 3.5Å; M285-G381 WeakPolarHBondContact O-CA 3.47Å; P344-G381 VanDerWaalsContact CA-O 3.31Å; P344-G381 WeakPolarHBondContact CA-O 3.35Å; E345-G381 PolarHBondContact N-O 3.46Å; E345-G381 PolarHBondContact O-N 3.45Å
382	G	98.4	Very high	97.9	Very high	8 Å²	8	40.5 Å²	40.5	8%	0.082	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.9	172.6	175	0	0	0	0	0	112.7	G283 W284 L341 N342	G283-G382 CarbonylContact C-O 3.5Å; G283-G382 VanDerWaalsContact CA-O 3.27Å; G283-G382 WeakPolarHBondContact CA-O 3.38Å; W284-G382 PolarHBondContact N-O 3.37Å; W284-G382 VanDerWaalsContact N-O 3.12Å; W284-G382 PolarHBondContact O-N 2.93Å; L341-G382 VanDerWaalsContact CD1-C 3.41Å; N342-G382 WeakPolarHBondContact O-CA 3.37Å
383	S	98.1	Very high	97.8	Very high	38 Å²	38	46.7 Å²	46.7	27%	0.266	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	145.3	-177.8	68.8	0	0	0	0	111.8	L341 N342	L341-S383 CarbonylContact C-O 3.25Å; L341-S383 WeakPolarHBondContact CA-O 3.37Å; N342-S383 PolarHBondContact N-O 2.96Å; N342-S383 PolarHBondContact O-N 3.34Å
384	L	98.6	Very high	97.7	Very high	11 Å²	11	47.5 Å²	47.5	6%	0.058	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.5	-177.2	-70.4	173.3	0	0	0	112.1	L240 L270 L273 T282 L331 A339 V340 L341 V386	L240-L384 HydrophobicContact CD1-CB 4.14Å; L270-L384 HydrophobicContact CD1-CD1 3.47Å; L270-L384 VanDerWaalsContact CD1-CD1 3.47Å; L270-L384 HydrophobicContact CD1-CD2 4.43Å; L273-L384 HydrophobicContact CB-CD1 4.38Å; L273-L384 HydrophobicContact CD1-CD1 3.83Å; T282-L384 PolarHBondContact O-N 3.24Å; L331-L384 HydrophobicContact CD1-CD2 3.76Å; A339-L384 HydrophobicContact CB-CD2 4.46Å; V340-L384 WeakPolarHBondContact O-CA 3.29Å; L341-L384 HydrophobicContact CB-CD2 4.11Å; L341-L384 HydrophobicContact CD1-CD2 4.02Å; L384-V386 HydrophobicContact CB-CG2 4.3Å
385	K	97.9	Very high	97.7	Very high	70 Å²	70	43.8 Å²	43.8	30%	0.304	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	110.2	160.7	-69.6	-174.9	-175.9	-166.4	0	108.3	V242 E246 L250 A339 V340	V242-K385 HydrophobicContact CG1-CB 3.67Å; V242-K385 HydrophobicContact CG1-CD 4Å; V242-K385 HydrophobicContact CG1-CG 3.82Å; E246-K385 WeakPolarHBondContact OE1-CD 3.41Å; E246-K385 WeakPolarHBondContact OE1-CE 3.4Å; E246-K385 IonicContact OE1-NZ 2.73Å; E246-K385 PolarHBondContact OE1-NZ 3.33Å; L250-K385 HydrophobicContact CD2-CB 3.96Å; L250-K385 HydrophobicContact CD2-CD 4.31Å; A339-K385 CarbonylContact C-O 3.54Å; A339-K385 VanDerWaalsContact CA-O 3.25Å; A339-K385 WeakPolarHBondContact CA-O 3.27Å; V340-K385 PolarHBondContact N-O 2.96Å; V340-K385 PolarHBondContact O-N 3.22Å
386	V	98.4	Very high	97.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.2	-175.5	-173.2	0	0	0	0	109.2	L240 F241 V242 L270 A274 A339 L384 E388	L240-V386 HydrophobicContact CB-CG2 4.09Å; L240-V386 PolarHBondContact O-N 3.22Å; F241-V386 CarbonylContact C-O 3.5Å; F241-V386 VanDerWaalsContact CA-O 3.31Å; F241-V386 WeakPolarHBondContact CA-O 3.42Å; F241-V386 HydrophobicContact CD1-CB 3.98Å; F241-V386 HydrophobicContact CD1-CG1 3.86Å; F241-V386 HydrophobicContact CE1-CB 4.36Å; F241-V386 HydrophobicContact CE1-CG1 3.89Å; V242-V386 WeakPolarHBondContact CG2-O 3.26Å; V242-V386 PolarHBondContact N-O 2.85Å; L270-V386 HydrophobicContact CD1-CG2 3.96Å; A274-V386 HydrophobicContact CB-CB 4.14Å; A274-V386 HydrophobicContact CB-CG1 4.02Å; A274-V386 HydrophobicContact CB-CG2 3.77Å; A339-V386 HydrophobicContact CB-CB 4.46Å; A339-V386 HydrophobicContact CB-CG2 4.11Å; L384-V386 HydrophobicContact CB-CG2 4.3Å; V386-E388 VanDerWaalsContact C-N 3.31Å; V386-E388 PolarHBondContact O-N 3.46Å
387	L	97.6	Very high	97.7	Very high	11 Å²	11	44.4 Å²	44.4	6%	0.058	23%	0.231	C	C	.	.			trans	-71.9	-27.7	-165.3	-58.4	-172.7	0	0	0	113.4	V242 L247 L250 L254 I337 V338	V242-L387 HydrophobicContact CG2-CD2 4.19Å; L247-L387 HydrophobicContact CD1-CB 4.14Å; L247-L387 HydrophobicContact CD1-CD2 4.05Å; L247-L387 WeakPolarHBondContact CD1-O 3.47Å; L250-L387 HydrophobicContact CD2-CD2 3.42Å; L250-L387 VanDerWaalsContact CD2-CD2 3.42Å; L250-L387 HydrophobicContact CG-CD2 4.17Å; L254-L387 HydrophobicContact CD1-CD1 3.61Å; L254-L387 HydrophobicContact CD2-CD1 4.43Å; I337-L387 HydrophobicContact CB-CD1 4.43Å; I337-L387 HydrophobicContact CG2-CD1 3.87Å; V338-L387 PolarHBondContact O-N 3.49Å
388	E	95	Very high	97.6	Very high	70 Å²	70	47.8 Å²	47.8	33%	0.327	24%	0.242	S	C	.	.	S	Bend	trans	-165.4	167.7	-179.9	56.4	178.3	-132.5	0	0	111.6	F241 R336 V386 I390	F241-E388 WeakPolarHBondContact CD1-O 2.94Å; F241-E388 WeakPolarHBondContact CE1-O 3.37Å; R336-E388 IonicContact CZ-OE1 3.05Å; R336-E388 IonicContact CZ-OE2 3.78Å; R336-E388 IonicContact NH1-OE1 3.2Å; R336-E388 PolarHBondContact NH1-OE1 2.75Å; R336-E388 IonicContact NH2-OE1 2.66Å; R336-E388 PolarHBondContact NH2-OE1 3.06Å; R336-E388 IonicContact NH2-OE2 2.87Å; R336-E388 PolarHBondContact NH2-OE2 3.43Å; V386-E388 VanDerWaalsContact C-N 3.31Å; V386-E388 PolarHBondContact O-N 3.46Å; E388-I390 PolarHBondContact O-N 2.9Å
389	R	96.8	Very high	97.6	Very high	55 Å²	55	46.3 Å²	46.3	21%	0.208	24%	0.237	C	C	.	.			trans	-55.7	126.5	171.4	-168.1	91.8	-173.2	77	6.1	110.4	E275 K391 R400 T402	E275-R389 VanDerWaalsContact CD-CZ 3.44Å; E275-R389 IonicContact OE1-CZ 2.73Å; E275-R389 IonicContact OE1-NH1 2.66Å; E275-R389 PolarHBondContact OE1-NH1 2.93Å; E275-R389 IonicContact OE1-NH2 2.65Å; E275-R389 PolarHBondContact OE1-NH2 2.99Å; E275-R389 IonicContact OE2-NH2 3.91Å; E275-R389 PolarHBondContact OE2-NH2 3.33Å; R389-K391 PolarHBondContact O-N 3.28Å; R389-R400 PolarHBondContact NH2-O 2.95Å; R389-T402 VanDerWaalsContact NE-CG2 3.31Å; R389-T402 VanDerWaalsContact NH2-CG2 3.32Å
390	I	97.5	Very high	97.6	Very high	15 Å²	15	47 Å²	47	8%	0.077	24%	0.24	C	C	.	.			trans	-70.1	122.8	175.1	-68.1	167.1	0	0	0	109.5	L267 L270 Q271 E388 W392	L267-I390 HydrophobicContact CD1-CD1 3.81Å; L267-I390 HydrophobicContact CD1-CG1 4.24Å; L267-I390 HydrophobicContact CD1-CG2 4.48Å; L267-I390 HydrophobicContact CD2-CG2 4.41Å; L267-I390 HydrophobicContact CG-CD1 4.38Å; L267-I390 HydrophobicContact CG-CG2 4.3Å; L270-I390 HydrophobicContact CB-CD1 4.34Å; L270-I390 HydrophobicContact CD2-CD1 4.29Å; L270-I390 HydrophobicContact CG-CD1 3.99Å; Q271-I390 HydrophobicContact CB-CB 4.38Å; Q271-I390 HydrophobicContact CB-CD1 3.68Å; Q271-I390 HydrophobicContact CB-CG2 4.41Å; Q271-I390 HydrophobicContact CG-CB 4.23Å; Q271-I390 HydrophobicContact CG-CD1 4.35Å; Q271-I390 HydrophobicContact CG-CG2 4.43Å; E388-I390 PolarHBondContact O-N 2.9Å; I390-W392 HydrophobicContact CG2-CZ2 4.49Å
391	K	96.6	Very high	97.5	Very high	139 Å²	139	48.4 Å²	48.4	60%	0.604	25%	0.247	S	C	*	.			trans	-121.4	137.3	176.4	-65.3	-178.4	-179	179.8	0	109.6	R389	R389-K391 PolarHBondContact O-N 3.28Å
392	W	96.6	Very high	97.4	Very high	42 Å²	42	48.5 Å²	48.5	16%	0.159	25%	0.248	C	C	.	.			trans	-96.8	-15.8	-177.7	-67.6	89.4	0	0	0	113.1	R264 L267 Q268 I390 D394 D397	R264-W392 HydrophobicContact CG-CH2 3.85Å; R264-W392 HydrophobicContact CG-CZ3 3.76Å; L267-W392 HydrophobicContact CB-CH2 4.34Å; L267-W392 HydrophobicContact CD2-CH2 3.75Å; L267-W392 HydrophobicContact CD2-CZ2 4.22Å; L267-W392 HydrophobicContact CD2-CZ3 4.09Å; L267-W392 HydrophobicContact CG-CH2 4.19Å; L267-W392 HydrophobicContact CG-CZ2 4.38Å; Q268-W392 HydrophobicContact CG-CH2 3.66Å; Q268-W392 HydrophobicContact CG-CZ2 3.48Å; Q268-W392 VanDerWaalsContact CG-CZ2 3.48Å; I390-W392 HydrophobicContact CG2-CZ2 4.49Å; W392-D394 HydrophobicContact CB-CB 4.44Å; W392-D394 PolarHBondContact O-N 3.06Å; W392-D394 VanDerWaalsContact O-N 3.15Å; W392-D397 PolarHBondContact N-OD1 3.43Å; W392-D397 PolarHBondContact N-OD2 3.31Å; W392-D397 VanDerWaalsContact N-OD2 3.11Å
393	N	95.9	Very high	97.3	Very high	140 Å²	140	48.1 Å²	48.1	75%	0.749	24%	0.244	S	C	*	.			trans	52.2	33.7	-179.2	-57	-49.2	0	0	0	113	D397	N393-D397 WeakPolarHBondContact CA-OD2 3.5Å; N393-D397 PolarHBondContact N-OD2 2.98Å
394	D	96.4	Very high	96.9	Very high	70 Å²	70	51.1 Å²	51.1	37%	0.374	25%	0.254	S	S	.	.	S	Bend	trans	-102.6	13.4	-178	66.1	-5.6	0	0	0	112.8	W392 L396 R400	W392-D394 HydrophobicContact CB-CB 4.44Å; W392-D394 PolarHBondContact O-N 3.06Å; W392-D394 VanDerWaalsContact O-N 3.15Å; D394-L396 PolarHBondContact O-N 2.98Å; D394-L396 WeakPolarHBondContact OD1-CB 3.47Å; D394-L396 PolarHBondContact OD1-N 3.3Å; D394-R400 IonicContact OD1-CZ 3.04Å; D394-R400 IonicContact OD1-NH1 3.55Å; D394-R400 PolarHBondContact OD1-NH1 3.13Å; D394-R400 IonicContact OD1-NH2 2.83Å; D394-R400 IonicContact OD2-CZ 3.67Å; D394-R400 IonicContact OD2-NH1 2.74Å; D394-R400 PolarHBondContact OD2-NH1 2.83Å; D394-R400 IonicContact OD2-NH2 3.65Å; D394-R400 PolarHBondContact OD2-NH2 3.42Å
395	G	97.5	Very high	96.7	Very high	59 Å²	59	54.6 Å²	54.6	61%	0.608	27%	0.27	S	S	*	.	S	Bend	trans	79.1	-2.4	-176.1	0	0	0	0	0	114.8
396	L	98.1	Very high	96.7	Very high	19 Å²	19	51.2 Å²	51.2	10%	0.099	26%	0.256	C	S	.	.			trans	-108.7	-2.8	-176.5	-54.5	178.4	0	0	0	114	D394 K398 Y399 L468 A469 I472 I493	D394-L396 PolarHBondContact O-N 2.98Å; D394-L396 WeakPolarHBondContact OD1-CB 3.47Å; D394-L396 PolarHBondContact OD1-N 3.3Å; L396-K398 PolarHBondContact O-N 3.39Å; L396-K398 VanDerWaalsContact O-N 3.09Å; L396-Y399 HydrophobicContact CD2-CD2 4.32Å; L396-Y399 HydrophobicContact CD2-CE2 4.42Å; L396-Y399 WeakPolarHBondContact O-CB 3.46Å; L396-Y399 PolarHBondContact O-N 2.94Å; L396-L468 HydrophobicContact CD1-CD2 3.97Å; L396-L468 HydrophobicContact CD1-CG 3.88Å; L396-A469 HydrophobicContact CD1-CB 4.14Å; L396-I472 HydrophobicContact CD1-CG1 4.46Å; L396-I472 HydrophobicContact CD2-CB 4.33Å; L396-I472 HydrophobicContact CD2-CG1 4.49Å; L396-I472 HydrophobicContact CD2-CG2 4.1Å; L396-I493 HydrophobicContact CB-CD1 3.91Å
397	D	98.3	Very high	96.3	Very high	37 Å²	37	54.4 Å²	54.4	20%	0.198	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-58.3	-27.6	-177.3	-72.2	-36.6	0	0	0	113.3	W392 N393 Y399 R400	W392-D397 PolarHBondContact N-OD1 3.43Å; W392-D397 PolarHBondContact N-OD2 3.31Å; W392-D397 VanDerWaalsContact N-OD2 3.11Å; N393-D397 WeakPolarHBondContact CA-OD2 3.5Å; N393-D397 PolarHBondContact N-OD2 2.98Å; D397-Y399 PolarHBondContact O-N 2.96Å; D397-Y399 VanDerWaalsContact O-N 3.13Å; D397-R400 PolarHBondContact O-N 3.4Å; D397-R400 WeakPolarHBondContact OD1-CD 3.14Å; D397-R400 IonicContact OD1-CZ 3.57Å; D397-R400 IonicContact OD1-NE 3.37Å; D397-R400 IonicContact OD1-NH1 3.46Å; D397-R400 PolarHBondContact OD1-NH1 2.73Å
398	K	97.7	Very high	95.9	Very high	153 Å²	153	58.8 Å²	58.8	67%	0.665	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-61.8	-18	173.6	68.3	-178.7	-179.1	176.7	0	114.4	L396	L396-K398 PolarHBondContact O-N 3.39Å; L396-K398 VanDerWaalsContact O-N 3.09Å
399	Y	98	Very high	95.9	Very high	36 Å²	36	61.7 Å²	61.7	14%	0.141	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-99.1	-7.1	174.2	-56.4	-72.1	0	0	0	112.3	L396 D397 L401 I472 L476 L491 A492 I493	L396-Y399 HydrophobicContact CD2-CD2 4.32Å; L396-Y399 HydrophobicContact CD2-CE2 4.42Å; L396-Y399 WeakPolarHBondContact O-CB 3.46Å; L396-Y399 PolarHBondContact O-N 2.94Å; D397-Y399 PolarHBondContact O-N 2.96Å; D397-Y399 VanDerWaalsContact O-N 3.13Å; Y399-L401 VanDerWaalsContact C-N 3.34Å; Y399-L401 PolarHBondContact O-N 2.85Å; Y399-L401 VanDerWaalsContact O-N 3.12Å; Y399-I472 HydrophobicContact CD2-CG2 4Å; Y399-I472 HydrophobicContact CE2-CG2 3.77Å; Y399-L476 HydrophobicContact CE1-CD2 4.46Å; Y399-L476 WeakPolarHBondContact OH-CD1 3.49Å; Y399-L491 HydrophobicContact CD1-CD2 4.17Å; Y399-L491 HydrophobicContact CD1-CG 4.12Å; Y399-L491 HydrophobicContact CE1-CD2 4.04Å; Y399-L491 HydrophobicContact CE1-CG 4.44Å; Y399-A492 CarbonylContact O-C 3.59Å; Y399-A492 VanDerWaalsContact O-CA 3.26Å; Y399-A492 WeakPolarHBondContact O-CA 3.36Å; Y399-I493 PolarHBondContact O-N 3.45Å
400	R	98.2	Very high	95.7	Very high	15 Å²	15	59.5 Å²	59.5	6%	0.057	29%	0.289	C	S	.	.			trans	-87.8	71.7	179.7	-67.4	-172.7	178	87.2	6.5	111.4	R389 D394 D397 I493	R389-R400 PolarHBondContact NH2-O 2.95Å; D394-R400 IonicContact OD1-CZ 3.04Å; D394-R400 IonicContact OD1-NH1 3.55Å; D394-R400 PolarHBondContact OD1-NH1 3.13Å; D394-R400 IonicContact OD1-NH2 2.83Å; D394-R400 IonicContact OD2-CZ 3.67Å; D394-R400 IonicContact OD2-NH1 2.74Å; D394-R400 PolarHBondContact OD2-NH1 2.83Å; D394-R400 IonicContact OD2-NH2 3.65Å; D394-R400 PolarHBondContact OD2-NH2 3.42Å; D397-R400 PolarHBondContact O-N 3.4Å; D397-R400 WeakPolarHBondContact OD1-CD 3.14Å; D397-R400 IonicContact OD1-CZ 3.57Å; D397-R400 IonicContact OD1-NE 3.37Å; D397-R400 IonicContact OD1-NH1 3.46Å; D397-R400 PolarHBondContact OD1-NH1 2.73Å; R400-I493 HydrophobicContact CG-CB 3.99Å; R400-I493 HydrophobicContact CG-CD1 4.17Å; R400-I493 HydrophobicContact CG-CG2 4.14Å
401	L	98	Very high	95.2	Very high	28 Å²	28	63 Å²	63	15%	0.147	31%	0.31	C	S	.	.			trans	-81.8	138	178.6	-55.7	-177.3	0	0	0	111.1	Y399 E405 I406 R409 L490 A492	Y399-L401 VanDerWaalsContact C-N 3.34Å; Y399-L401 PolarHBondContact O-N 2.85Å; Y399-L401 VanDerWaalsContact O-N 3.12Å; L401-E405 VanDerWaalsContact CA-OE2 3.28Å; L401-E405 WeakPolarHBondContact CA-OE2 3.41Å; L401-E405 HydrophobicContact CB-CB 4.07Å; L401-E405 HydrophobicContact CD2-CB 4.47Å; L401-I406 HydrophobicContact CB-CD1 4.22Å; L401-I406 HydrophobicContact CB-CG1 3.59Å; L401-I406 HydrophobicContact CD1-CG1 4.21Å; L401-R409 HydrophobicContact CD1-CG 4.28Å; L401-L490 HydrophobicContact CD1-CD1 4.32Å; L401-A492 HydrophobicContact CB-CB 4.4Å; L401-A492 HydrophobicContact CD1-CB 4.29Å; L401-A492 HydrophobicContact CG-CB 4.42Å
402	T	96.8	Very high	94.9	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.018	31%	0.306	C	S	.	.			trans	-68	162.5	170.2	78.7	0	0	0	0	110.7	E239 E275 R389 M404 E405 I406	E239-T402 VanDerWaalsContact OE1-CB 3.31Å; E239-T402 WeakPolarHBondContact OE1-CB 3.06Å; E239-T402 WeakPolarHBondContact OE1-CG2 3.46Å; E239-T402 PolarHBondContact OE1-OG1 3.13Å; E275-T402 HydrophobicContact CB-CG2 4.29Å; E275-T402 HydrophobicContact CG-CG2 4.03Å; R389-T402 VanDerWaalsContact NE-CG2 3.31Å; R389-T402 VanDerWaalsContact NH2-CG2 3.32Å; T402-M404 PolarHBondContact O-N 3.06Å; T402-M404 PolarHBondContact OG1-N 2.98Å; T402-E405 PolarHBondContact N-OE2 3.41Å; T402-E405 PolarHBondContact O-N 3.2Å; T402-E405 PolarHBondContact OG1-N 2.91Å; T402-E405 VanDerWaalsContact OG1-N 3.16Å; T402-I406 WeakPolarHBondContact O-CG1 3.44Å; T402-I406 PolarHBondContact O-N 3.34Å
403	P	94.6	Very high	94.9	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-50.7	-39.3	169.8	-29.8	38.8	0	0	0	113.5	I237 E275 W277 R407 A515	I237-P403 HydrophobicContact CD1-CB 3.74Å; I237-P403 HydrophobicContact CG1-CB 4.24Å; I237-P403 HydrophobicContact CG2-CB 4.21Å; E275-P403 WeakPolarHBondContact O-CD 3.5Å; W277-P403 HydrophobicContact CD2-CG 3.5Å; W277-P403 VanDerWaalsContact CD2-CG 3.5Å; W277-P403 HydrophobicContact CE3-CG 3.62Å; W277-P403 HydrophobicContact CG-CG 4.05Å; W277-P403 HydrophobicContact CH2-CG 3.91Å; W277-P403 HydrophobicContact CZ2-CG 3.82Å; W277-P403 HydrophobicContact CZ3-CG 3.82Å; P403-R407 VanDerWaalsContact O-CG 3.31Å; P403-R407 WeakPolarHBondContact O-CG 3.18Å; P403-R407 PolarHBondContact O-N 2.91Å; P403-A515 HydrophobicContact CB-CB 4.17Å; P403-A515 HydrophobicContact CG-CB 4.29Å
404	M	90.3	Very high	94.5	Very high	100 Å²	100	57.6 Å²	57.6	49%	0.493	30%	0.298	S	S	.	.	H	α-helix	trans	-69.2	-44.4	177.9	-68.1	-176.5	63.5	0	0	111.9	I237 E239 T402 I406 R407 Q408	I237-M404 HydrophobicContact CB-CG 4.49Å; I237-M404 HydrophobicContact CD1-CG 4.17Å; I237-M404 HydrophobicContact CG2-CG 4.07Å; E239-M404 HydrophobicContact CG-SD 4.14Å; T402-M404 PolarHBondContact O-N 3.06Å; T402-M404 PolarHBondContact OG1-N 2.98Å; M404-I406 VanDerWaalsContact C-N 3.33Å; M404-I406 PolarHBondContact O-N 3.14Å; M404-R407 PolarHBondContact O-N 3.42Å; M404-Q408 WeakPolarHBondContact O-CB 3.4Å; M404-Q408 PolarHBondContact O-N 2.89Å
405	E	95.2	Very high	94.2	Very high	84 Å²	84	55.2 Å²	55.2	39%	0.393	29%	0.288	S	S	.	.	H	α-helix	trans	-61.9	-41.6	175.3	-69.1	174.1	143.4	0	0	111.3	L401 T402 Q408 R409	L401-E405 VanDerWaalsContact CA-OE2 3.28Å; L401-E405 WeakPolarHBondContact CA-OE2 3.41Å; L401-E405 HydrophobicContact CB-CB 4.07Å; L401-E405 HydrophobicContact CD2-CB 4.47Å; T402-E405 PolarHBondContact N-OE2 3.41Å; T402-E405 PolarHBondContact O-N 3.2Å; T402-E405 PolarHBondContact OG1-N 2.91Å; T402-E405 VanDerWaalsContact OG1-N 3.16Å; E405-Q408 PolarHBondContact O-N 3.23Å; E405-R409 VanDerWaalsContact O-CG 3.27Å; E405-R409 WeakPolarHBondContact O-CG 3.22Å; E405-R409 PolarHBondContact O-N 3.31Å
406	I	96.6	Very high	93.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-48.1	175.9	-69.6	166.1	0	0	0	110.6	W277 L401 T402 M404 Q408 R409 L410 L453 L490 A492 A516	W277-I406 HydrophobicContact CH2-CD1 3.6Å; W277-I406 HydrophobicContact CZ2-CD1 4.21Å; L401-I406 HydrophobicContact CB-CD1 4.22Å; L401-I406 HydrophobicContact CB-CG1 3.59Å; L401-I406 HydrophobicContact CD1-CG1 4.21Å; T402-I406 WeakPolarHBondContact O-CG1 3.44Å; T402-I406 PolarHBondContact O-N 3.34Å; M404-I406 VanDerWaalsContact C-N 3.33Å; M404-I406 PolarHBondContact O-N 3.14Å; I406-Q408 VanDerWaalsContact C-N 3.3Å; I406-Q408 PolarHBondContact O-N 2.98Å; I406-R409 PolarHBondContact O-N 3.23Å; I406-L410 HydrophobicContact CG2-CD1 3.66Å; I406-L410 HydrophobicContact CG2-CG 4.21Å; I406-L410 VanDerWaalsContact O-CG 3.23Å; I406-L410 WeakPolarHBondContact O-CG 3.17Å; I406-L410 PolarHBondContact O-N 3.23Å; I406-L453 HydrophobicContact CD1-CD1 4.49Å; I406-L453 HydrophobicContact CG2-CD1 3.92Å; I406-L453 HydrophobicContact CG2-CD2 4.11Å; I406-L490 HydrophobicContact CG2-CD2 3.94Å; I406-A492 HydrophobicContact CD1-CB 4.05Å; I406-A492 HydrophobicContact CG1-CB 4.25Å; I406-A516 HydrophobicContact CB-CB 4.38Å; I406-A516 HydrophobicContact CD1-CB 4.17Å; I406-A516 HydrophobicContact CG2-CB 3.95Å
407	R	90.4	Very high	93.1	Very high	67 Å²	67	53.5 Å²	53.5	25%	0.253	27%	0.265	S	S	.	.	H	α-helix	trans	-57.5	-45	176.7	-76.2	176	176.1	-92.9	2.4	111.9	G234 P403 M404 R409 L410 V411 I514 A515 G517	G234-R407 VanDerWaalsContact O-CZ 3.3Å; G234-R407 PolarHBondContact O-NE 3.47Å; G234-R407 PolarHBondContact O-NH2 3.25Å; P403-R407 VanDerWaalsContact O-CG 3.31Å; P403-R407 WeakPolarHBondContact O-CG 3.18Å; P403-R407 PolarHBondContact O-N 2.91Å; M404-R407 PolarHBondContact O-N 3.42Å; R407-R409 VanDerWaalsContact C-N 3.34Å; R407-R409 PolarHBondContact O-N 3.32Å; R407-L410 PolarHBondContact O-N 2.94Å; R407-V411 WeakPolarHBondContact O-CG2 3.3Å; R407-V411 PolarHBondContact O-N 2.68Å; R407-I514 PolarHBondContact NH2-O 3.27Å; R407-A515 PolarHBondContact NE-O 3.48Å; R407-A515 PolarHBondContact NH2-O 2.91Å; R407-G517 VanDerWaalsContact CZ-CA 3.44Å
408	Q	88.7	Confident	92.9	Very high	103 Å²	103	52 Å²	52	48%	0.481	26%	0.257	S	S	.	.	H	α-helix	trans	-60.3	-44.7	177.1	179.7	56	34.2	0	0	111.3	M404 E405 I406 L410 V411 E412	M404-Q408 WeakPolarHBondContact O-CB 3.4Å; M404-Q408 PolarHBondContact O-N 2.89Å; E405-Q408 PolarHBondContact O-N 3.23Å; I406-Q408 VanDerWaalsContact C-N 3.3Å; I406-Q408 PolarHBondContact O-N 2.98Å; Q408-L410 PolarHBondContact O-N 2.98Å; Q408-V411 WeakPolarHBondContact O-CB 3.37Å; Q408-V411 PolarHBondContact O-N 3.49Å; Q408-E412 WeakPolarHBondContact CG-OE1 3.32Å; Q408-E412 PolarHBondContact NE2-OE1 2.95Å; Q408-E412 WeakPolarHBondContact O-CG 3.44Å; Q408-E412 PolarHBondContact O-N 3.36Å
409	R	95.5	Very high	92.9	Very high	130 Å²	130	44.8 Å²	44.8	49%	0.491	23%	0.226	S	C	.	.	H	α-helix	trans	-62.4	-40.3	175.6	-69.6	-60.6	-124.1	-162.8	0.7	112.9	L401 E405 I406 R407 V411 E412 M413 L490	L401-R409 HydrophobicContact CD1-CG 4.28Å; E405-R409 VanDerWaalsContact O-CG 3.27Å; E405-R409 WeakPolarHBondContact O-CG 3.22Å; E405-R409 PolarHBondContact O-N 3.31Å; I406-R409 PolarHBondContact O-N 3.23Å; R407-R409 VanDerWaalsContact C-N 3.34Å; R407-R409 PolarHBondContact O-N 3.32Å; R409-V411 VanDerWaalsContact C-N 3.3Å; R409-V411 PolarHBondContact O-N 2.98Å; R409-E412 WeakPolarHBondContact CD-OE2 3.16Å; R409-E412 IonicContact NH1-OE2 2.76Å; R409-E412 PolarHBondContact NH1-OE2 2.82Å; R409-E412 WeakPolarHBondContact O-CB 3.32Å; R409-E412 PolarHBondContact O-N 2.61Å; R409-M413 WeakPolarHBondContact O-CB 3.2Å; R409-M413 WeakPolarHBondContact O-CG 3.42Å; R409-M413 PolarHBondContact O-N 2.78Å; R409-L490 HydrophobicContact CB-CD1 4.33Å; R409-L490 HydrophobicContact CB-CD2 3.9Å
410	L	93.5	Very high	92.8	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.052	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-38	177.2	-68.2	165.1	0	0	0	111.4	I406 R407 Q408 M413 G414 A415 V418 V451 L490	I406-L410 HydrophobicContact CG2-CD1 3.66Å; I406-L410 HydrophobicContact CG2-CG 4.21Å; I406-L410 VanDerWaalsContact O-CG 3.23Å; I406-L410 WeakPolarHBondContact O-CG 3.17Å; I406-L410 PolarHBondContact O-N 3.23Å; R407-L410 PolarHBondContact O-N 2.94Å; Q408-L410 PolarHBondContact O-N 2.98Å; L410-M413 PolarHBondContact O-N 2.81Å; L410-G414 PolarHBondContact O-N 3.41Å; L410-A415 HydrophobicContact CB-CB 4.22Å; L410-A415 HydrophobicContact CD2-CB 4.3Å; L410-A415 VanDerWaalsContact O-CB 3.27Å; L410-A415 WeakPolarHBondContact O-CB 3.43Å; L410-A415 PolarHBondContact O-N 2.95Å; L410-V418 HydrophobicContact CB-CG2 4.5Å; L410-V418 HydrophobicContact CD1-CG1 3.81Å; L410-V418 HydrophobicContact CD1-CG2 4.04Å; L410-V418 HydrophobicContact CD2-CG1 3.86Å; L410-V418 HydrophobicContact CD2-CG2 3.95Å; L410-V418 HydrophobicContact CG-CG1 4.49Å; L410-V418 HydrophobicContact CG-CG2 4.38Å; L410-V451 HydrophobicContact CD2-CB 4.15Å; L410-V451 HydrophobicContact CD2-CG1 3.63Å; L410-L490 HydrophobicContact CD2-CD2 4.03Å; L410-L490 HydrophobicContact CG-CD2 4.07Å
411	V	86.4	Confident	92.4	Very high	87 Å²	87	43 Å²	43	53%	0.527	22%	0.219	S	C	.	.	H	α-helix	trans	-64.6	-46	172.2	172.4	0	0	0	0	111.1	R407 Q408 R409 M413 G414	R407-V411 WeakPolarHBondContact O-CG2 3.3Å; R407-V411 PolarHBondContact O-N 2.68Å; Q408-V411 WeakPolarHBondContact O-CB 3.37Å; Q408-V411 PolarHBondContact O-N 3.49Å; R409-V411 VanDerWaalsContact C-N 3.3Å; R409-V411 PolarHBondContact O-N 2.98Å; V411-M413 VanDerWaalsContact C-N 3.28Å; V411-M413 PolarHBondContact O-N 3.23Å; V411-G414 PolarHBondContact O-N 3.38Å
412	E	91.2	Very high	92	Very high	110 Å²	110	42.8 Å²	42.8	51%	0.514	22%	0.217	S	C	.	.	H	α-helix	trans	-60.2	-37	176.2	-72.8	166.2	-168.9	0	0	112.5	Q408 R409 G414	Q408-E412 WeakPolarHBondContact CG-OE1 3.32Å; Q408-E412 PolarHBondContact NE2-OE1 2.95Å; Q408-E412 WeakPolarHBondContact O-CG 3.44Å; Q408-E412 PolarHBondContact O-N 3.36Å; R409-E412 WeakPolarHBondContact CD-OE2 3.16Å; R409-E412 IonicContact NH1-OE2 2.76Å; R409-E412 PolarHBondContact NH1-OE2 2.82Å; R409-E412 WeakPolarHBondContact O-CB 3.32Å; R409-E412 PolarHBondContact O-N 2.61Å; E412-G414 PolarHBondContact O-N 3.03Å
413	M	94.8	Very high	91.5	Very high	51 Å²	51	42.8 Å²	42.8	25%	0.251	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-7.5	174.9	-69.9	175.8	76.8	0	0	113.3	R409 L410 V411 A415 K449 V451 L490	R409-M413 WeakPolarHBondContact O-CB 3.2Å; R409-M413 WeakPolarHBondContact O-CG 3.42Å; R409-M413 PolarHBondContact O-N 2.78Å; L410-M413 PolarHBondContact O-N 2.81Å; V411-M413 VanDerWaalsContact C-N 3.28Å; V411-M413 PolarHBondContact O-N 3.23Å; M413-A415 VanDerWaalsContact C-N 3.28Å; M413-A415 PolarHBondContact O-N 2.87Å; M413-K449 VanDerWaalsContact O-CE 3.23Å; M413-K449 WeakPolarHBondContact O-CE 3.28Å; M413-V451 HydrophobicContact CE-CG1 3.72Å; M413-V451 HydrophobicContact CE-CG2 4.06Å; M413-V451 HydrophobicContact SD-CG1 4.15Å; M413-L490 HydrophobicContact SD-CB 4.01Å; M413-L490 HydrophobicContact SD-CD1 4.49Å
414	G	88.4	Confident	91.4	Very high	48 Å²	48	44.4 Å²	44.4	50%	0.495	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	26.7	-175.1	0	0	0	0	0	113.3	L410 V411 E412 D416 K449	L410-G414 PolarHBondContact O-N 3.41Å; V411-G414 PolarHBondContact O-N 3.38Å; E412-G414 PolarHBondContact O-N 3.03Å; G414-D416 PolarHBondContact O-N 3.11Å; G414-K449 WeakPolarHBondContact O-CB 3.4Å; G414-K449 WeakPolarHBondContact O-CG 3.43Å
415	A	90.2	Very high	91.4	Very high	20 Å²	20	42.6 Å²	42.6	17%	0.165	22%	0.216	C	C	.	.			trans	-63	127.5	-177.5	0	0	0	0	0	111.2	L410 M413 V418 K449 V451	L410-A415 HydrophobicContact CB-CB 4.22Å; L410-A415 HydrophobicContact CD2-CB 4.3Å; L410-A415 VanDerWaalsContact O-CB 3.27Å; L410-A415 WeakPolarHBondContact O-CB 3.43Å; L410-A415 PolarHBondContact O-N 2.95Å; M413-A415 VanDerWaalsContact C-N 3.28Å; M413-A415 PolarHBondContact O-N 2.87Å; A415-V418 HydrophobicContact CB-CG2 3.92Å; A415-K449 WeakPolarHBondContact CA-O 3.47Å; A415-V451 HydrophobicContact CB-CB 3.9Å; A415-V451 HydrophobicContact CB-CG2 3.53Å
416	D	84.6	Confident	91.4	Very high	42 Å²	42	38.8 Å²	38.8	23%	0.225	20%	0.198	C	C	.	.	S	Bend	trans	-111.3	-12.1	175.7	67.7	-15.2	0	0	0	113.2	G414 F447 K448 K449	G414-D416 PolarHBondContact O-N 3.11Å; D416-F447 WeakPolarHBondContact O-CD1 3.07Å; D416-F447 WeakPolarHBondContact OD2-CA 3.31Å; D416-K448 PolarHBondContact OD1-N 3.31Å; D416-K448 PolarHBondContact OD2-N 3.19Å; D416-K449 PolarHBondContact N-O 3.2Å; D416-K449 VanDerWaalsContact OD1-CA 3.29Å; D416-K449 WeakPolarHBondContact OD1-CA 3.25Å; D416-K449 PolarHBondContact OD1-N 3.37Å; D416-K449 VanDerWaalsContact OD1-O 3.09Å; D416-K449 PolarHBondContact OD2-N 3.43Å
417	A	88	Confident	91.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	140.9	163.2	0	0	0	0	0	108.9	L442 F447 P450 V451 Y520	A417-L442 HydrophobicContact CB-CD1 4.15Å; A417-L442 HydrophobicContact CB-CD2 4.49Å; A417-F447 HydrophobicContact CB-CB 4.17Å; A417-F447 HydrophobicContact CB-CD1 3.61Å; A417-F447 HydrophobicContact CB-CD2 4.01Å; A417-F447 HydrophobicContact CB-CE1 3.94Å; A417-F447 HydrophobicContact CB-CE2 4.34Å; A417-F447 HydrophobicContact CB-CG 3.66Å; A417-F447 HydrophobicContact CB-CZ 4.31Å; A417-P450 HydrophobicContact CB-CB 4.43Å; A417-P450 CarbonylContact O-C 3.57Å; A417-P450 WeakPolarHBondContact O-CA 3.35Å; A417-V451 PolarHBondContact O-N 3.15Å; A417-Y520 HydrophobicContact CB-CE2 4.03Å
418	V	94.7	Very high	91.4	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.024	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	125.5	-178.5	-174.1	0	0	0	0	108.2	L410 A415 V451 L453 I518 H519 Y520	L410-V418 HydrophobicContact CB-CG2 4.5Å; L410-V418 HydrophobicContact CD1-CG1 3.81Å; L410-V418 HydrophobicContact CD1-CG2 4.04Å; L410-V418 HydrophobicContact CD2-CG1 3.86Å; L410-V418 HydrophobicContact CD2-CG2 3.95Å; L410-V418 HydrophobicContact CG-CG1 4.49Å; L410-V418 HydrophobicContact CG-CG2 4.38Å; A415-V418 HydrophobicContact CB-CG2 3.92Å; V418-V451 WeakPolarHBondContact CA-O 3.27Å; V418-L453 HydrophobicContact CG1-CB 4.31Å; V418-I518 HydrophobicContact CG1-CG2 4.08Å; V418-H519 PolarHBondContact N-ND1 3.34Å; V418-H519 VanDerWaalsContact N-ND1 3.15Å; V418-H519 PolarHBondContact O-N 2.89Å; V418-Y520 PolarHBondContact O-N 3.21Å; V418-Y520 VanDerWaalsContact O-N 3.1Å
419	F	96.2	Very high	91.7	Very high	3 Å²	3	34 Å²	34	1%	0.013	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.2	179.5	67	-80.4	0	0	0	110.9	M435 T438 K439 L442 P450 V451 L452 L453 Y520 I522	F419-M435 WeakPolarHBondContact CE2-O 3.38Å; F419-T438 HydrophobicContact CB-CG2 4.17Å; F419-T438 HydrophobicContact CD1-CG2 4.43Å; F419-T438 HydrophobicContact CD2-CG2 3.55Å; F419-T438 HydrophobicContact CE2-CG2 3.93Å; F419-T438 HydrophobicContact CG-CG2 3.81Å; F419-K439 HydrophobicContact CE1-CB 4.23Å; F419-K439 HydrophobicContact CZ-CB 3.93Å; F419-L442 HydrophobicContact CB-CD1 4.28Å; F419-L442 HydrophobicContact CD1-CD1 3.6Å; F419-L442 HydrophobicContact CE1-CD1 4.21Å; F419-L442 HydrophobicContact CG-CD1 4.14Å; F419-P450 HydrophobicContact CE1-CB 4.21Å; F419-V451 VanDerWaalsContact CD1-O 3.28Å; F419-V451 WeakPolarHBondContact CD1-O 3.41Å; F419-V451 PolarHBondContact N-O 2.89Å; F419-L452 HydrophobicContact CD2-CD1 3.89Å; F419-L452 HydrophobicContact CE1-CB 4.08Å; F419-L452 HydrophobicContact CE2-CB 3.91Å; F419-L452 HydrophobicContact CE2-CD1 3.6Å; F419-L452 HydrophobicContact CE2-CG 4.25Å; F419-L452 HydrophobicContact CZ-CB 3.61Å; F419-L452 HydrophobicContact CZ-CD1 4.23Å; F419-L452 HydrophobicContact CZ-CG 4.42Å; F419-L452 WeakPolarHBondContact O-CA 3.47Å; F419-L453 PolarHBondContact O-N 3.16Å; F419-Y520 CarbonylContact C-O 3.56Å; F419-Y520 WeakPolarHBondContact CA-O 3.45Å; F419-I522 HydrophobicContact CD2-CD1 3.83Å; F419-I522 HydrophobicContact CE2-CD1 4.22Å
420	A	96.4	Very high	91.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.1	179.9	0	0	0	0	0	112.2	L453 R513 I518 Y520 Y521 I522	A420-L453 HydrophobicContact CB-CB 4.23Å; A420-R513 HydrophobicContact CB-CB 4.49Å; A420-R513 HydrophobicContact CB-CG 4.12Å; A420-I518 HydrophobicContact CB-CD1 4.26Å; A420-I518 HydrophobicContact CB-CG2 3.84Å; A420-Y520 PolarHBondContact N-O 2.89Å; A420-Y521 HydrophobicContact CB-CD2 4.38Å; A420-I522 PolarHBondContact O-N 3.42Å
421	F	90.3	Very high	91.5	Very high	12 Å²	12	28.9 Å²	28.9	5%	0.053	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.2	168.3	-178.6	-116.3	0	0	0	108.7	L423 H431 M435 I522	F421-L423 HydrophobicContact CD1-CD2 3.46Å; F421-L423 VanDerWaalsContact CD1-CD2 3.46Å; F421-L423 HydrophobicContact CD1-CG 3.79Å; F421-L423 HydrophobicContact CE1-CD2 3.49Å; F421-L423 VanDerWaalsContact CE1-CD2 3.49Å; F421-L423 HydrophobicContact CE1-CG 4.26Å; F421-L423 PolarHBondContact O-N 3.43Å; F421-H431 HydrophobicContact CE1-CB 4.34Å; F421-H431 AromaticContact CE1-CD2 3.8Å; F421-H431 AromaticContact CZ-CD2 3.85Å; F421-M435 HydrophobicContact CB-CG 4.33Å; F421-M435 HydrophobicContact CB-SD 4.3Å; F421-M435 HydrophobicContact CD1-SD 4.33Å; F421-I522 HydrophobicContact CB-CB 4.26Å; F421-I522 HydrophobicContact CB-CD1 4.39Å; F421-I522 HydrophobicContact CD2-CB 3.8Å; F421-I522 HydrophobicContact CD2-CG2 3.65Å; F421-I522 WeakPolarHBondContact CD2-O 3.35Å; F421-I522 HydrophobicContact CE2-CG2 4.14Å; F421-I522 HydrophobicContact CG-CB 4.46Å
422	Q	88.5	Confident	91.9	Very high	25 Å²	25	24.9 Å²	24.9	12%	0.117	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.5	177.4	165.5	64.1	44.8	0	0	110.7	H509 Y521	Q422-H509 HydrophobicContact CG-CB 4.34Å; Q422-H509 VanDerWaalsContact CG-ND1 3.34Å; Q422-H509 WeakPolarHBondContact CG-ND1 3.05Å; Q422-Y521 WeakPolarHBondContact CB-OH 3.38Å
423	L	87.2	Confident	92	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	105.6	-176.3	-71.9	166.4	0	0	0	112	F421 I427 L454 P456 L457	F421-L423 HydrophobicContact CD1-CD2 3.46Å; F421-L423 VanDerWaalsContact CD1-CD2 3.46Å; F421-L423 HydrophobicContact CD1-CG 3.79Å; F421-L423 HydrophobicContact CE1-CD2 3.49Å; F421-L423 VanDerWaalsContact CE1-CD2 3.49Å; F421-L423 HydrophobicContact CE1-CG 4.26Å; F421-L423 PolarHBondContact O-N 3.43Å; L423-I427 HydrophobicContact CD1-CD1 3.71Å; L423-I427 HydrophobicContact CD1-CG1 4.05Å; L423-I427 HydrophobicContact CD2-CD1 4.22Å; L423-I427 HydrophobicContact CD2-CG1 3.61Å; L423-I427 HydrophobicContact CG-CG1 4.46Å; L423-L454 HydrophobicContact CD1-CD1 3.22Å; L423-L454 HydrophobicContact CD1-CG 3.93Å; L423-P456 HydrophobicContact CB-CB 4.29Å; L423-P456 CarbonylContact O-C 3.6Å; L423-P456 WeakPolarHBondContact O-CA 3.49Å; L423-L457 PolarHBondContact O-N 3.47Å
424	R	91.8	Very high	91.9	Very high	34 Å²	34	19.6 Å²	19.6	13%	0.128	11%	0.113	C	C	.	.	S	Bend	trans	-100.3	-34.8	165	174	-169	167.3	-98.6	22.7	111.7	D465 R471 M498 Y500	R424-D465 IonicContact CZ-OD1 2.75Å; R424-D465 IonicContact CZ-OD2 3.83Å; R424-D465 IonicContact NE-OD1 2.74Å; R424-D465 IonicContact NE-OD2 3.62Å; R424-D465 PolarHBondContact NE-OD2 2.94Å; R424-D465 IonicContact NH1-OD1 2.91Å; R424-D465 PolarHBondContact NH1-OD1 2.72Å; R424-D465 IonicContact NH1-OD2 3.23Å; R424-D465 IonicContact NH2-OD1 3.79Å; R424-D465 PolarHBondContact NH2-OD1 3.28Å; R424-D465 IonicContact NH2-OD2 3.03Å; R424-D465 PolarHBondContact NH2-OD2 3.02Å; R424-R471 WeakPolarHBondContact O-CD 3.38Å; R424-R471 PolarHBondContact O-NE 3.07Å; R424-M498 HydrophobicContact CG-SD 4.49Å; R424-Y500 VanDerWaalsContact NE-CE1 3.26Å; R424-Y500 PolarHBondContact NE-OH 2.97Å; R424-Y500 PolarHBondContact NH2-OH 3.3Å
425	N	91.9	Very high	92.2	Very high	62 Å²	62	17.3 Å²	17.3	33%	0.332	9%	0.09	S	C	.	.	S	Bend	trans	-93.2	158.4	-176.8	-64.5	-31	0	0	0	110.8
426	P	94.7	Very high	92.5	Very high	4 Å²	4	19 Å²	19	3%	0.026	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-54.7	149	164.6	-22.4	32.8	0	0	0	112	V466 Q474 M594 L617	P426-V466 HydrophobicContact CG-CB 3.9Å; P426-V466 HydrophobicContact CG-CG1 4.14Å; P426-V466 HydrophobicContact CG-CG2 3.63Å; P426-Q474 HydrophobicContact CB-CG 4.46Å; P426-M594 HydrophobicContact CG-CE 4.15Å; P426-L617 HydrophobicContact CB-CD1 3.68Å; P426-L617 HydrophobicContact CB-CD2 3.93Å; P426-L617 HydrophobicContact CB-CG 4.38Å; P426-L617 HydrophobicContact CG-CD1 4Å; P426-L617 HydrophobicContact CG-CD2 3.64Å; P426-L617 HydrophobicContact CG-CG 4.49Å
427	I	93.9	Very high	93	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-87.3	118.5	-177.4	-64.3	164.5	0	0	0	109.5	L423 H431 M435 L454 Q474 H475 L478 L484	L423-I427 HydrophobicContact CD1-CD1 3.71Å; L423-I427 HydrophobicContact CD1-CG1 4.05Å; L423-I427 HydrophobicContact CD2-CD1 4.22Å; L423-I427 HydrophobicContact CD2-CG1 3.61Å; L423-I427 HydrophobicContact CG-CG1 4.46Å; I427-H431 HydrophobicContact CG2-CB 3.89Å; I427-M435 HydrophobicContact CD1-CE 4.28Å; I427-M435 HydrophobicContact CG1-CE 4.47Å; I427-M435 HydrophobicContact CG2-CE 3.94Å; I427-L454 HydrophobicContact CD1-CD1 3.75Å; I427-L454 HydrophobicContact CD1-CD2 4.35Å; I427-Q474 VanDerWaalsContact N-OE1 3.14Å; I427-Q474 PolarHBondContact O-NE2 3.16Å; I427-H475 VanDerWaalsContact CD1-CE1 3.46Å; I427-H475 WeakPolarHBondContact CD1-CE1 3.47Å; I427-H475 WeakPolarHBondContact CD1-ND1 3.48Å; I427-L478 HydrophobicContact CB-CD1 3.39Å; I427-L478 HydrophobicContact CD1-CD1 3.91Å; I427-L478 HydrophobicContact CG1-CD1 4.25Å; I427-L478 HydrophobicContact CG2-CD1 3.47Å; I427-L478 VanDerWaalsContact CG2-CD1 3.47Å; I427-L484 HydrophobicContact CD1-CD1 4.48Å
428	H	93.4	Very high	93.3	Very high	39 Å²	39	20.6 Å²	20.6	18%	0.181	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-97.8	172.9	165	57.3	66.1	0	0	0	110.2	G430 H431 A432 F608 M609	H428-G430 WeakPolarHBondContact ND1-CA 3.45Å; H428-G430 PolarHBondContact ND1-N 2.83Å; H428-G430 VanDerWaalsContact ND1-N 3.15Å; H428-G430 PolarHBondContact O-N 2.88Å; H428-G430 VanDerWaalsContact O-N 3.11Å; H428-H431 AromaticContact CD2-CE1 3.74Å; H428-H431 AromaticContact CD2-ND1 3.81Å; H428-H431 AromaticContact CE1-CD2 3.86Å; H428-H431 AromaticContact CE1-CE1 3.85Å; H428-H431 AromaticContact CE1-CG 3.86Å; H428-H431 AromaticContact CE1-ND1 3.87Å; H428-H431 AromaticContact CE1-NE2 3.86Å; H428-H431 PolarHBondContact ND1-N 3.43Å; H428-H431 AromaticContact NE2-CE1 3.33Å; H428-H431 PolarHBondContact NE2-CE1 3.44Å; H428-H431 VanDerWaalsContact NE2-CE1 3.33Å; H428-H431 AromaticContact NE2-ND1 3.67Å; H428-H431 AromaticContact NE2-NE2 3.59Å; H428-H431 WeakPolarHBondContact O-CB 3.39Å; H428-H431 PolarHBondContact O-N 2.91Å; H428-A432 PolarHBondContact O-N 3.15Å; H428-A432 VanDerWaalsContact O-N 3.17Å; H428-F608 HydrophobicContact CB-CE1 4.06Å; H428-F608 HydrophobicContact CB-CE2 4.05Å; H428-F608 HydrophobicContact CB-CZ 3.8Å; H428-F608 WeakPolarHBondContact CB-O 3.46Å; H428-M609 HydrophobicContact CB-CE 3.87Å
429	N	94.4	Very high	93.4	Very high	31 Å²	31	21.8 Å²	21.8	17%	0.166	11%	0.11	C	C	.	.	H	α-helix	trans	-64	-22.8	-173.8	-68.7	-7.2	0	0	0	113.1	A432 L433 M575 G607 F608 A610	N429-A432 PolarHBondContact O-N 3.3Å; N429-L433 WeakPolarHBondContact O-CB 3.44Å; N429-L433 PolarHBondContact O-N 2.76Å; N429-M575 HydrophobicContact CB-CB 4.13Å; N429-M575 HydrophobicContact CB-CG 3.66Å; N429-G607 WeakPolarHBondContact CB-O 3.44Å; N429-G607 PolarHBondContact ND2-O 2.95Å; N429-F608 VanDerWaalsContact CB-O 3.3Å; N429-F608 WeakPolarHBondContact CB-O 3.46Å; N429-F608 PolarHBondContact N-O 2.85Å; N429-A610 PolarHBondContact OD1-N 2.86Å
430	G	92.4	Very high	93.4	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-64.7	-38.7	170.3	0	0	0	0	0	113.6	H428 L434 M575	H428-G430 WeakPolarHBondContact ND1-CA 3.45Å; H428-G430 PolarHBondContact ND1-N 2.83Å; H428-G430 VanDerWaalsContact ND1-N 3.15Å; H428-G430 PolarHBondContact O-N 2.88Å; H428-G430 VanDerWaalsContact O-N 3.11Å; G430-L434 WeakPolarHBondContact O-CD1 3.39Å; G430-L434 WeakPolarHBondContact O-CG 3.3Å; G430-L434 PolarHBondContact O-N 2.96Å; G430-M575 VanDerWaalsContact N-CG 3.33Å
431	H	92.6	Very high	93.3	Very high	30 Å²	30	31.5 Å²	31.5	14%	0.139	15%	0.154	C	C	.	.	H	α-helix	trans	-67.2	-41.7	171	-65.1	146.3	0	0	0	110.6	F421 I427 H428 L433 L434 M435	F421-H431 HydrophobicContact CE1-CB 4.34Å; F421-H431 AromaticContact CE1-CD2 3.8Å; F421-H431 AromaticContact CZ-CD2 3.85Å; I427-H431 HydrophobicContact CG2-CB 3.89Å; H428-H431 AromaticContact CD2-CE1 3.74Å; H428-H431 AromaticContact CD2-ND1 3.81Å; H428-H431 AromaticContact CE1-CD2 3.86Å; H428-H431 AromaticContact CE1-CE1 3.85Å; H428-H431 AromaticContact CE1-CG 3.86Å; H428-H431 AromaticContact CE1-ND1 3.87Å; H428-H431 AromaticContact CE1-NE2 3.86Å; H428-H431 PolarHBondContact ND1-N 3.43Å; H428-H431 AromaticContact NE2-CE1 3.33Å; H428-H431 PolarHBondContact NE2-CE1 3.44Å; H428-H431 VanDerWaalsContact NE2-CE1 3.33Å; H428-H431 AromaticContact NE2-ND1 3.67Å; H428-H431 AromaticContact NE2-NE2 3.59Å; H428-H431 WeakPolarHBondContact O-CB 3.39Å; H428-H431 PolarHBondContact O-N 2.91Å; H431-L433 PolarHBondContact O-N 2.87Å; H431-L434 PolarHBondContact O-N 3.31Å; H431-M435 HydrophobicContact CB-CE 4.01Å; H431-M435 VanDerWaalsContact O-CE 3.26Å; H431-M435 WeakPolarHBondContact O-CE 3.26Å; H431-M435 PolarHBondContact O-N 2.78Å
432	A	94.5	Very high	93.3	Very high	3 Å²	3	31 Å²	31	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-61.6	-42.3	177.5	0	0	0	0	0	112.7	H428 N429 L434 M435 N436 I483 L484	H428-A432 PolarHBondContact O-N 3.15Å; H428-A432 VanDerWaalsContact O-N 3.17Å; N429-A432 PolarHBondContact O-N 3.3Å; A432-L434 VanDerWaalsContact C-N 3.32Å; A432-L434 PolarHBondContact O-N 3.01Å; A432-M435 PolarHBondContact O-N 3.43Å; A432-N436 WeakPolarHBondContact O-CB 3.34Å; A432-N436 PolarHBondContact O-N 3.32Å; A432-N436 PolarHBondContact O-ND2 3.19Å; A432-I483 HydrophobicContact CB-CG2 3.52Å; A432-L484 HydrophobicContact CB-CD2 4.29Å
433	L	93.9	Very high	93.5	Very high	41 Å²	41	32.8 Å²	32.8	22%	0.215	16%	0.162	C	C	.	.	H	α-helix	trans	-54	-48.5	175.1	177.1	64	0	0	0	111.2	N429 H431 M435 N436 D437 A566 Y577	N429-L433 WeakPolarHBondContact O-CB 3.44Å; N429-L433 PolarHBondContact O-N 2.76Å; H431-L433 PolarHBondContact O-N 2.87Å; L433-M435 PolarHBondContact O-N 3.41Å; L433-N436 PolarHBondContact O-N 3.27Å; L433-D437 WeakPolarHBondContact O-CB 2.92Å; L433-D437 PolarHBondContact O-N 3.13Å; L433-A566 HydrophobicContact CD2-CB 4.34Å; L433-Y577 HydrophobicContact CD2-CD1 4.23Å; L433-Y577 HydrophobicContact CD2-CE1 4.02Å; L433-Y577 HydrophobicContact CD2-CE2 4.41Å; L433-Y577 HydrophobicContact CD2-CG 4.5Å; L433-Y577 HydrophobicContact CG-CE1 4.28Å
434	L	92.4	Very high	93.7	Very high	9 Å²	9	37.2 Å²	37.2	5%	0.047	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-41.9	179.4	-71.6	158.9	0	0	0	113.1	G430 H431 A432 T438 F563 K564 Y577	G430-L434 WeakPolarHBondContact O-CD1 3.39Å; G430-L434 WeakPolarHBondContact O-CG 3.3Å; G430-L434 PolarHBondContact O-N 2.96Å; H431-L434 PolarHBondContact O-N 3.31Å; A432-L434 VanDerWaalsContact C-N 3.32Å; A432-L434 PolarHBondContact O-N 3.01Å; L434-T438 WeakPolarHBondContact O-CB 3.01Å; L434-T438 PolarHBondContact O-N 3.47Å; L434-T438 VanDerWaalsContact O-N 3.09Å; L434-T438 PolarHBondContact O-OG1 2.95Å; L434-F563 HydrophobicContact CD1-CD2 3.52Å; L434-F563 HydrophobicContact CD1-CE2 3.13Å; L434-F563 HydrophobicContact CD1-CZ 4.09Å; L434-F563 HydrophobicContact CD2-CD2 3.94Å; L434-F563 HydrophobicContact CD2-CE2 4.3Å; L434-F563 HydrophobicContact CG-CD2 4.39Å; L434-F563 HydrophobicContact CG-CE2 4.33Å; L434-K564 WeakPolarHBondContact CD2-O 3.49Å; L434-Y577 HydrophobicContact CD2-CE1 3.7Å; L434-Y577 HydrophobicContact CG-CE1 4.29Å
435	M	95.4	Very high	93.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-68.9	-42.4	179.6	-70.6	-177.8	-81.3	0	0	111.3	F419 F421 I427 H431 A432 L433 T438 K439 L452 L454 L484 I522	F419-M435 WeakPolarHBondContact CE2-O 3.38Å; F421-M435 HydrophobicContact CB-CG 4.33Å; F421-M435 HydrophobicContact CB-SD 4.3Å; F421-M435 HydrophobicContact CD1-SD 4.33Å; I427-M435 HydrophobicContact CD1-CE 4.28Å; I427-M435 HydrophobicContact CG1-CE 4.47Å; I427-M435 HydrophobicContact CG2-CE 3.94Å; H431-M435 HydrophobicContact CB-CE 4.01Å; H431-M435 VanDerWaalsContact O-CE 3.26Å; H431-M435 WeakPolarHBondContact O-CE 3.26Å; H431-M435 PolarHBondContact O-N 2.78Å; A432-M435 PolarHBondContact O-N 3.43Å; L433-M435 PolarHBondContact O-N 3.41Å; M435-T438 PolarHBondContact O-N 3.03Å; M435-K439 PolarHBondContact O-N 2.65Å; M435-K439 VanDerWaalsContact O-N 3.15Å; M435-L452 HydrophobicContact CB-CD2 4.08Å; M435-L452 HydrophobicContact CG-CD1 4.15Å; M435-L452 HydrophobicContact CG-CD2 4.22Å; M435-L452 HydrophobicContact SD-CD1 3.93Å; M435-L452 HydrophobicContact SD-CD2 3.61Å; M435-L452 HydrophobicContact SD-CG 4.41Å; M435-L454 HydrophobicContact CE-CD1 4.43Å; M435-L454 HydrophobicContact SD-CD1 3.86Å; M435-L484 HydrophobicContact CB-CD2 3.9Å; M435-L484 HydrophobicContact CE-CD1 3.92Å; M435-L484 HydrophobicContact CE-CD2 4.17Å; M435-L484 HydrophobicContact SD-CD1 4.22Å; M435-L484 HydrophobicContact SD-CD2 4.42Å; M435-I522 HydrophobicContact CG-CD1 4.39Å
436	N	95.8	Very high	92.8	Very high	54 Å²	54	39.4 Å²	39.4	29%	0.289	22%	0.216	S	C	.	.	H	α-helix	trans	-67.3	-44.6	177.4	-71.6	-25	0	0	0	111.7	A432 L433 T438 K439 E440 I483	A432-N436 WeakPolarHBondContact O-CB 3.34Å; A432-N436 PolarHBondContact O-N 3.32Å; A432-N436 PolarHBondContact O-ND2 3.19Å; L433-N436 PolarHBondContact O-N 3.27Å; N436-T438 VanDerWaalsContact C-N 3.27Å; N436-T438 PolarHBondContact O-N 3.11Å; N436-K439 WeakPolarHBondContact O-CA 3.39Å; N436-K439 WeakPolarHBondContact O-CB 3.18Å; N436-K439 PolarHBondContact O-N 2.84Å; N436-K439 VanDerWaalsContact O-N 3.09Å; N436-E440 PolarHBondContact O-N 3.5Å; N436-I483 PolarHBondContact ND2-O 3.32Å
437	D	94.9	Very high	92.3	Very high	61 Å²	61	42 Å²	42	33%	0.326	23%	0.227	S	C	.	.	H	α-helix	trans	-65.3	-32.7	178.2	-77.7	10.5	0	0	0	112.6	L433 E440 K441 Y577	L433-D437 WeakPolarHBondContact O-CB 2.92Å; L433-D437 PolarHBondContact O-N 3.13Å; D437-E440 PolarHBondContact O-N 2.82Å; D437-K441 WeakPolarHBondContact O-CB 3.48Å; D437-K441 PolarHBondContact O-N 2.81Å; D437-Y577 WeakPolarHBondContact CB-OH 3.45Å; D437-Y577 VanDerWaalsContact CG-OH 3.25Å; D437-Y577 WeakPolarHBondContact OD2-CE2 3.33Å; D437-Y577 PolarHBondContact OD2-OH 3.36Å
438	T	94.9	Very high	92	Very high	15 Å²	15	49.9 Å²	49.9	9%	0.092	26%	0.261	C	S	.	.	H	α-helix	trans	-64.4	-43.8	172.6	-61	0	0	0	0	110.8	F419 L434 M435 N436 K441 L442 I522 L561	F419-T438 HydrophobicContact CB-CG2 4.17Å; F419-T438 HydrophobicContact CD1-CG2 4.43Å; F419-T438 HydrophobicContact CD2-CG2 3.55Å; F419-T438 HydrophobicContact CE2-CG2 3.93Å; F419-T438 HydrophobicContact CG-CG2 3.81Å; L434-T438 WeakPolarHBondContact O-CB 3.01Å; L434-T438 PolarHBondContact O-N 3.47Å; L434-T438 VanDerWaalsContact O-N 3.09Å; L434-T438 PolarHBondContact O-OG1 2.95Å; M435-T438 PolarHBondContact O-N 3.03Å; N436-T438 VanDerWaalsContact C-N 3.27Å; N436-T438 PolarHBondContact O-N 3.11Å; T438-K441 PolarHBondContact O-N 2.91Å; T438-L442 HydrophobicContact CG2-CD1 4.2Å; T438-L442 VanDerWaalsContact O-CG 3.3Å; T438-L442 WeakPolarHBondContact O-CG 3.21Å; T438-L442 PolarHBondContact O-N 3.34Å; T438-I522 HydrophobicContact CG2-CD1 4.01Å; T438-I522 HydrophobicContact CG2-CG1 4.24Å; T438-I522 VanDerWaalsContact OG1-CD1 3.23Å; T438-I522 WeakPolarHBondContact OG1-CD1 3.44Å; T438-L561 HydrophobicContact CG2-CD1 3.5Å; T438-L561 VanDerWaalsContact CG2-CD1 3.5Å
439	K	96.2	Very high	92	Very high	30 Å²	30	50.6 Å²	50.6	13%	0.13	26%	0.264	C	S	.	.	H	α-helix	trans	-57.8	-49.2	173.1	175.2	-179	168.7	-178.4	0	111.2	F419 M435 N436 K441 L442 L443 P450 D485 N488	F419-K439 HydrophobicContact CE1-CB 4.23Å; F419-K439 HydrophobicContact CZ-CB 3.93Å; M435-K439 PolarHBondContact O-N 2.65Å; M435-K439 VanDerWaalsContact O-N 3.15Å; N436-K439 WeakPolarHBondContact O-CA 3.39Å; N436-K439 WeakPolarHBondContact O-CB 3.18Å; N436-K439 PolarHBondContact O-N 2.84Å; N436-K439 VanDerWaalsContact O-N 3.09Å; K439-K441 VanDerWaalsContact C-N 3.35Å; K439-K441 PolarHBondContact O-N 3.33Å; K439-L442 PolarHBondContact O-N 3.17Å; K439-L442 VanDerWaalsContact O-N 3.16Å; K439-L443 HydrophobicContact CG-CD1 4.25Å; K439-L443 WeakPolarHBondContact O-CG 3.41Å; K439-L443 PolarHBondContact O-N 2.86Å; K439-P450 HydrophobicContact CG-CB 4.37Å; K439-D485 IonicContact NZ-OD2 2.75Å; K439-D485 PolarHBondContact NZ-OD2 2.55Å; K439-N488 WeakPolarHBondContact CE-ND2 3.42Å; K439-N488 PolarHBondContact NZ-ND2 3.22Å
440	E	96.2	Very high	92.1	Very high	110 Å²	110	49.1 Å²	49.1	51%	0.514	26%	0.256	S	S	.	.	H	α-helix	trans	-61.8	-40.6	179	-66.5	-51.9	132.7	0	0	112.4	N436 D437 L442 L443 S444	N436-E440 PolarHBondContact O-N 3.5Å; D437-E440 PolarHBondContact O-N 2.82Å; E440-L442 PolarHBondContact O-N 2.73Å; E440-L443 PolarHBondContact O-N 2.8Å; E440-S444 PolarHBondContact O-N 2.86Å
441	K	93.7	Very high	92.4	Very high	97 Å²	97	49.1 Å²	49.1	42%	0.422	26%	0.255	S	S	.	.	H	α-helix	trans	-59.2	-46.6	173.3	-174.2	-173.4	176.3	-163	0	110.8	D437 T438 K439 S444 L445	D437-K441 WeakPolarHBondContact O-CB 3.48Å; D437-K441 PolarHBondContact O-N 2.81Å; T438-K441 PolarHBondContact O-N 2.91Å; K439-K441 VanDerWaalsContact C-N 3.35Å; K439-K441 PolarHBondContact O-N 3.33Å; K441-S444 PolarHBondContact O-N 3.4Å; K441-S444 PolarHBondContact O-OG 3.32Å; K441-L445 WeakPolarHBondContact O-CG 3.31Å; K441-L445 PolarHBondContact O-N 2.93Å; K441-L445 VanDerWaalsContact O-N 3.08Å
442	L	90.6	Very high	92.6	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-64.3	-40.7	178.6	-67.4	172.7	0	0	0	111.9	A417 F419 T438 K439 E440 S444 L445 G446 F447 P450 Y520	A417-L442 HydrophobicContact CB-CD1 4.15Å; A417-L442 HydrophobicContact CB-CD2 4.49Å; F419-L442 HydrophobicContact CB-CD1 4.28Å; F419-L442 HydrophobicContact CD1-CD1 3.6Å; F419-L442 HydrophobicContact CE1-CD1 4.21Å; F419-L442 HydrophobicContact CG-CD1 4.14Å; T438-L442 HydrophobicContact CG2-CD1 4.2Å; T438-L442 VanDerWaalsContact O-CG 3.3Å; T438-L442 WeakPolarHBondContact O-CG 3.21Å; T438-L442 PolarHBondContact O-N 3.34Å; K439-L442 PolarHBondContact O-N 3.17Å; K439-L442 VanDerWaalsContact O-N 3.16Å; E440-L442 PolarHBondContact O-N 2.73Å; L442-S444 VanDerWaalsContact C-N 3.3Å; L442-S444 PolarHBondContact O-N 2.91Å; L442-L445 HydrophobicContact CD2-CD1 4.41Å; L442-L445 PolarHBondContact O-N 3.36Å; L442-L445 VanDerWaalsContact O-N 3.14Å; L442-G446 PolarHBondContact O-N 3.21Å; L442-F447 HydrophobicContact CB-CD2 4Å; L442-F447 HydrophobicContact CD2-CD2 3.9Å; L442-F447 HydrophobicContact CD2-CE2 3.92Å; L442-F447 WeakPolarHBondContact O-CB 3.46Å; L442-F447 VanDerWaalsContact O-CD2 3.3Å; L442-F447 WeakPolarHBondContact O-CD2 3.14Å; L442-F447 PolarHBondContact O-N 3.12Å; L442-P450 HydrophobicContact CB-CB 3.89Å; L442-P450 HydrophobicContact CB-CG 3.68Å; L442-P450 HydrophobicContact CD1-CB 3.95Å; L442-Y520 HydrophobicContact CD1-CD2 4.03Å; L442-Y520 HydrophobicContact CD1-CE2 4.3Å; L442-Y520 HydrophobicContact CD2-CD1 4.14Å; L442-Y520 HydrophobicContact CD2-CD2 3.71Å; L442-Y520 HydrophobicContact CD2-CE1 3.79Å; L442-Y520 HydrophobicContact CD2-CE2 3.33Å; L442-Y520 HydrophobicContact CD2-CG 4.12Å; L442-Y520 HydrophobicContact CG-CE2 4.47Å
443	L	93.2	Very high	92.8	Very high	61 Å²	61	47.7 Å²	47.7	32%	0.319	25%	0.249	S	C	.	.	H	α-helix	trans	-58.6	-42.5	172.3	-69.1	172.6	0	0	0	111.6	K439 E440 L445 G446 F447 P450	K439-L443 HydrophobicContact CG-CD1 4.25Å; K439-L443 WeakPolarHBondContact O-CG 3.41Å; K439-L443 PolarHBondContact O-N 2.86Å; E440-L443 PolarHBondContact O-N 2.8Å; L443-L445 PolarHBondContact O-N 3.11Å; L443-G446 PolarHBondContact O-N 2.94Å; L443-F447 WeakPolarHBondContact CD2-O 3.03Å; L443-P450 HydrophobicContact CD2-CG 3.87Å; L443-P450 HydrophobicContact CG-CG 4.04Å
444	S	90.3	Very high	93	Very high	97 Å²	97	45.8 Å²	45.8	68%	0.678	24%	0.239	S	C	*	.	H	α-helix	trans	-65.4	-26.2	177.6	80.3	0	0	0	0	113.6	E440 K441 L442 G446	E440-S444 PolarHBondContact O-N 2.86Å; K441-S444 PolarHBondContact O-N 3.4Å; K441-S444 PolarHBondContact O-OG 3.32Å; L442-S444 VanDerWaalsContact C-N 3.3Å; L442-S444 PolarHBondContact O-N 2.91Å; S444-G446 PolarHBondContact O-N 2.74Å
445	L	82.8	Confident	93.2	Very high	102 Å²	102	45.4 Å²	45.4	53%	0.534	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-3.2	173.5	-67.2	174.2	0	0	0	113	K441 L442 L443 F447	K441-L445 WeakPolarHBondContact O-CG 3.31Å; K441-L445 PolarHBondContact O-N 2.93Å; K441-L445 VanDerWaalsContact O-N 3.08Å; L442-L445 HydrophobicContact CD2-CD1 4.41Å; L442-L445 PolarHBondContact O-N 3.36Å; L442-L445 VanDerWaalsContact O-N 3.14Å; L443-L445 PolarHBondContact O-N 3.11Å; L445-F447 HydrophobicContact CB-CD2 4.14Å; L445-F447 HydrophobicContact CB-CE2 4.2Å
446	G	82	Confident	93.3	Very high	39 Å²	39	45.3 Å²	45.3	40%	0.402	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.7	-5.2	173.8	0	0	0	0	0	115.2	L442 L443 S444 K448	L442-G446 PolarHBondContact O-N 3.21Å; L443-G446 PolarHBondContact O-N 2.94Å; S444-G446 PolarHBondContact O-N 2.74Å; G446-K448 WeakPolarHBondContact O-CE 3.49Å
447	F	84.8	Confident	93.3	Very high	58 Å²	58	42.8 Å²	42.8	25%	0.254	22%	0.222	S	C	.	.			trans	-59.9	143.5	170.5	-63.3	-72.8	0	0	0	110.2	D416 A417 L442 L443 L445 P450 Y520	D416-F447 WeakPolarHBondContact O-CD1 3.07Å; D416-F447 WeakPolarHBondContact OD2-CA 3.31Å; A417-F447 HydrophobicContact CB-CB 4.17Å; A417-F447 HydrophobicContact CB-CD1 3.61Å; A417-F447 HydrophobicContact CB-CD2 4.01Å; A417-F447 HydrophobicContact CB-CE1 3.94Å; A417-F447 HydrophobicContact CB-CE2 4.34Å; A417-F447 HydrophobicContact CB-CG 3.66Å; A417-F447 HydrophobicContact CB-CZ 4.31Å; L442-F447 HydrophobicContact CB-CD2 4Å; L442-F447 HydrophobicContact CD2-CD2 3.9Å; L442-F447 HydrophobicContact CD2-CE2 3.92Å; L442-F447 WeakPolarHBondContact O-CB 3.46Å; L442-F447 VanDerWaalsContact O-CD2 3.3Å; L442-F447 WeakPolarHBondContact O-CD2 3.14Å; L442-F447 PolarHBondContact O-N 3.12Å; L443-F447 WeakPolarHBondContact CD2-O 3.03Å; L445-F447 HydrophobicContact CB-CD2 4.14Å; L445-F447 HydrophobicContact CB-CE2 4.2Å; F447-P450 HydrophobicContact CB-CG 3.95Å; F447-Y520 HydrophobicContact CE2-CE2 4.37Å; F447-Y520 WeakPolarHBondContact CE2-OH 3.45Å; F447-Y520 HydrophobicContact CZ-CE2 4.45Å; F447-Y520 WeakPolarHBondContact CZ-OH 3.43Å
448	K	88.4	Confident	93.4	Very high	167 Å²	167	40.4 Å²	40.4	73%	0.726	21%	0.213	S	C	*	.	S	Bend	trans	-103.4	-29.9	-174.7	-56.1	-53.8	178.7	-165.3	0	112.6	D416 G446	D416-K448 PolarHBondContact OD1-N 3.31Å; D416-K448 PolarHBondContact OD2-N 3.19Å; G446-K448 WeakPolarHBondContact O-CE 3.49Å
449	K	93.4	Very high	93.5	Very high	54 Å²	54	40.1 Å²	40.1	24%	0.235	21%	0.212	C	C	.	.			trans	-137.5	66.4	-179.5	-169	67.4	174.7	174.9	0	111.1	M413 G414 A415 D416 V451 E487 N488	M413-K449 VanDerWaalsContact O-CE 3.23Å; M413-K449 WeakPolarHBondContact O-CE 3.28Å; G414-K449 WeakPolarHBondContact O-CB 3.4Å; G414-K449 WeakPolarHBondContact O-CG 3.43Å; A415-K449 WeakPolarHBondContact CA-O 3.47Å; D416-K449 PolarHBondContact N-O 3.2Å; D416-K449 VanDerWaalsContact OD1-CA 3.29Å; D416-K449 WeakPolarHBondContact OD1-CA 3.25Å; D416-K449 PolarHBondContact OD1-N 3.37Å; D416-K449 VanDerWaalsContact OD1-O 3.09Å; D416-K449 PolarHBondContact OD2-N 3.43Å; K449-V451 HydrophobicContact CG-CG2 4.26Å; K449-V451 PolarHBondContact O-N 3.32Å; K449-E487 PolarHBondContact NZ-O 3.47Å; K449-N488 WeakPolarHBondContact CE-OD1 3.41Å; K449-N488 PolarHBondContact NZ-OD1 3.19Å
450	P	95.5	Very high	93.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	125.4	167.8	-18.1	31.6	0	0	0	110.4	A417 F419 K439 L442 L443 F447 N488	A417-P450 HydrophobicContact CB-CB 4.43Å; A417-P450 CarbonylContact O-C 3.57Å; A417-P450 WeakPolarHBondContact O-CA 3.35Å; F419-P450 HydrophobicContact CE1-CB 4.21Å; K439-P450 HydrophobicContact CG-CB 4.37Å; L442-P450 HydrophobicContact CB-CB 3.89Å; L442-P450 HydrophobicContact CB-CG 3.68Å; L442-P450 HydrophobicContact CD1-CB 3.95Å; L443-P450 HydrophobicContact CD2-CG 3.87Å; L443-P450 HydrophobicContact CG-CG 4.04Å; F447-P450 HydrophobicContact CB-CG 3.95Å; P450-N488 PolarHBondContact O-ND2 3.01Å
451	V	98.1	Very high	93.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.7	178.2	174.9	0	0	0	0	110.7	L410 M413 A415 A417 V418 F419 K449 N488 L490	L410-V451 HydrophobicContact CD2-CB 4.15Å; L410-V451 HydrophobicContact CD2-CG1 3.63Å; M413-V451 HydrophobicContact CE-CG1 3.72Å; M413-V451 HydrophobicContact CE-CG2 4.06Å; M413-V451 HydrophobicContact SD-CG1 4.15Å; A415-V451 HydrophobicContact CB-CB 3.9Å; A415-V451 HydrophobicContact CB-CG2 3.53Å; A417-V451 PolarHBondContact O-N 3.15Å; V418-V451 WeakPolarHBondContact CA-O 3.27Å; F419-V451 VanDerWaalsContact CD1-O 3.28Å; F419-V451 WeakPolarHBondContact CD1-O 3.41Å; F419-V451 PolarHBondContact N-O 2.89Å; K449-V451 HydrophobicContact CG-CG2 4.26Å; K449-V451 PolarHBondContact O-N 3.32Å; V451-N488 CarbonylContact C-O 3.52Å; V451-N488 WeakPolarHBondContact CA-O 3.32Å; V451-L490 HydrophobicContact CG1-CB 4.34Å
452	L	98.3	Very high	93.7	Very high	4 Å²	4	35 Å²	35	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	119.6	169.5	171.5	61.5	0	0	0	109.4	F419 M435 L454 L484 N488 T489 L490	F419-L452 HydrophobicContact CD2-CD1 3.89Å; F419-L452 HydrophobicContact CE1-CB 4.08Å; F419-L452 HydrophobicContact CE2-CB 3.91Å; F419-L452 HydrophobicContact CE2-CD1 3.6Å; F419-L452 HydrophobicContact CE2-CG 4.25Å; F419-L452 HydrophobicContact CZ-CB 3.61Å; F419-L452 HydrophobicContact CZ-CD1 4.23Å; F419-L452 HydrophobicContact CZ-CG 4.42Å; F419-L452 WeakPolarHBondContact O-CA 3.47Å; M435-L452 HydrophobicContact CB-CD2 4.08Å; M435-L452 HydrophobicContact CG-CD1 4.15Å; M435-L452 HydrophobicContact CG-CD2 4.22Å; M435-L452 HydrophobicContact SD-CD1 3.93Å; M435-L452 HydrophobicContact SD-CD2 3.61Å; M435-L452 HydrophobicContact SD-CG 4.41Å; L452-L454 HydrophobicContact CD2-CB 4.38Å; L452-L454 HydrophobicContact CD2-CD1 4.1Å; L452-L454 HydrophobicContact CG-CB 4.26Å; L452-L454 PolarHBondContact O-N 3.01Å; L452-L484 HydrophobicContact CD2-CD1 3.99Å; L452-L484 HydrophobicContact CD2-CD2 4.16Å; L452-N488 PolarHBondContact N-O 2.68Å; L452-T489 HydrophobicContact CB-CG2 4.3Å; L452-T489 HydrophobicContact CD2-CG2 3.9Å; L452-T489 HydrophobicContact CG-CG2 4.11Å; L452-T489 CarbonylContact O-C 3.58Å; L452-T489 WeakPolarHBondContact O-CA 3.42Å; L452-L490 PolarHBondContact O-N 3.49Å
453	L	98	Very high	93.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	92.1	162.8	-179.6	58.1	0	0	0	108.3	I406 V418 F419 A420 H455 L490 A492 R513 A516 I518	I406-L453 HydrophobicContact CD1-CD1 4.49Å; I406-L453 HydrophobicContact CG2-CD1 3.92Å; I406-L453 HydrophobicContact CG2-CD2 4.11Å; V418-L453 HydrophobicContact CG1-CB 4.31Å; F419-L453 PolarHBondContact O-N 3.16Å; A420-L453 HydrophobicContact CB-CB 4.23Å; L453-H455 HydrophobicContact CG-CB 4Å; L453-H455 PolarHBondContact O-N 3.49Å; L453-L490 HydrophobicContact CD1-CB 4.38Å; L453-L490 HydrophobicContact CD1-CD2 4.09Å; L453-L490 HydrophobicContact CD1-CG 4.14Å; L453-A492 HydrophobicContact CD1-CB 4.29Å; L453-R513 HydrophobicContact CD2-CG 4.27Å; L453-A516 HydrophobicContact CD2-CB 3.81Å; L453-I518 HydrophobicContact CD2-CG2 3.88Å
454	L	97.5	Very high	93.6	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	99.6	176.8	-170.6	71.6	0	0	0	108.5	L423 I427 M435 L452 P456 H475 L484 T489 L490 L491 A492	L423-L454 HydrophobicContact CD1-CD1 3.22Å; L423-L454 HydrophobicContact CD1-CG 3.93Å; I427-L454 HydrophobicContact CD1-CD1 3.75Å; I427-L454 HydrophobicContact CD1-CD2 4.35Å; M435-L454 HydrophobicContact CE-CD1 4.43Å; M435-L454 HydrophobicContact SD-CD1 3.86Å; L452-L454 HydrophobicContact CD2-CB 4.38Å; L452-L454 HydrophobicContact CD2-CD1 4.1Å; L452-L454 HydrophobicContact CG-CB 4.26Å; L452-L454 PolarHBondContact O-N 3.01Å; L454-P456 VanDerWaalsContact C-CD 3.47Å; L454-P456 VanDerWaalsContact O-CD 3.25Å; L454-P456 WeakPolarHBondContact O-CD 3.38Å; L454-H475 HydrophobicContact CD2-CB 4.08Å; L454-L484 HydrophobicContact CD1-CD1 3.94Å; L454-L484 HydrophobicContact CD2-CD1 4.18Å; L454-T489 HydrophobicContact CB-CG2 3.58Å; L454-T489 HydrophobicContact CD2-CG2 4.1Å; L454-T489 HydrophobicContact CG-CG2 4.4Å; L454-L490 PolarHBondContact N-O 3.1Å; L454-L491 HydrophobicContact CB-CD1 4.48Å; L454-L491 HydrophobicContact CD2-CD1 4.1Å; L454-L491 HydrophobicContact CG-CD1 4.24Å; L454-L491 WeakPolarHBondContact O-CA 3.36Å; L454-L491 WeakPolarHBondContact O-CD1 3.33Å; L454-A492 PolarHBondContact O-N 3.25Å; L454-A492 VanDerWaalsContact O-N 3.12Å
455	H	97	Very high	93.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	67.7	-157.9	-153.3	-168.2	0	0	0	113.7	W277 L453 A492 F494 R513	W277-H455 AromaticContact CH2-CE1 3.31Å; W277-H455 WeakPolarHBondContact CH2-CE1 3.49Å; W277-H455 AromaticContact CH2-NE2 3.65Å; W277-H455 AromaticContact CZ3-CE1 3.62Å; L453-H455 HydrophobicContact CG-CB 4Å; L453-H455 PolarHBondContact O-N 3.49Å; H455-A492 WeakPolarHBondContact CA-O 3.26Å; H455-A492 PolarHBondContact CD2-O 2.94Å; H455-F494 PolarHBondContact CD2-N 3.13Å; H455-F494 WeakPolarHBondContact NE2-CA 3.08Å; H455-F494 WeakPolarHBondContact NE2-CB 3.08Å; H455-F494 PolarHBondContact NE2-N 3.39Å; H455-R513 WeakPolarHBondContact ND1-CG 3.32Å; H455-R513 PolarHBondContact ND1-NE 2.74Å; H455-R513 PolarHBondContact O-NH2 3.42Å; H455-R513 VanDerWaalsContact O-NH2 3.13Å
456	P	97	Very high	94.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	144	177.6	23.7	-37.2	0	0	0	113.8	L423 L454 G458 I472 L491 A492 F494	L423-P456 HydrophobicContact CB-CB 4.29Å; L423-P456 CarbonylContact O-C 3.6Å; L423-P456 WeakPolarHBondContact O-CA 3.49Å; L454-P456 VanDerWaalsContact C-CD 3.47Å; L454-P456 VanDerWaalsContact O-CD 3.25Å; L454-P456 WeakPolarHBondContact O-CD 3.38Å; P456-G458 PolarHBondContact O-N 3.05Å; P456-I472 HydrophobicContact CG-CD1 3.65Å; P456-L491 HydrophobicContact CG-CD1 3.98Å; P456-A492 WeakPolarHBondContact CD-O 3.08Å; P456-F494 PolarHBondContact O-N 3.29Å
457	L	96.9	Very high	94.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-69.4	128.4	171.7	-166.8	137.8	0	0	0	110.3	L423 T461 R471 S496 M498	L423-L457 PolarHBondContact O-N 3.47Å; L457-T461 HydrophobicContact CD2-CG2 3.87Å; L457-R471 VanDerWaalsContact O-CZ 3.3Å; L457-R471 PolarHBondContact O-NH1 2.87Å; L457-R471 PolarHBondContact O-NH2 3.19Å; L457-S496 WeakPolarHBondContact CD2-O 3.43Å; L457-S496 WeakPolarHBondContact CG-O 3.5Å; L457-M498 HydrophobicContact CD1-CB 4.05Å; L457-M498 HydrophobicContact CD1-SD 3.9Å; L457-M498 HydrophobicContact CD2-CB 3.77Å
458	G	96.9	Very high	95.5	Very high	12 Å²	12	34.5 Å²	34.5	12%	0.124	17%	0.169	C	C	.	.			trans	-113.3	-8.1	-174	0	0	0	0	0	115.7	P456 F494	P456-G458 PolarHBondContact O-N 3.05Å; G458-F494 WeakPolarHBondContact CA-O 3.02Å; G458-F494 PolarHBondContact N-O 3Å
459	G	97	Very high	95.9	Very high	8 Å²	8	29.1 Å²	29.1	8%	0.082	16%	0.156	C	C	.	.	S	Bend	trans	-77	-168.3	172.8	0	0	0	0	0	112.8	P495 S496	G459-P495 WeakPolarHBondContact CA-O 3.19Å; G459-P495 PolarHBondContact N-O 3.26Å; G459-S496 VanDerWaalsContact CA-O 3.29Å; G459-S496 WeakPolarHBondContact CA-O 3.37Å; G459-S496 PolarHBondContact N-O 3.32Å; G459-S496 VanDerWaalsContact N-O 3.12Å
460	W	97.8	Very high	96.1	Very high	63 Å²	63	27.3 Å²	27.3	24%	0.239	15%	0.149	C	C	.	.			trans	-56.4	138.9	178.1	176.9	89.4	0	0	0	111.7	I265 P367 M371 K462 P497 M498 Y500	I265-W460 HydrophobicContact CD1-CB 4.25Å; I265-W460 HydrophobicContact CD1-CD2 4.29Å; I265-W460 HydrophobicContact CD1-CG 3.95Å; I265-W460 HydrophobicContact CG1-CB 3.96Å; I265-W460 HydrophobicContact CG1-CG 4.17Å; P367-W460 HydrophobicContact CB-CH2 3.84Å; P367-W460 HydrophobicContact CG-CH2 4.15Å; M371-W460 HydrophobicContact CE-CD2 4.04Å; M371-W460 VanDerWaalsContact CE-CE2 3.4Å; M371-W460 HydrophobicContact CE-CE3 4.38Å; M371-W460 HydrophobicContact CE-CH2 3.68Å; M371-W460 HydrophobicContact CE-CZ2 3.22Å; M371-W460 HydrophobicContact CE-CZ3 4.21Å; M371-W460 HydrophobicContact SD-CH2 4.4Å; M371-W460 HydrophobicContact SD-CZ2 4.42Å; M371-W460 HydrophobicContact SD-CZ3 4.45Å; W460-K462 HydrophobicContact CH2-CB 4.05Å; W460-K462 HydrophobicContact CZ2-CB 4.33Å; W460-P497 HydrophobicContact CB-CB 4.35Å; W460-M498 WeakPolarHBondContact CZ3-O 3.46Å; W460-M498 WeakPolarHBondContact O-CB 3.45Å; W460-M498 PolarHBondContact O-N 2.97Å; W460-Y500 HydrophobicContact CH2-CE2 4.14Å; W460-Y500 HydrophobicContact CZ3-CD2 4.33Å; W460-Y500 AromaticContact CZ3-CE2 3.76Å; W460-Y500 HydrophobicContact CZ3-CE2 3.76Å
461	T	97.4	Very high	96.2	Very high	25 Å²	25	27.4 Å²	27.4	15%	0.153	15%	0.15	C	C	.	.			trans	-131.3	160.8	171.8	58.4	0	0	0	0	108.9	L457 D465 M498	L457-T461 HydrophobicContact CD2-CG2 3.87Å; T461-D465 WeakPolarHBondContact CB-OD2 3.43Å; T461-M498 HydrophobicContact CG2-CB 4.14Å
462	K	95	Very high	96.2	Very high	42 Å²	42	27.5 Å²	27.5	18%	0.183	15%	0.15	C	C	.	.			trans	-69.3	159.5	178.3	64.4	175.6	-175.9	130.2	0	110.7	P367 W460 D464 D465 Y500 I530	P367-K462 HydrophobicContact CG-CB 4.48Å; W460-K462 HydrophobicContact CH2-CB 4.05Å; W460-K462 HydrophobicContact CZ2-CB 4.33Å; K462-D464 VanDerWaalsContact C-N 3.29Å; K462-D464 WeakPolarHBondContact CD-OD1 3.46Å; K462-D464 WeakPolarHBondContact CE-OD1 3.37Å; K462-D464 WeakPolarHBondContact CG-OD1 3.5Å; K462-D464 IonicContact NZ-OD1 3.77Å; K462-D464 PolarHBondContact NZ-OD1 3.23Å; K462-D464 IonicContact NZ-OD2 2.7Å; K462-D464 PolarHBondContact NZ-OD2 3.25Å; K462-D464 PolarHBondContact O-N 3.38Å; K462-D465 WeakPolarHBondContact O-CB 3.4Å; K462-D465 PolarHBondContact O-N 3.12Å; K462-D465 VanDerWaalsContact O-N 3.11Å; K462-Y500 HydrophobicContact CB-CE2 4.09Å; K462-Y500 HydrophobicContact CD-CE1 4.15Å; K462-Y500 HydrophobicContact CD-CE2 4.42Å; K462-Y500 HydrophobicContact CG-CE1 4.24Å; K462-Y500 HydrophobicContact CG-CE2 4.14Å; K462-Y500 WeakPolarHBondContact CG-OH 3.48Å; K462-Y500 PolarHBondContact N-OH 3.33Å; K462-Y500 VanDerWaalsContact N-OH 3.11Å; K462-I530 HydrophobicContact CD-CD1 4.13Å
463	E	91.3	Very high	96.2	Very high	197 Å²	197	32.4 Å²	32.4	92%	0.921	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.2	-167	-63.1	-178.1	173.2	0	0	115	D465	E463-D465 PolarHBondContact O-N 3.15Å
464	D	89.7	Confident	96.1	Very high	75 Å²	75	32.4 Å²	32.4	40%	0.401	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	0.8	-179.8	65.3	-52.8	0	0	0	113.9	K462	K462-D464 VanDerWaalsContact C-N 3.29Å; K462-D464 WeakPolarHBondContact CD-OD1 3.46Å; K462-D464 WeakPolarHBondContact CE-OD1 3.37Å; K462-D464 WeakPolarHBondContact CG-OD1 3.5Å; K462-D464 IonicContact NZ-OD1 3.77Å; K462-D464 PolarHBondContact NZ-OD1 3.23Å; K462-D464 IonicContact NZ-OD2 2.7Å; K462-D464 PolarHBondContact NZ-OD2 3.25Å; K462-D464 PolarHBondContact O-N 3.38Å
465	D	92.8	Very high	96.1	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.032	17%	0.173	C	C	.	.	S	Bend	trans	-81.1	152.4	175.3	-71.3	-26.4	0	0	0	114.7	R424 T461 K462 E463 P467 Y500	R424-D465 IonicContact CZ-OD1 2.75Å; R424-D465 IonicContact CZ-OD2 3.83Å; R424-D465 IonicContact NE-OD1 2.74Å; R424-D465 IonicContact NE-OD2 3.62Å; R424-D465 PolarHBondContact NE-OD2 2.94Å; R424-D465 IonicContact NH1-OD1 2.91Å; R424-D465 PolarHBondContact NH1-OD1 2.72Å; R424-D465 IonicContact NH1-OD2 3.23Å; R424-D465 IonicContact NH2-OD1 3.79Å; R424-D465 PolarHBondContact NH2-OD1 3.28Å; R424-D465 IonicContact NH2-OD2 3.03Å; R424-D465 PolarHBondContact NH2-OD2 3.02Å; T461-D465 WeakPolarHBondContact CB-OD2 3.43Å; K462-D465 WeakPolarHBondContact O-CB 3.4Å; K462-D465 PolarHBondContact O-N 3.12Å; K462-D465 VanDerWaalsContact O-N 3.11Å; E463-D465 PolarHBondContact O-N 3.15Å; D465-P467 WeakPolarHBondContact O-CD 3.46Å; D465-Y500 PolarHBondContact OD2-OH 3.12Å
466	V	94	Very high	96.2	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.018	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-67.8	122.3	170.7	-177.3	0	0	0	0	108.7	P426 V470 R471 L617 Y621	P426-V466 HydrophobicContact CG-CB 3.9Å; P426-V466 HydrophobicContact CG-CG1 4.14Å; P426-V466 HydrophobicContact CG-CG2 3.63Å; V466-V470 HydrophobicContact CG1-CB 3.69Å; V466-V470 HydrophobicContact CG1-CG1 3.56Å; V466-R471 HydrophobicContact CB-CG 4.1Å; V466-R471 HydrophobicContact CG1-CG 3.87Å; V466-R471 WeakPolarHBondContact O-CD 3.43Å; V466-R471 PolarHBondContact O-NE 3.45Å; V466-L617 HydrophobicContact CG1-CD2 3.96Å; V466-L617 HydrophobicContact CG2-CD2 4.37Å; V466-Y621 HydrophobicContact CG2-CE2 4.26Å; V466-Y621 WeakPolarHBondContact CG2-OH 3.39Å
467	P	95.7	Very high	96.2	Very high	46 Å²	46	36 Å²	36	30%	0.299	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-57.6	153.5	-179.2	-26.7	35.3	0	0	0	112.7	D465 A469 V470 R471 Y620	D465-P467 WeakPolarHBondContact O-CD 3.46Å; P467-A469 PolarHBondContact O-N 3.49Å; P467-V470 HydrophobicContact CB-CG2 4.41Å; P467-V470 PolarHBondContact O-N 3.06Å; P467-R471 PolarHBondContact O-N 3.45Å; P467-Y620 WeakPolarHBondContact CD-OH 3.45Å; P467-Y620 HydrophobicContact CG-CE1 4.49Å; P467-Y620 HydrophobicContact CG-CE2 3.91Å; P467-Y620 WeakPolarHBondContact CG-OH 3.41Å
468	L	97.3	Very high	96.2	Very high	21 Å²	21	36 Å²	36	11%	0.11	19%	0.193	C	C	.	.	H	α-helix	trans	-53.9	-47.3	-178.1	178.2	61.8	0	0	0	113.2	L396 V470 R471 I472 I493	L396-L468 HydrophobicContact CD1-CD2 3.97Å; L396-L468 HydrophobicContact CD1-CG 3.88Å; L468-V470 VanDerWaalsContact C-N 3.29Å; L468-V470 PolarHBondContact O-N 2.91Å; L468-R471 WeakPolarHBondContact O-CB 3.43Å; L468-R471 PolarHBondContact O-N 3.05Å; L468-R471 VanDerWaalsContact O-N 3.07Å; L468-I472 HydrophobicContact CD1-CD1 4.29Å; L468-I472 HydrophobicContact CD1-CG1 3.95Å; L468-I472 HydrophobicContact CG-CG1 4.27Å; L468-I472 WeakPolarHBondContact O-CG1 3.46Å; L468-I472 PolarHBondContact O-N 2.94Å; L468-I493 HydrophobicContact CD1-CD1 4.45Å; L468-I493 HydrophobicContact CD1-CG1 4.48Å; L468-I493 HydrophobicContact CD2-CD1 4.14Å; L468-I493 HydrophobicContact CD2-CG2 4.26Å
469	A	97.4	Very high	96.2	Very high	54 Å²	54	36.5 Å²	36.5	45%	0.446	19%	0.193	S	C	.	.	H	α-helix	trans	-56.4	-43.8	-179.3	0	0	0	0	0	112.4	L396 P467 I472 E473	L396-A469 HydrophobicContact CD1-CB 4.14Å; P467-A469 PolarHBondContact O-N 3.49Å; A469-I472 PolarHBondContact O-N 3.46Å; A469-E473 WeakPolarHBondContact O-CB 3.46Å; A469-E473 PolarHBondContact O-N 2.97Å
470	V	97.3	Very high	96.2	Very high	17 Å²	17	42.1 Å²	42.1	10%	0.103	22%	0.217	C	C	.	.	H	α-helix	trans	-67.2	-39	177.9	-177.3	0	0	0	0	110.7	V466 P467 L468 Q474 V616 L617 Y620	V466-V470 HydrophobicContact CG1-CB 3.69Å; V466-V470 HydrophobicContact CG1-CG1 3.56Å; P467-V470 HydrophobicContact CB-CG2 4.41Å; P467-V470 PolarHBondContact O-N 3.06Å; L468-V470 VanDerWaalsContact C-N 3.29Å; L468-V470 PolarHBondContact O-N 2.91Å; V470-Q474 WeakPolarHBondContact O-CB 3.39Å; V470-Q474 PolarHBondContact O-N 2.96Å; V470-V616 HydrophobicContact CG1-CG1 3.93Å; V470-L617 HydrophobicContact CG1-CD2 4.08Å; V470-Y620 HydrophobicContact CB-CG 4.46Å; V470-Y620 HydrophobicContact CG1-CD1 4.3Å; V470-Y620 HydrophobicContact CG1-CG 3.96Å; V470-Y620 HydrophobicContact CG2-CD1 4.47Å; V470-Y620 HydrophobicContact CG2-CD2 3.51Å; V470-Y620 HydrophobicContact CG2-CE2 3.99Å; V470-Y620 HydrophobicContact CG2-CG 3.78Å
471	R	97.4	Very high	96.1	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-43.1	174.9	-70.2	-175.6	-74.6	115.7	-8.3	111.9	R424 L457 V466 P467 L468 Q474 H475	R424-R471 WeakPolarHBondContact O-CD 3.38Å; R424-R471 PolarHBondContact O-NE 3.07Å; L457-R471 VanDerWaalsContact O-CZ 3.3Å; L457-R471 PolarHBondContact O-NH1 2.87Å; L457-R471 PolarHBondContact O-NH2 3.19Å; V466-R471 HydrophobicContact CB-CG 4.1Å; V466-R471 HydrophobicContact CG1-CG 3.87Å; V466-R471 WeakPolarHBondContact O-CD 3.43Å; V466-R471 PolarHBondContact O-NE 3.45Å; P467-R471 PolarHBondContact O-N 3.45Å; L468-R471 WeakPolarHBondContact O-CB 3.43Å; L468-R471 PolarHBondContact O-N 3.05Å; L468-R471 VanDerWaalsContact O-N 3.07Å; R471-Q474 WeakPolarHBondContact O-CB 3.32Å; R471-Q474 PolarHBondContact O-N 2.96Å; R471-H475 WeakPolarHBondContact O-CB 3.43Å; R471-H475 PolarHBondContact O-CE1 3.3Å; R471-H475 PolarHBondContact O-N 3.01Å; R471-H475 PolarHBondContact O-ND1 2.92Å
472	I	97.9	Very high	96.1	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.015	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-46.7	177.2	-66.2	-64.4	0	0	0	110.9	L396 Y399 P456 L468 A469 Q474 H475 L476 L491 I493	L396-I472 HydrophobicContact CD1-CG1 4.46Å; L396-I472 HydrophobicContact CD2-CB 4.33Å; L396-I472 HydrophobicContact CD2-CG1 4.49Å; L396-I472 HydrophobicContact CD2-CG2 4.1Å; Y399-I472 HydrophobicContact CD2-CG2 4Å; Y399-I472 HydrophobicContact CE2-CG2 3.77Å; P456-I472 HydrophobicContact CG-CD1 3.65Å; L468-I472 HydrophobicContact CD1-CD1 4.29Å; L468-I472 HydrophobicContact CD1-CG1 3.95Å; L468-I472 HydrophobicContact CG-CG1 4.27Å; L468-I472 WeakPolarHBondContact O-CG1 3.46Å; L468-I472 PolarHBondContact O-N 2.94Å; A469-I472 PolarHBondContact O-N 3.46Å; I472-Q474 VanDerWaalsContact C-N 3.28Å; I472-Q474 PolarHBondContact O-N 3.41Å; I472-H475 PolarHBondContact O-N 3.42Å; I472-H475 VanDerWaalsContact O-N 3.15Å; I472-L476 HydrophobicContact CG2-CD1 4.18Å; I472-L476 WeakPolarHBondContact O-CG 3.38Å; I472-L476 PolarHBondContact O-N 3.27Å; I472-L491 HydrophobicContact CD1-CD1 4.07Å; I472-I493 HydrophobicContact CD1-CD1 4.03Å; I472-I493 HydrophobicContact CD1-CG1 3.8Å; I472-I493 HydrophobicContact CG1-CD1 4.19Å; I472-I493 HydrophobicContact CG1-CG1 4.48Å
473	E	98.1	Very high	96.1	Very high	107 Å²	107	48.5 Å²	48.5	50%	0.5	25%	0.248	S	C	.	.	H	α-helix	trans	-57.2	-43.5	174.1	-172.1	-174	166	0	0	111.4	A469 H475 L476 A477 V616	A469-E473 WeakPolarHBondContact O-CB 3.46Å; A469-E473 PolarHBondContact O-N 2.97Å; E473-H475 VanDerWaalsContact C-N 3.34Å; E473-H475 PolarHBondContact O-N 2.9Å; E473-L476 PolarHBondContact O-N 3.37Å; E473-A477 PolarHBondContact O-N 2.93Å; E473-V616 HydrophobicContact CB-CG1 3.93Å; E473-V616 HydrophobicContact CG-CG1 3.83Å; E473-V616 HydrophobicContact CG-CG2 3.86Å
474	Q	97.4	Very high	96.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-36.8	177.2	-171	-88.4	-19	0	0	112.7	P426 I427 V470 R471 I472 A477 L478 A613 V616 L617	P426-Q474 HydrophobicContact CB-CG 4.46Å; I427-Q474 VanDerWaalsContact N-OE1 3.14Å; I427-Q474 PolarHBondContact O-NE2 3.16Å; V470-Q474 WeakPolarHBondContact O-CB 3.39Å; V470-Q474 PolarHBondContact O-N 2.96Å; R471-Q474 WeakPolarHBondContact O-CB 3.32Å; R471-Q474 PolarHBondContact O-N 2.96Å; I472-Q474 VanDerWaalsContact C-N 3.28Å; I472-Q474 PolarHBondContact O-N 3.41Å; Q474-A477 PolarHBondContact O-N 3.44Å; Q474-L478 WeakPolarHBondContact O-CG 3.24Å; Q474-L478 PolarHBondContact O-N 3.12Å; Q474-A613 HydrophobicContact CG-CB 4.04Å; Q474-A613 WeakPolarHBondContact CG-O 3.08Å; Q474-V616 HydrophobicContact CB-CB 4.33Å; Q474-V616 HydrophobicContact CB-CG1 4.01Å; Q474-L617 HydrophobicContact CG-CD2 4.37Å; Q474-L617 HydrophobicContact CG-CG 4.25Å
475	H	97.6	Very high	96.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69.7	-40.6	175.7	-64.4	0.7	0	0	0	111.8	I427 L454 R471 I472 E473 A477 L478 L479 L491	I427-H475 VanDerWaalsContact CD1-CE1 3.46Å; I427-H475 WeakPolarHBondContact CD1-CE1 3.47Å; I427-H475 WeakPolarHBondContact CD1-ND1 3.48Å; L454-H475 HydrophobicContact CD2-CB 4.08Å; R471-H475 WeakPolarHBondContact O-CB 3.43Å; R471-H475 PolarHBondContact O-CE1 3.3Å; R471-H475 PolarHBondContact O-N 3.01Å; R471-H475 PolarHBondContact O-ND1 2.92Å; I472-H475 PolarHBondContact O-N 3.42Å; I472-H475 VanDerWaalsContact O-N 3.15Å; E473-H475 VanDerWaalsContact C-N 3.34Å; E473-H475 PolarHBondContact O-N 2.9Å; H475-A477 VanDerWaalsContact C-N 3.3Å; H475-A477 PolarHBondContact O-N 2.92Å; H475-L478 WeakPolarHBondContact O-CB 3.39Å; H475-L478 PolarHBondContact O-N 3.02Å; H475-L479 WeakPolarHBondContact O-CG 3.45Å; H475-L479 PolarHBondContact O-N 3.44Å; H475-L479 VanDerWaalsContact O-N 3.12Å; H475-L491 HydrophobicContact CB-CD1 4.48Å; H475-L491 HydrophobicContact CB-CD2 4.37Å
476	L	97.9	Very high	96.9	Very high	68 Å²	68	40.3 Å²	40.3	36%	0.356	21%	0.214	S	C	.	.	H	α-helix	trans	-60.9	-41.3	174.3	-68.1	169.1	0	0	0	111.3	Y399 I472 E473 L478 L479 E480 L491	Y399-L476 HydrophobicContact CE1-CD2 4.46Å; Y399-L476 WeakPolarHBondContact OH-CD1 3.49Å; I472-L476 HydrophobicContact CG2-CD1 4.18Å; I472-L476 WeakPolarHBondContact O-CG 3.38Å; I472-L476 PolarHBondContact O-N 3.27Å; E473-L476 PolarHBondContact O-N 3.37Å; L476-L478 VanDerWaalsContact C-N 3.29Å; L476-L478 PolarHBondContact O-N 3.04Å; L476-L479 PolarHBondContact O-N 3.08Å; L476-E480 WeakPolarHBondContact O-CB 3.32Å; L476-E480 PolarHBondContact O-N 3.01Å; L476-L491 HydrophobicContact CD2-CD2 3.96Å; L476-L491 HydrophobicContact CG-CD2 4.29Å
477	A	98.1	Very high	97	Very high	9 Å²	9	46.8 Å²	46.8	7%	0.074	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-36.7	175.7	0	0	0	0	0	112.8	E473 Q474 H475 E480 D481 K612 A613 V616	E473-A477 PolarHBondContact O-N 2.93Å; Q474-A477 PolarHBondContact O-N 3.44Å; H475-A477 VanDerWaalsContact C-N 3.3Å; H475-A477 PolarHBondContact O-N 2.92Å; A477-E480 PolarHBondContact O-N 2.93Å; A477-D481 WeakPolarHBondContact O-CB 3.1Å; A477-D481 PolarHBondContact O-N 3.16Å; A477-K612 HydrophobicContact CB-CB 3.9Å; A477-A613 HydrophobicContact CB-CB 4.3Å; A477-V616 HydrophobicContact CB-CG2 4.33Å
478	L	96.4	Very high	97.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-69	-37.3	176.2	-71.1	165	0	0	0	113.2	I427 Q474 H475 L476 K482 I483 A610 A613	I427-L478 HydrophobicContact CB-CD1 3.39Å; I427-L478 HydrophobicContact CD1-CD1 3.91Å; I427-L478 HydrophobicContact CG1-CD1 4.25Å; I427-L478 HydrophobicContact CG2-CD1 3.47Å; I427-L478 VanDerWaalsContact CG2-CD1 3.47Å; Q474-L478 WeakPolarHBondContact O-CG 3.24Å; Q474-L478 PolarHBondContact O-N 3.12Å; H475-L478 WeakPolarHBondContact O-CB 3.39Å; H475-L478 PolarHBondContact O-N 3.02Å; L476-L478 VanDerWaalsContact C-N 3.29Å; L476-L478 PolarHBondContact O-N 3.04Å; L478-K482 PolarHBondContact O-N 3.48Å; L478-I483 HydrophobicContact CB-CB 4.43Å; L478-I483 HydrophobicContact CD2-CB 3.97Å; L478-I483 HydrophobicContact CD2-CG1 4.1Å; L478-I483 HydrophobicContact CD2-CG2 3.89Å; L478-I483 PolarHBondContact O-N 3.38Å; L478-A610 HydrophobicContact CD2-CB 3.64Å; L478-A613 HydrophobicContact CD1-CB 4.48Å; L478-A613 HydrophobicContact CD2-CB 3.66Å; L478-A613 HydrophobicContact CG-CB 3.71Å
479	L	97	Very high	97.1	Very high	21 Å²	21	45.1 Å²	45.1	11%	0.11	23%	0.233	C	C	.	.	H	α-helix	trans	-67.8	-42.8	174.8	-65.9	170.7	0	0	0	110.5	H475 L476 D481 K482 L484 P486 T489	H475-L479 WeakPolarHBondContact O-CG 3.45Å; H475-L479 PolarHBondContact O-N 3.44Å; H475-L479 VanDerWaalsContact O-N 3.12Å; L476-L479 PolarHBondContact O-N 3.08Å; L479-D481 VanDerWaalsContact C-N 3.34Å; L479-D481 PolarHBondContact O-N 3.4Å; L479-K482 WeakPolarHBondContact O-CA 3.47Å; L479-K482 PolarHBondContact O-N 3.04Å; L479-L484 HydrophobicContact CD2-CB 3.96Å; L479-P486 HydrophobicContact CB-CG 4.22Å; L479-P486 WeakPolarHBondContact O-CG 3.24Å; L479-T489 HydrophobicContact CD2-CG2 3.82Å
480	E	97.1	Very high	97.2	Very high	127 Å²	127	43.4 Å²	43.4	59%	0.593	22%	0.216	S	C	*	.	H	α-helix	trans	-61.6	-41.8	177.1	-163.2	-165	155.2	0	0	112.1	L476 A477 K482 K612	L476-E480 WeakPolarHBondContact O-CB 3.32Å; L476-E480 PolarHBondContact O-N 3.01Å; A477-E480 PolarHBondContact O-N 2.93Å; E480-K482 PolarHBondContact O-N 3.31Å; E480-K612 IonicContact OE1-NZ 2.81Å; E480-K612 PolarHBondContact OE1-NZ 2.94Å; E480-K612 IonicContact OE2-NZ 2.55Å
481	D	95.7	Very high	97.2	Very high	48 Å²	48	43.4 Å²	43.4	26%	0.257	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	2.6	175.1	-75.4	-8.3	0	0	0	113.2	A477 L479 I483 K612	A477-D481 WeakPolarHBondContact O-CB 3.1Å; A477-D481 PolarHBondContact O-N 3.16Å; L479-D481 VanDerWaalsContact C-N 3.34Å; L479-D481 PolarHBondContact O-N 3.4Å; D481-I483 HydrophobicContact CB-CG1 3.96Å; D481-I483 PolarHBondContact O-N 2.98Å; D481-I483 VanDerWaalsContact O-N 3.13Å; D481-K612 WeakPolarHBondContact OD1-CD 3.4Å; D481-K612 WeakPolarHBondContact OD1-CE 3.42Å; D481-K612 IonicContact OD1-NZ 2.65Å; D481-K612 PolarHBondContact OD1-NZ 3.49Å; D481-K612 WeakPolarHBondContact OD2-CB 3.42Å; D481-K612 WeakPolarHBondContact OD2-CG 3.36Å
482	K	96	Very high	97.2	Very high	168 Å²	168	43.3 Å²	43.3	73%	0.73	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	28.2	-179.7	-56.2	-176.4	179.5	-176.7	0	114.1	L478 L479 E480 L484	L478-K482 PolarHBondContact O-N 3.48Å; L479-K482 WeakPolarHBondContact O-CA 3.47Å; L479-K482 PolarHBondContact O-N 3.04Å; E480-K482 PolarHBondContact O-N 3.31Å; K482-L484 VanDerWaalsContact C-N 3.26Å
483	I	95.8	Very high	97.2	Very high	48 Å²	48	43.2 Å²	43.2	25%	0.246	22%	0.215	C	C	.	.	S	Bend	trans	-67.9	-37	172.3	-60.7	-73.3	0	0	0	109.7	A432 N436 L478 D481 A610	A432-I483 HydrophobicContact CB-CG2 3.52Å; N436-I483 PolarHBondContact ND2-O 3.32Å; L478-I483 HydrophobicContact CB-CB 4.43Å; L478-I483 HydrophobicContact CD2-CB 3.97Å; L478-I483 HydrophobicContact CD2-CG1 4.1Å; L478-I483 HydrophobicContact CD2-CG2 3.89Å; L478-I483 PolarHBondContact O-N 3.38Å; D481-I483 HydrophobicContact CB-CG1 3.96Å; D481-I483 PolarHBondContact O-N 2.98Å; D481-I483 VanDerWaalsContact O-N 3.13Å; I483-A610 HydrophobicContact CD1-CB 3.93Å; I483-A610 HydrophobicContact CG1-CB 3.65Å
484	L	96.5	Very high	97.2	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.191	C	C	.	.	S	Bend	trans	-114.4	139.8	161.4	-62.8	175.2	0	0	0	107.4	I427 A432 M435 L452 L454 L479 K482 P486	I427-L484 HydrophobicContact CD1-CD1 4.48Å; A432-L484 HydrophobicContact CB-CD2 4.29Å; M435-L484 HydrophobicContact CB-CD2 3.9Å; M435-L484 HydrophobicContact CE-CD1 3.92Å; M435-L484 HydrophobicContact CE-CD2 4.17Å; M435-L484 HydrophobicContact SD-CD1 4.22Å; M435-L484 HydrophobicContact SD-CD2 4.42Å; L452-L484 HydrophobicContact CD2-CD1 3.99Å; L452-L484 HydrophobicContact CD2-CD2 4.16Å; L454-L484 HydrophobicContact CD1-CD1 3.94Å; L454-L484 HydrophobicContact CD2-CD1 4.18Å; L479-L484 HydrophobicContact CD2-CB 3.96Å; K482-L484 VanDerWaalsContact C-N 3.26Å; L484-P486 VanDerWaalsContact O-CD 3.26Å; L484-P486 WeakPolarHBondContact O-CD 3.48Å
485	D	96.6	Very high	97.2	Very high	51 Å²	51	38.2 Å²	38.2	27%	0.273	19%	0.192	S	C	.	.			trans	-71.3	115.2	-178.7	176.5	12.1	0	0	0	111.2	K439 E487 N488 T489	K439-D485 IonicContact NZ-OD2 2.75Å; K439-D485 PolarHBondContact NZ-OD2 2.55Å; D485-E487 VanDerWaalsContact C-N 3.29Å; D485-E487 PolarHBondContact O-N 3.5Å; D485-E487 PolarHBondContact OD1-N 2.81Å; D485-E487 VanDerWaalsContact OD1-N 3.14Å; D485-N488 HydrophobicContact CB-CB 4.37Å; D485-N488 CarbonylContact O-C 3.5Å; D485-N488 PolarHBondContact O-N 3.01Å; D485-T489 VanDerWaalsContact O-CB 3.27Å; D485-T489 WeakPolarHBondContact O-CB 3.4Å; D485-T489 PolarHBondContact O-N 3.1Å; D485-T489 VanDerWaalsContact O-N 3.16Å; D485-T489 PolarHBondContact O-OG1 2.86Å
486	P	97.2	Very high	97.3	Very high	53 Å²	53	38.2 Å²	38.2	34%	0.344	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-60.9	-34.1	-179.1	-23.8	35.8	0	0	0	113.8	L479 L484 N488 T489	L479-P486 HydrophobicContact CB-CG 4.22Å; L479-P486 WeakPolarHBondContact O-CG 3.24Å; L484-P486 VanDerWaalsContact O-CD 3.26Å; L484-P486 WeakPolarHBondContact O-CD 3.48Å; P486-N488 PolarHBondContact O-N 3.02Å; P486-T489 PolarHBondContact O-N 3.06Å
487	E	96.7	Very high	97.3	Very high	139 Å²	139	35 Å²	35	65%	0.65	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-71.6	-19	-177.5	-66.9	-60.6	135.7	0	0	112.8	K449 D485	K449-E487 PolarHBondContact NZ-O 3.47Å; D485-E487 VanDerWaalsContact C-N 3.29Å; D485-E487 PolarHBondContact O-N 3.5Å; D485-E487 PolarHBondContact OD1-N 2.81Å; D485-E487 VanDerWaalsContact OD1-N 3.14Å
488	N	97.4	Very high	97.3	Very high	16 Å²	16	34.9 Å²	34.9	9%	0.086	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-118	15.9	-179.6	-73.3	21.3	0	0	0	112.1	K439 K449 P450 V451 L452 D485 P486	K439-N488 WeakPolarHBondContact CE-ND2 3.42Å; K439-N488 PolarHBondContact NZ-ND2 3.22Å; K449-N488 WeakPolarHBondContact CE-OD1 3.41Å; K449-N488 PolarHBondContact NZ-OD1 3.19Å; P450-N488 PolarHBondContact O-ND2 3.01Å; V451-N488 CarbonylContact C-O 3.52Å; V451-N488 WeakPolarHBondContact CA-O 3.32Å; L452-N488 PolarHBondContact N-O 2.68Å; D485-N488 HydrophobicContact CB-CB 4.37Å; D485-N488 CarbonylContact O-C 3.5Å; D485-N488 PolarHBondContact O-N 3.01Å; P486-N488 PolarHBondContact O-N 3.02Å
489	T	98.2	Very high	97.4	Very high	16 Å²	16	35.4 Å²	35.4	10%	0.098	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	120	-179	-56.5	0	0	0	0	111.3	L452 L454 L479 D485 P486	L452-T489 HydrophobicContact CB-CG2 4.3Å; L452-T489 HydrophobicContact CD2-CG2 3.9Å; L452-T489 HydrophobicContact CG-CG2 4.11Å; L452-T489 CarbonylContact O-C 3.58Å; L452-T489 WeakPolarHBondContact O-CA 3.42Å; L454-T489 HydrophobicContact CB-CG2 3.58Å; L454-T489 HydrophobicContact CD2-CG2 4.1Å; L454-T489 HydrophobicContact CG-CG2 4.4Å; L479-T489 HydrophobicContact CD2-CG2 3.82Å; D485-T489 VanDerWaalsContact O-CB 3.27Å; D485-T489 WeakPolarHBondContact O-CB 3.4Å; D485-T489 PolarHBondContact O-N 3.1Å; D485-T489 VanDerWaalsContact O-N 3.16Å; D485-T489 PolarHBondContact O-OG1 2.86Å; P486-T489 PolarHBondContact O-N 3.06Å
490	L	98	Very high	97.4	Very high	18 Å²	18	34.4 Å²	34.4	9%	0.094	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	110.9	170.2	179.2	58.3	0	0	0	109.5	L401 I406 R409 L410 M413 V451 L452 L453 L454	L401-L490 HydrophobicContact CD1-CD1 4.32Å; I406-L490 HydrophobicContact CG2-CD2 3.94Å; R409-L490 HydrophobicContact CB-CD1 4.33Å; R409-L490 HydrophobicContact CB-CD2 3.9Å; L410-L490 HydrophobicContact CD2-CD2 4.03Å; L410-L490 HydrophobicContact CG-CD2 4.07Å; M413-L490 HydrophobicContact SD-CB 4.01Å; M413-L490 HydrophobicContact SD-CD1 4.49Å; V451-L490 HydrophobicContact CG1-CB 4.34Å; L452-L490 PolarHBondContact O-N 3.49Å; L453-L490 HydrophobicContact CD1-CB 4.38Å; L453-L490 HydrophobicContact CD1-CD2 4.09Å; L453-L490 HydrophobicContact CD1-CG 4.14Å; L454-L490 PolarHBondContact N-O 3.1Å
491	L	98	Very high	97.5	Very high	17 Å²	17	28.4 Å²	28.4	9%	0.089	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.7	171.9	175	59	0	0	0	110.4	Y399 L454 P456 I472 H475 L476	Y399-L491 HydrophobicContact CD1-CD2 4.17Å; Y399-L491 HydrophobicContact CD1-CG 4.12Å; Y399-L491 HydrophobicContact CE1-CD2 4.04Å; Y399-L491 HydrophobicContact CE1-CG 4.44Å; L454-L491 HydrophobicContact CB-CD1 4.48Å; L454-L491 HydrophobicContact CD2-CD1 4.1Å; L454-L491 HydrophobicContact CG-CD1 4.24Å; L454-L491 WeakPolarHBondContact O-CA 3.36Å; L454-L491 WeakPolarHBondContact O-CD1 3.33Å; P456-L491 HydrophobicContact CG-CD1 3.98Å; I472-L491 HydrophobicContact CD1-CD1 4.07Å; H475-L491 HydrophobicContact CB-CD1 4.48Å; H475-L491 HydrophobicContact CB-CD2 4.37Å; L476-L491 HydrophobicContact CD2-CD2 3.96Å; L476-L491 HydrophobicContact CG-CD2 4.29Å
492	A	98	Very high	97.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.			trans	-136.9	164	173.5	0	0	0	0	0	110.6	Y399 L401 I406 L453 L454 H455 P456	Y399-A492 CarbonylContact O-C 3.59Å; Y399-A492 VanDerWaalsContact O-CA 3.26Å; Y399-A492 WeakPolarHBondContact O-CA 3.36Å; L401-A492 HydrophobicContact CB-CB 4.4Å; L401-A492 HydrophobicContact CD1-CB 4.29Å; L401-A492 HydrophobicContact CG-CB 4.42Å; I406-A492 HydrophobicContact CD1-CB 4.05Å; I406-A492 HydrophobicContact CG1-CB 4.25Å; L453-A492 HydrophobicContact CD1-CB 4.29Å; L454-A492 PolarHBondContact O-N 3.25Å; L454-A492 VanDerWaalsContact O-N 3.12Å; H455-A492 WeakPolarHBondContact CA-O 3.26Å; H455-A492 PolarHBondContact CD2-O 2.94Å; P456-A492 WeakPolarHBondContact CD-O 3.08Å
493	I	98.2	Very high	97.6	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.101	C	C	.	.			trans	-108.1	125.9	178.6	-68	171.2	0	0	0	109.4	L396 Y399 R400 L468 I472	L396-I493 HydrophobicContact CB-CD1 3.91Å; Y399-I493 PolarHBondContact O-N 3.45Å; R400-I493 HydrophobicContact CG-CB 3.99Å; R400-I493 HydrophobicContact CG-CD1 4.17Å; R400-I493 HydrophobicContact CG-CG2 4.14Å; L468-I493 HydrophobicContact CD1-CD1 4.45Å; L468-I493 HydrophobicContact CD1-CG1 4.48Å; L468-I493 HydrophobicContact CD2-CD1 4.14Å; L468-I493 HydrophobicContact CD2-CG2 4.26Å; I472-I493 HydrophobicContact CD1-CD1 4.03Å; I472-I493 HydrophobicContact CD1-CG1 3.8Å; I472-I493 HydrophobicContact CG1-CD1 4.19Å; I472-I493 HydrophobicContact CG1-CG1 4.48Å
494	F	98.1	Very high	97.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-85.9	120.4	172.6	178.5	-127.6	0	0	0	110.5	W277 H455 P456 G458 S496 W508 A512	W277-F494 HydrophobicContact CB-CE2 4.4Å; W277-F494 AromaticContact CD2-CD2 3.95Å; W277-F494 HydrophobicContact CD2-CD2 3.95Å; W277-F494 AromaticContact CD2-CE2 3.76Å; W277-F494 HydrophobicContact CD2-CE2 3.76Å; W277-F494 AromaticContact CE3-CD2 3.86Å; W277-F494 HydrophobicContact CE3-CD2 3.86Å; W277-F494 AromaticContact CE3-CE2 3.68Å; W277-F494 HydrophobicContact CE3-CE2 3.68Å; W277-F494 HydrophobicContact CG-CE2 4.09Å; W277-F494 HydrophobicContact CH2-CD2 4.27Å; W277-F494 HydrophobicContact CZ2-CD2 4.35Å; W277-F494 HydrophobicContact CZ3-CD2 4.03Å; W277-F494 HydrophobicContact CZ3-CE2 4.28Å; H455-F494 PolarHBondContact CD2-N 3.13Å; H455-F494 WeakPolarHBondContact NE2-CA 3.08Å; H455-F494 WeakPolarHBondContact NE2-CB 3.08Å; H455-F494 PolarHBondContact NE2-N 3.39Å; P456-F494 PolarHBondContact O-N 3.29Å; G458-F494 WeakPolarHBondContact CA-O 3.02Å; G458-F494 PolarHBondContact N-O 3Å; F494-S496 VanDerWaalsContact C-N 3.3Å; F494-S496 PolarHBondContact O-N 3.1Å; F494-W508 HydrophobicContact CE2-CZ2 4.46Å; F494-W508 AromaticContact CZ-CE2 3.91Å; F494-W508 AromaticContact CZ-CZ2 3.8Å; F494-W508 HydrophobicContact CZ-CZ2 3.8Å; F494-W508 AromaticContact CZ-NE1 3.87Å; F494-A512 HydrophobicContact CE1-CB 4.45Å; F494-A512 HydrophobicContact CE2-CB 3.47Å; F494-A512 VanDerWaalsContact CE2-CB 3.47Å; F494-A512 HydrophobicContact CZ-CB 3.38Å
495	P	97.9	Very high	97.8	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.013	10%	0.095	C	C	.	.			trans	-74.8	-11.7	-167.3	28	-35.9	0	0	0	115.7	Q271 V272 W277 G459	Q271-P495 HydrophobicContact CB-CB 4.36Å; Q271-P495 VanDerWaalsContact CD-CB 3.43Å; Q271-P495 HydrophobicContact CG-CB 3.8Å; Q271-P495 HydrophobicContact CG-CG 4.18Å; V272-P495 HydrophobicContact CG2-CB 4.48Å; V272-P495 HydrophobicContact CG2-CG 4.07Å; W277-P495 HydrophobicContact CG-CG 4.48Å; W277-P495 VanDerWaalsContact NE1-CG 3.32Å; G459-P495 WeakPolarHBondContact CA-O 3.19Å; G459-P495 PolarHBondContact N-O 3.26Å
496	S	98.2	Very high	97.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	P	Polyproline II helix	trans	-57.8	140.5	-175.7	-174.9	0	0	0	0	112.6	L457 G459 F494 W508	L457-S496 WeakPolarHBondContact CD2-O 3.43Å; L457-S496 WeakPolarHBondContact CG-O 3.5Å; G459-S496 VanDerWaalsContact CA-O 3.29Å; G459-S496 WeakPolarHBondContact CA-O 3.37Å; G459-S496 PolarHBondContact N-O 3.32Å; G459-S496 VanDerWaalsContact N-O 3.12Å; F494-S496 VanDerWaalsContact C-N 3.3Å; F494-S496 PolarHBondContact O-N 3.1Å; S496-W508 PolarHBondContact OG-NE1 3.39Å
497	P	98.2	Very high	97.8	Very high	1 Å²	1	13 Å²	13	1%	0.006	7%	0.068	C	C	.	.	P	Polyproline II helix	trans	-58.9	154.8	159.7	-20.8	33.9	0	0	0	111.6	I265 Q268 W269 W460	I265-P497 HydrophobicContact CG2-CG 4.18Å; Q268-P497 HydrophobicContact CB-CG 3.91Å; W269-P497 HydrophobicContact CD2-CG 4.27Å; W269-P497 HydrophobicContact CG-CG 4.42Å; W269-P497 HydrophobicContact CZ2-CB 4.42Å; W269-P497 HydrophobicContact CZ2-CG 4.12Å; W460-P497 HydrophobicContact CB-CB 4.35Å
498	M	98.1	Very high	97.8	Very high	5 Å²	5	6.4 Å²	6.4	3%	0.025	4%	0.037	C	C	.	.	P	Polyproline II helix	trans	-90.9	119.2	169.7	-174.8	72.6	-176.8	0	0	109.3	R424 L457 W460 T461 Y500 A528	R424-M498 HydrophobicContact CG-SD 4.49Å; L457-M498 HydrophobicContact CD1-CB 4.05Å; L457-M498 HydrophobicContact CD1-SD 3.9Å; L457-M498 HydrophobicContact CD2-CB 3.77Å; W460-M498 WeakPolarHBondContact CZ3-O 3.46Å; W460-M498 WeakPolarHBondContact O-CB 3.45Å; W460-M498 PolarHBondContact O-N 2.97Å; T461-M498 HydrophobicContact CG2-CB 4.14Å; M498-Y500 HydrophobicContact CB-CE2 4.08Å; M498-Y500 HydrophobicContact CE-CD1 4.02Å; M498-Y500 HydrophobicContact CE-CE1 4.01Å; M498-Y500 HydrophobicContact CG-CD1 4.1Å; M498-Y500 HydrophobicContact CG-CD2 4.19Å; M498-Y500 HydrophobicContact CG-CE1 3.6Å; M498-Y500 HydrophobicContact CG-CE2 3.71Å; M498-Y500 HydrophobicContact CG-CG 4.35Å; M498-Y500 WeakPolarHBondContact CG-OH 3.41Å; M498-Y500 WeakPolarHBondContact O-CE2 3.12Å; M498-A528 VanDerWaalsContact CE-CA 3.41Å; M498-A528 HydrophobicContact CE-CB 3.75Å
499	L	98.3	Very high	97.8	Very high	12 Å²	12	5.7 Å²	5.7	6%	0.063	3%	0.033	C	C	.	.			trans	-94.9	-18.9	-176.1	-58.3	176	0	0	0	113.6	W269 V309 F359 H366 T368 A501 E505	W269-L499 HydrophobicContact CH2-CD1 4.32Å; W269-L499 HydrophobicContact CZ2-CD1 3.95Å; W269-L499 HydrophobicContact CZ2-CD2 3.98Å; W269-L499 HydrophobicContact CZ2-CG 4.17Å; V309-L499 HydrophobicContact CB-CD1 4.35Å; V309-L499 HydrophobicContact CG1-CD1 3.39Å; V309-L499 HydrophobicContact CG2-CD1 3.96Å; F359-L499 HydrophobicContact CE1-CB 4.1Å; F359-L499 WeakPolarHBondContact CE1-O 3.34Å; H366-L499 PolarHBondContact CE1-O 3.47Å; T368-L499 WeakPolarHBondContact CB-O 3.29Å; T368-L499 HydrophobicContact CG2-CB 4.35Å; T368-L499 HydrophobicContact CG2-CD2 3.59Å; T368-L499 PolarHBondContact OG1-O 3.34Å; L499-A501 VanDerWaalsContact C-N 3.27Å; L499-A501 HydrophobicContact CB-CB 4.41Å; L499-A501 PolarHBondContact O-N 3.02Å; L499-E505 WeakPolarHBondContact CA-OE2 3.49Å; L499-E505 HydrophobicContact CB-CG 4.35Å; L499-E505 WeakPolarHBondContact CB-OE2 3.37Å; L499-E505 VanDerWaalsContact N-CD 3.3Å; L499-E505 PolarHBondContact N-OE1 3.05Å; L499-E505 PolarHBondContact N-OE2 2.69Å; L499-E505 VanDerWaalsContact N-OE2 3.16Å
500	Y	97.9	Very high	97.7	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.028	C	C	.	.			trans	65.3	27.2	-174	-54.8	-77.6	0	0	0	114	H366 P367 R424 W460 K462 D465 M498 G502 E505 A528 I530 Y540	H366-Y500 PolarHBondContact NE2-O 3Å; H366-Y500 VanDerWaalsContact NE2-O 3.16Å; P367-Y500 HydrophobicContact CG-CD2 3.89Å; P367-Y500 HydrophobicContact CG-CE2 4.32Å; R424-Y500 VanDerWaalsContact NE-CE1 3.26Å; R424-Y500 PolarHBondContact NE-OH 2.97Å; R424-Y500 PolarHBondContact NH2-OH 3.3Å; W460-Y500 HydrophobicContact CH2-CE2 4.14Å; W460-Y500 HydrophobicContact CZ3-CD2 4.33Å; W460-Y500 AromaticContact CZ3-CE2 3.76Å; W460-Y500 HydrophobicContact CZ3-CE2 3.76Å; K462-Y500 HydrophobicContact CB-CE2 4.09Å; K462-Y500 HydrophobicContact CD-CE1 4.15Å; K462-Y500 HydrophobicContact CD-CE2 4.42Å; K462-Y500 HydrophobicContact CG-CE1 4.24Å; K462-Y500 HydrophobicContact CG-CE2 4.14Å; K462-Y500 WeakPolarHBondContact CG-OH 3.48Å; K462-Y500 PolarHBondContact N-OH 3.33Å; K462-Y500 VanDerWaalsContact N-OH 3.11Å; D465-Y500 PolarHBondContact OD2-OH 3.12Å; M498-Y500 HydrophobicContact CB-CE2 4.08Å; M498-Y500 HydrophobicContact CE-CD1 4.02Å; M498-Y500 HydrophobicContact CE-CE1 4.01Å; M498-Y500 HydrophobicContact CG-CD1 4.1Å; M498-Y500 HydrophobicContact CG-CD2 4.19Å; M498-Y500 HydrophobicContact CG-CE1 3.6Å; M498-Y500 HydrophobicContact CG-CE2 3.71Å; M498-Y500 HydrophobicContact CG-CG 4.35Å; M498-Y500 WeakPolarHBondContact CG-OH 3.41Å; M498-Y500 WeakPolarHBondContact O-CE2 3.12Å; Y500-G502 VanDerWaalsContact C-N 3.32Å; Y500-G502 PolarHBondContact O-N 3.23Å; Y500-E505 WeakPolarHBondContact CA-OE2 3.17Å; Y500-E505 PolarHBondContact N-OE2 2.99Å; Y500-A528 CarbonylContact C-O 3.58Å; Y500-A528 VanDerWaalsContact CA-O 3.25Å; Y500-A528 WeakPolarHBondContact CA-O 2.84Å; Y500-I530 HydrophobicContact CD1-CB 4.08Å; Y500-I530 HydrophobicContact CD1-CD1 4.08Å; Y500-I530 HydrophobicContact CD1-CG1 4.37Å; Y500-I530 HydrophobicContact CG-CB 4.32Å; Y500-I530 HydrophobicContact CG-CD1 3.97Å; Y500-Y540 WeakPolarHBondContact O-CE2 3.31Å; Y500-Y540 PolarHBondContact O-OH 2.97Å
501	A	98.3	Very high	97.4	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.026	C	C	.	.			trans	-93.8	21.1	-175.6	0	0	0	0	0	113.9	F359 L499 T504 E505 A528	F359-A501 HydrophobicContact CD1-CB 3.48Å; F359-A501 VanDerWaalsContact CD1-CB 3.48Å; F359-A501 HydrophobicContact CE1-CB 3.7Å; F359-A501 HydrophobicContact CG-CB 4.29Å; L499-A501 VanDerWaalsContact C-N 3.27Å; L499-A501 HydrophobicContact CB-CB 4.41Å; L499-A501 PolarHBondContact O-N 3.02Å; A501-T504 WeakPolarHBondContact O-CB 3.44Å; A501-T504 PolarHBondContact O-N 2.85Å; A501-E505 HydrophobicContact CB-CB 3.95Å; A501-E505 PolarHBondContact N-OE2 2.84Å; A501-E505 PolarHBondContact O-N 3.12Å; A501-A528 PolarHBondContact N-O 3.33Å
502	G	97.6	Very high	97.2	Very high	1 Å²	1	4 Å²	4	1%	0.01	2%	0.022	C	C	.	.	H	α-helix	trans	48.5	-120.5	167.9	0	0	0	0	0	114.4	Y500 T504 E505 V506 P527 A528	Y500-G502 VanDerWaalsContact C-N 3.32Å; Y500-G502 PolarHBondContact O-N 3.23Å; G502-T504 PolarHBondContact O-N 2.69Å; G502-E505 PolarHBondContact O-N 3.29Å; G502-E505 VanDerWaalsContact O-N 3.11Å; G502-V506 PolarHBondContact O-N 3.23Å; G502-P527 CarbonylContact C-O 3.59Å; G502-P527 WeakPolarHBondContact CA-O 3.35Å; G502-A528 WeakPolarHBondContact CA-O 3.46Å; G502-A528 PolarHBondContact N-O 3.21Å
503	P	97.6	Very high	97.1	Very high	18 Å²	18	4 Å²	4	12%	0.117	2%	0.022	C	C	.	.	H	α-helix	trans	-58.6	-26.5	-180	-22.7	32.6	0	0	0	115.7	V506 Q507 Y540 H544 V548	P503-V506 WeakPolarHBondContact O-CG1 3.47Å; P503-Q507 PolarHBondContact O-NE2 2.98Å; P503-Y540 HydrophobicContact CG-CD1 4.45Å; P503-Y540 HydrophobicContact CG-CG 4.44Å; P503-H544 HydrophobicContact CB-CB 4.41Å; P503-H544 HydrophobicContact CG-CB 3.58Å; P503-V548 HydrophobicContact CB-CB 4.26Å; P503-V548 HydrophobicContact CB-CG2 4.09Å
504	T	98.2	Very high	96.6	Very high	21 Å²	21	5.2 Å²	5.2	13%	0.129	3%	0.028	C	C	.	.	H	α-helix	trans	-73.3	-49	174.1	-56	0	0	0	0	109.9	S308 Q358 A501 G502	S308-T504 WeakPolarHBondContact CB-O 3.38Å; S308-T504 WeakPolarHBondContact O-CG2 3.18Å; S308-T504 PolarHBondContact OG-O 3.46Å; Q358-T504 HydrophobicContact CG-CG2 4.36Å; Q358-T504 VanDerWaalsContact O-CB 3.3Å; Q358-T504 WeakPolarHBondContact O-CB 3.37Å; Q358-T504 PolarHBondContact O-OG1 3.4Å; A501-T504 WeakPolarHBondContact O-CB 3.44Å; A501-T504 PolarHBondContact O-N 2.85Å; G502-T504 PolarHBondContact O-N 2.69Å
505	E	98.2	Very high	96.2	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-74.7	-32.4	-173.3	-161.3	-175.8	173	0	0	113.4	V309 L499 Y500 A501 G502 Q507 W508 H509 A528	V309-E505 HydrophobicContact CG2-CG 4.39Å; L499-E505 WeakPolarHBondContact CA-OE2 3.49Å; L499-E505 HydrophobicContact CB-CG 4.35Å; L499-E505 WeakPolarHBondContact CB-OE2 3.37Å; L499-E505 VanDerWaalsContact N-CD 3.3Å; L499-E505 PolarHBondContact N-OE1 3.05Å; L499-E505 PolarHBondContact N-OE2 2.69Å; L499-E505 VanDerWaalsContact N-OE2 3.16Å; Y500-E505 WeakPolarHBondContact CA-OE2 3.17Å; Y500-E505 PolarHBondContact N-OE2 2.99Å; A501-E505 HydrophobicContact CB-CB 3.95Å; A501-E505 PolarHBondContact N-OE2 2.84Å; A501-E505 PolarHBondContact O-N 3.12Å; G502-E505 PolarHBondContact O-N 3.29Å; G502-E505 VanDerWaalsContact O-N 3.11Å; E505-Q507 PolarHBondContact O-N 3.4Å; E505-W508 WeakPolarHBondContact O-CA 3.42Å; E505-W508 WeakPolarHBondContact O-CB 3.48Å; E505-W508 PolarHBondContact O-N 3.12Å; E505-H509 VanDerWaalsContact CD-NE2 3.31Å; E505-H509 WeakPolarHBondContact CG-NE2 3.28Å; E505-H509 PolarHBondContact O-N 2.79Å; E505-H509 IonicContact OE1-CD2 3.92Å; E505-H509 IonicContact OE1-CE1 2.73Å; E505-H509 PolarHBondContact OE1-CE1 2.76Å; E505-H509 IonicContact OE1-NE2 3.4Å; E505-H509 PolarHBondContact OE1-NE2 3.16Å; E505-A528 HydrophobicContact CB-CB 3.83Å; E505-A528 HydrophobicContact CG-CB 4.26Å
506	V	96.9	Very high	95.9	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.006	3%	0.031	C	C	.	.	H	α-helix	trans	-60.3	-32.3	179	70.8	0	0	0	0	112.2	G502 P503 H509 A510 Y521 V523 P527 G545 L549	G502-V506 PolarHBondContact O-N 3.23Å; P503-V506 WeakPolarHBondContact O-CG1 3.47Å; V506-H509 PolarHBondContact O-N 2.81Å; V506-A510 WeakPolarHBondContact O-CB 3.48Å; V506-A510 PolarHBondContact O-N 3.22Å; V506-Y521 HydrophobicContact CG2-CE1 4.48Å; V506-V523 HydrophobicContact CG2-CG2 3.78Å; V506-P527 HydrophobicContact CB-CB 4.13Å; V506-P527 HydrophobicContact CB-CG 4.06Å; V506-P527 HydrophobicContact CG1-CG 4.34Å; V506-P527 HydrophobicContact CG2-CB 3.61Å; V506-P527 HydrophobicContact CG2-CG 3.76Å; V506-G545 WeakPolarHBondContact CG1-O 3.32Å; V506-L549 HydrophobicContact CG2-CD2 4.18Å
507	Q	96.6	Very high	95.4	Very high	6 Å²	6	6.1 Å²	6.1	3%	0.028	4%	0.037	C	C	.	.	H	α-helix	trans	-62.8	-45.9	172.1	-67.5	175.1	70.6	0	0	111.4	N306 P503 E505 H509 A510 R511 V548 L549 A552	N306-Q507 PolarHBondContact ND2-OE1 3.09Å; P503-Q507 PolarHBondContact O-NE2 2.98Å; E505-Q507 PolarHBondContact O-N 3.4Å; Q507-H509 PolarHBondContact O-N 2.73Å; Q507-A510 PolarHBondContact O-N 2.94Å; Q507-R511 VanDerWaalsContact O-CB 3.28Å; Q507-R511 WeakPolarHBondContact O-CB 3.27Å; Q507-R511 PolarHBondContact O-N 3.13Å; Q507-V548 HydrophobicContact CG-CG1 4.31Å; Q507-V548 VanDerWaalsContact NE2-CG1 3.3Å; Q507-L549 HydrophobicContact CB-CD1 4.47Å; Q507-L549 HydrophobicContact CG-CD1 4.13Å; Q507-A552 HydrophobicContact CG-CB 4.02Å
508	W	97.1	Very high	95.1	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-60.4	-45.3	174.7	164.1	-119.1	0	0	0	111.5	W269 V272 W277 A278 S308 V309 I311 F494 S496 E505 A510 R511 A512	W269-W508 AromaticContact CH2-NE1 3.82Å; W269-W508 HydrophobicContact CZ3-CZ2 4Å; W269-W508 AromaticContact CZ3-NE1 3.99Å; V272-W508 HydrophobicContact CG1-CH2 3.55Å; V272-W508 HydrophobicContact CG1-CZ2 3.45Å; V272-W508 VanDerWaalsContact CG1-CZ2 3.45Å; W277-W508 HydrophobicContact CB-CH2 4.17Å; A278-W508 HydrophobicContact CB-CH2 3.84Å; A278-W508 HydrophobicContact CB-CZ3 4.07Å; S308-W508 PolarHBondContact OG-N 3.37Å; V309-W508 HydrophobicContact CB-CB 4.02Å; V309-W508 HydrophobicContact CB-CG 4.06Å; V309-W508 HydrophobicContact CG2-CB 3.51Å; V309-W508 HydrophobicContact CG2-CG 3.88Å; I311-W508 HydrophobicContact CD1-CH2 4.11Å; I311-W508 HydrophobicContact CD1-CZ2 4.44Å; I311-W508 HydrophobicContact CD1-CZ3 4.45Å; F494-W508 HydrophobicContact CE2-CZ2 4.46Å; F494-W508 AromaticContact CZ-CE2 3.91Å; F494-W508 AromaticContact CZ-CZ2 3.8Å; F494-W508 HydrophobicContact CZ-CZ2 3.8Å; F494-W508 AromaticContact CZ-NE1 3.87Å; S496-W508 PolarHBondContact OG-NE1 3.39Å; E505-W508 WeakPolarHBondContact O-CA 3.42Å; E505-W508 WeakPolarHBondContact O-CB 3.48Å; E505-W508 PolarHBondContact O-N 3.12Å; W508-A510 PolarHBondContact O-N 2.7Å; W508-R511 PolarHBondContact O-N 3.26Å; W508-A512 HydrophobicContact CD2-CB 4.47Å; W508-A512 HydrophobicContact CE3-CB 4.36Å; W508-A512 HydrophobicContact CH2-CB 4Å; W508-A512 HydrophobicContact CZ2-CB 4.12Å; W508-A512 HydrophobicContact CZ3-CB 4.14Å; W508-A512 VanDerWaalsContact O-CB 3.3Å; W508-A512 WeakPolarHBondContact O-CB 3.47Å; W508-A512 PolarHBondContact O-N 3.26Å
509	H	97	Very high	94.7	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-58.4	-48.4	178.1	-68.3	173.6	0	0	0	111.2	Q422 E505 V506 Q507 R513 Y521	Q422-H509 HydrophobicContact CG-CB 4.34Å; Q422-H509 VanDerWaalsContact CG-ND1 3.34Å; Q422-H509 WeakPolarHBondContact CG-ND1 3.05Å; E505-H509 VanDerWaalsContact CD-NE2 3.31Å; E505-H509 WeakPolarHBondContact CG-NE2 3.28Å; E505-H509 PolarHBondContact O-N 2.79Å; E505-H509 IonicContact OE1-CD2 3.92Å; E505-H509 IonicContact OE1-CE1 2.73Å; E505-H509 PolarHBondContact OE1-CE1 2.76Å; E505-H509 IonicContact OE1-NE2 3.4Å; E505-H509 PolarHBondContact OE1-NE2 3.16Å; V506-H509 PolarHBondContact O-N 2.81Å; Q507-H509 PolarHBondContact O-N 2.73Å; H509-R513 WeakPolarHBondContact O-CD 3.24Å; H509-R513 PolarHBondContact O-NH1 3.07Å; H509-Y521 WeakPolarHBondContact CB-OH 3.48Å
510	A	94.9	Very high	94.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.7	-50.2	178	0	0	0	0	0	112.3	V506 Q507 W508 A512 R513 I514 Y521 L549 M555	V506-A510 WeakPolarHBondContact O-CB 3.48Å; V506-A510 PolarHBondContact O-N 3.22Å; Q507-A510 PolarHBondContact O-N 2.94Å; W508-A510 PolarHBondContact O-N 2.7Å; A510-A512 VanDerWaalsContact C-N 3.32Å; A510-A512 PolarHBondContact O-N 3.26Å; A510-R513 PolarHBondContact O-N 3.03Å; A510-I514 PolarHBondContact O-N 3.31Å; A510-Y521 VanDerWaalsContact CA-CE2 3.49Å; A510-Y521 HydrophobicContact CB-CD1 3.92Å; A510-Y521 HydrophobicContact CB-CD2 3.91Å; A510-Y521 HydrophobicContact CB-CE1 3.89Å; A510-Y521 HydrophobicContact CB-CE2 3.89Å; A510-Y521 HydrophobicContact CB-CG 3.9Å; A510-L549 HydrophobicContact CB-CD1 3.74Å; A510-L549 HydrophobicContact CB-CD2 4.08Å; A510-M555 HydrophobicContact CB-CE 3.52Å
511	R	92.6	Very high	94.2	Very high	15 Å²	15	10.9 Å²	10.9	6%	0.057	6%	0.058	C	C	.	.	H	α-helix	trans	-56.5	-46.4	179.8	-180	-84.8	-171.1	107.1	-20.4	111.2	A278 S279 N306 Q307 Q507 W508 R513 I514 A515 M555	A278-R511 VanDerWaalsContact C-NH2 3.27Å; A278-R511 PolarHBondContact O-NH2 3.35Å; S279-R511 PolarHBondContact O-NH2 3.46Å; N306-R511 HydrophobicContact CB-CG 4.35Å; N306-R511 WeakPolarHBondContact O-CG 3.3Å; N306-R511 PolarHBondContact O-NH1 3.06Å; Q307-R511 VanDerWaalsContact CD-NH1 3.35Å; Q507-R511 VanDerWaalsContact O-CB 3.28Å; Q507-R511 WeakPolarHBondContact O-CB 3.27Å; Q507-R511 PolarHBondContact O-N 3.13Å; W508-R511 PolarHBondContact O-N 3.26Å; R511-R513 PolarHBondContact O-N 3.48Å; R511-R513 VanDerWaalsContact O-N 3.15Å; R511-I514 WeakPolarHBondContact O-CA 3.48Å; R511-I514 WeakPolarHBondContact O-CB 3.4Å; R511-I514 PolarHBondContact O-N 3.19Å; R511-A515 PolarHBondContact O-N 3.28Å; R511-M555 HydrophobicContact CB-CE 4.34Å; R511-M555 HydrophobicContact CB-SD 3.82Å; R511-M555 HydrophobicContact CG-SD 4.4Å
512	A	94.6	Very high	94	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.7	-29.5	-179.3	0	0	0	0	0	111.8	W277 F494 W508 A510 A515	W277-A512 HydrophobicContact CE3-CB 4.19Å; W277-A512 WeakPolarHBondContact CZ3-O 3.47Å; F494-A512 HydrophobicContact CE1-CB 4.45Å; F494-A512 HydrophobicContact CE2-CB 3.47Å; F494-A512 VanDerWaalsContact CE2-CB 3.47Å; F494-A512 HydrophobicContact CZ-CB 3.38Å; W508-A512 HydrophobicContact CD2-CB 4.47Å; W508-A512 HydrophobicContact CE3-CB 4.36Å; W508-A512 HydrophobicContact CH2-CB 4Å; W508-A512 HydrophobicContact CZ2-CB 4.12Å; W508-A512 HydrophobicContact CZ3-CB 4.14Å; W508-A512 VanDerWaalsContact O-CB 3.3Å; W508-A512 WeakPolarHBondContact O-CB 3.47Å; W508-A512 PolarHBondContact O-N 3.26Å; A510-A512 VanDerWaalsContact C-N 3.32Å; A510-A512 PolarHBondContact O-N 3.26Å; A512-A515 VanDerWaalsContact O-CB 3.26Å; A512-A515 WeakPolarHBondContact O-CB 3.36Å; A512-A515 PolarHBondContact O-N 2.96Å
513	R	94	Very high	93.8	Very high	1 Å²	1	11.2 Å²	11.2	0%	0.004	6%	0.059	C	C	.	.	H	α-helix	trans	-79.6	-20.4	174.7	-82.9	74	175.4	-179.4	-1.5	113.3	A420 L453 H455 H509 A510 R511 A515 A516 G517 I518	A420-R513 HydrophobicContact CB-CB 4.49Å; A420-R513 HydrophobicContact CB-CG 4.12Å; L453-R513 HydrophobicContact CD2-CG 4.27Å; H455-R513 WeakPolarHBondContact ND1-CG 3.32Å; H455-R513 PolarHBondContact ND1-NE 2.74Å; H455-R513 PolarHBondContact O-NH2 3.42Å; H455-R513 VanDerWaalsContact O-NH2 3.13Å; H509-R513 WeakPolarHBondContact O-CD 3.24Å; H509-R513 PolarHBondContact O-NH1 3.07Å; A510-R513 PolarHBondContact O-N 3.03Å; R511-R513 PolarHBondContact O-N 3.48Å; R511-R513 VanDerWaalsContact O-N 3.15Å; R513-A515 PolarHBondContact O-N 3.46Å; R513-A516 CarbonylContact O-C 3.54Å; R513-A516 WeakPolarHBondContact O-CA 3.33Å; R513-A516 WeakPolarHBondContact O-CB 3.33Å; R513-A516 PolarHBondContact O-N 2.92Å; R513-G517 PolarHBondContact O-N 2.87Å; R513-G517 VanDerWaalsContact O-N 3.14Å; R513-I518 HydrophobicContact CB-CB 4.49Å; R513-I518 HydrophobicContact CB-CD1 3.5Å; R513-I518 VanDerWaalsContact CB-CD1 3.5Å; R513-I518 HydrophobicContact CB-CG1 3.9Å; R513-I518 HydrophobicContact CB-CG2 3.82Å; R513-I518 HydrophobicContact CG-CG2 4.42Å; R513-I518 WeakPolarHBondContact O-CG1 3.44Å; R513-I518 PolarHBondContact O-N 2.97Å
514	I	89.7	Confident	93.3	Very high	26 Å²	26	10.9 Å²	10.9	13%	0.133	6%	0.059	C	C	.	.	H	α-helix	trans	-58.3	-40.1	166.6	-58.4	176.9	0	0	0	109.2	R407 A510 R511 A516 G517 M555 S557 V558	R407-I514 PolarHBondContact NH2-O 3.27Å; A510-I514 PolarHBondContact O-N 3.31Å; R511-I514 WeakPolarHBondContact O-CA 3.48Å; R511-I514 WeakPolarHBondContact O-CB 3.4Å; R511-I514 PolarHBondContact O-N 3.19Å; I514-A516 PolarHBondContact O-N 3.37Å; I514-G517 PolarHBondContact O-N 3.33Å; I514-M555 HydrophobicContact CD1-CE 3.69Å; I514-M555 HydrophobicContact CD1-SD 3.72Å; I514-M555 HydrophobicContact CG1-CE 4.49Å; I514-S557 VanDerWaalsContact CG2-OG 3.29Å; I514-S557 WeakPolarHBondContact CG2-OG 3.28Å; I514-V558 HydrophobicContact CD1-CB 4.25Å; I514-V558 HydrophobicContact CD1-CG1 3.66Å; I514-V558 HydrophobicContact CG1-CB 4.12Å; I514-V558 HydrophobicContact CG1-CG1 3.96Å
515	A	88.6	Confident	92.8	Very high	9 Å²	9	15.5 Å²	15.5	7%	0.074	7%	0.074	C	C	.	.	H	α-helix	trans	-57.8	-39	171.9	0	0	0	0	0	111.2	I237 P403 R407 R511 A512 R513 G517	I237-A515 WeakPolarHBondContact CD1-O 3.23Å; I237-A515 HydrophobicContact CG1-CB 4.24Å; P403-A515 HydrophobicContact CB-CB 4.17Å; P403-A515 HydrophobicContact CG-CB 4.29Å; R407-A515 PolarHBondContact NE-O 3.48Å; R407-A515 PolarHBondContact NH2-O 2.91Å; R511-A515 PolarHBondContact O-N 3.28Å; A512-A515 VanDerWaalsContact O-CB 3.26Å; A512-A515 WeakPolarHBondContact O-CB 3.36Å; A512-A515 PolarHBondContact O-N 2.96Å; R513-A515 PolarHBondContact O-N 3.46Å; A515-G517 PolarHBondContact O-N 2.86Å
516	A	91.8	Very high	92.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-1.7	174.5	0	0	0	0	0	115.5	W277 I406 L453 R513 I514	W277-A516 HydrophobicContact CH2-CB 4.25Å; W277-A516 HydrophobicContact CZ3-CB 3.92Å; I406-A516 HydrophobicContact CB-CB 4.38Å; I406-A516 HydrophobicContact CD1-CB 4.17Å; I406-A516 HydrophobicContact CG2-CB 3.95Å; L453-A516 HydrophobicContact CD2-CB 3.81Å; R513-A516 CarbonylContact O-C 3.54Å; R513-A516 WeakPolarHBondContact O-CA 3.33Å; R513-A516 WeakPolarHBondContact O-CB 3.33Å; R513-A516 PolarHBondContact O-N 2.92Å; I514-A516 PolarHBondContact O-N 3.37Å
517	G	88	Confident	92.3	Very high	11 Å²	11	17.9 Å²	17.9	11%	0.113	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	29.3	175.2	0	0	0	0	0	115.4	R407 R513 I514 A515	R407-G517 VanDerWaalsContact CZ-CA 3.44Å; R513-G517 PolarHBondContact O-N 2.87Å; R513-G517 VanDerWaalsContact O-N 3.14Å; I514-G517 PolarHBondContact O-N 3.33Å; A515-G517 PolarHBondContact O-N 2.86Å
518	I	91.6	Very high	92.3	Very high	6 Å²	6	18.2 Å²	18.2	3%	0.031	9%	0.091	C	C	.	.			trans	-73.5	151.6	172.3	72.7	167.7	0	0	0	111.8	V418 A420 L453 R513 Y521 V558	V418-I518 HydrophobicContact CG1-CG2 4.08Å; A420-I518 HydrophobicContact CB-CD1 4.26Å; A420-I518 HydrophobicContact CB-CG2 3.84Å; L453-I518 HydrophobicContact CD2-CG2 3.88Å; R513-I518 HydrophobicContact CB-CB 4.49Å; R513-I518 HydrophobicContact CB-CD1 3.5Å; R513-I518 VanDerWaalsContact CB-CD1 3.5Å; R513-I518 HydrophobicContact CB-CG1 3.9Å; R513-I518 HydrophobicContact CB-CG2 3.82Å; R513-I518 HydrophobicContact CG-CG2 4.42Å; R513-I518 WeakPolarHBondContact O-CG1 3.44Å; R513-I518 PolarHBondContact O-N 2.97Å; I518-Y521 HydrophobicContact CD1-CD2 3.69Å; I518-Y521 HydrophobicContact CD1-CG 4.29Å; I518-V558 HydrophobicContact CD1-CG2 3.76Å; I518-V558 HydrophobicContact CG1-CG2 3.99Å
519	H	88.5	Confident	92.2	Very high	84 Å²	84	18.9 Å²	18.9	39%	0.389	10%	0.098	S	C	.	.	S	Bend	trans	-108.4	-29.1	172.7	-54.5	89.9	0	0	0	111.5	V418 V558 E559	V418-H519 PolarHBondContact N-ND1 3.34Å; V418-H519 VanDerWaalsContact N-ND1 3.15Å; V418-H519 PolarHBondContact O-N 2.89Å; H519-V558 WeakPolarHBondContact O-CA 3.33Å; H519-E559 PolarHBondContact O-N 2.75Å
520	Y	92.9	Very high	92.1	Very high	25 Å²	25	19.8 Å²	19.8	10%	0.098	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	140.9	-178.6	-52.3	-92.1	0	0	0	110.9	A417 V418 F419 A420 L442 F447 E559 L561	A417-Y520 HydrophobicContact CB-CE2 4.03Å; V418-Y520 PolarHBondContact O-N 3.21Å; V418-Y520 VanDerWaalsContact O-N 3.1Å; F419-Y520 CarbonylContact C-O 3.56Å; F419-Y520 WeakPolarHBondContact CA-O 3.45Å; A420-Y520 PolarHBondContact N-O 2.89Å; L442-Y520 HydrophobicContact CD1-CD2 4.03Å; L442-Y520 HydrophobicContact CD1-CE2 4.3Å; L442-Y520 HydrophobicContact CD2-CD1 4.14Å; L442-Y520 HydrophobicContact CD2-CD2 3.71Å; L442-Y520 HydrophobicContact CD2-CE1 3.79Å; L442-Y520 HydrophobicContact CD2-CE2 3.33Å; L442-Y520 HydrophobicContact CD2-CG 4.12Å; L442-Y520 HydrophobicContact CG-CE2 4.47Å; F447-Y520 HydrophobicContact CE2-CE2 4.37Å; F447-Y520 WeakPolarHBondContact CE2-OH 3.45Å; F447-Y520 HydrophobicContact CZ-CE2 4.45Å; F447-Y520 WeakPolarHBondContact CZ-OH 3.43Å; Y520-E559 CarbonylContact C-O 3.49Å; Y520-E559 WeakPolarHBondContact CA-O 3.29Å; Y520-E559 HydrophobicContact CD1-CB 3.73Å; Y520-E559 HydrophobicContact CD1-CG 4.19Å; Y520-E559 HydrophobicContact CE1-CB 4.04Å; Y520-E559 HydrophobicContact CE1-CG 4.44Å; Y520-E559 WeakPolarHBondContact CE1-OE2 3.34Å; Y520-L561 HydrophobicContact CD1-CD1 4.2Å; Y520-L561 HydrophobicContact CD1-CD2 4.28Å; Y520-L561 HydrophobicContact CD1-CG 4.3Å; Y520-L561 HydrophobicContact CG-CD1 4.34Å
521	Y	94.3	Very high	92.2	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.016	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.3	176.4	-170.6	-91.5	0	0	0	110.8	A420 Q422 V506 H509 A510 I518 V523 L549 E559 L561	A420-Y521 HydrophobicContact CB-CD2 4.38Å; Q422-Y521 WeakPolarHBondContact CB-OH 3.38Å; V506-Y521 HydrophobicContact CG2-CE1 4.48Å; H509-Y521 WeakPolarHBondContact CB-OH 3.48Å; A510-Y521 VanDerWaalsContact CA-CE2 3.49Å; A510-Y521 HydrophobicContact CB-CD1 3.92Å; A510-Y521 HydrophobicContact CB-CD2 3.91Å; A510-Y521 HydrophobicContact CB-CE1 3.89Å; A510-Y521 HydrophobicContact CB-CE2 3.89Å; A510-Y521 HydrophobicContact CB-CG 3.9Å; I518-Y521 HydrophobicContact CD1-CD2 3.69Å; I518-Y521 HydrophobicContact CD1-CG 4.29Å; Y521-V523 HydrophobicContact CD1-CB 4.17Å; Y521-V523 HydrophobicContact CE1-CB 4.11Å; Y521-L549 HydrophobicContact CD1-CD2 3.71Å; Y521-L549 HydrophobicContact CE1-CD2 3.86Å; Y521-E559 PolarHBondContact N-O 3.36Å; Y521-L561 PolarHBondContact O-N 2.77Å
522	I	93.9	Very high	92.3	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.026	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	122.3	174.5	-54.9	169.5	0	0	0	107.7	F419 A420 F421 M435 T438 L561	F419-I522 HydrophobicContact CD2-CD1 3.83Å; F419-I522 HydrophobicContact CE2-CD1 4.22Å; A420-I522 PolarHBondContact O-N 3.42Å; F421-I522 HydrophobicContact CB-CB 4.26Å; F421-I522 HydrophobicContact CB-CD1 4.39Å; F421-I522 HydrophobicContact CD2-CB 3.8Å; F421-I522 HydrophobicContact CD2-CG2 3.65Å; F421-I522 WeakPolarHBondContact CD2-O 3.35Å; F421-I522 HydrophobicContact CE2-CG2 4.14Å; F421-I522 HydrophobicContact CG-CB 4.46Å; M435-I522 HydrophobicContact CG-CD1 4.39Å; T438-I522 HydrophobicContact CG2-CD1 4.01Å; T438-I522 HydrophobicContact CG2-CG1 4.24Å; T438-I522 VanDerWaalsContact OG1-CD1 3.23Å; T438-I522 WeakPolarHBondContact OG1-CD1 3.44Å; I522-L561 HydrophobicContact CG1-CD1 4.45Å
523	V	92	Very high	92.4	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	112.7	179.5	56.5	0	0	0	0	111.4	V506 Y521 P527 L549 I560 L561 F563	V506-V523 HydrophobicContact CG2-CG2 3.78Å; Y521-V523 HydrophobicContact CD1-CB 4.17Å; Y521-V523 HydrophobicContact CE1-CB 4.11Å; V523-P527 HydrophobicContact CG2-CB 3.99Å; V523-P527 HydrophobicContact CG2-CG 3.77Å; V523-L549 HydrophobicContact CB-CD2 3.89Å; V523-L549 HydrophobicContact CG1-CD2 4.23Å; V523-L549 HydrophobicContact CG2-CD2 4.01Å; V523-I560 HydrophobicContact CG1-CG2 3.61Å; V523-L561 PolarHBondContact N-O 2.72Å; V523-F563 WeakPolarHBondContact O-CB 3.38Å
524	G	87.6	Confident	92.5	Very high	11 Å²	11	34.8 Å²	34.8	11%	0.113	18%	0.182	C	C	.	.			trans	-72.3	177.1	-178.6	0	0	0	0	0	115.6	P527	G524-P527 VanDerWaalsContact O-CD 3.3Å; G524-P527 WeakPolarHBondContact O-CD 3.48Å
525	R	87.8	Confident	92.8	Very high	119 Å²	119	38.2 Å²	38.2	45%	0.449	20%	0.204	S	C	.	.	S	Bend	trans	-69.2	139.7	167.7	179.1	178.5	175.4	-176.4	-0.3	110.5	P527 P542 F563	R525-P527 VanDerWaalsContact C-N 3.35Å; R525-P542 HydrophobicContact CG-CB 3.65Å; R525-F563 HydrophobicContact CB-CD1 4.18Å; R525-F563 HydrophobicContact CB-CE1 3.76Å; R525-F563 HydrophobicContact CB-CZ 4.4Å
526	D	92	Very high	93	Very high	33 Å²	33	39.5 Å²	39.5	18%	0.176	22%	0.218	C	C	.	.	S	Bend	trans	47.9	50.7	-176.8	-170.7	37.8	0	0	0	112.8	A528 G529 Y538 P542	D526-A528 PolarHBondContact O-N 3.15Å; D526-G529 PolarHBondContact O-N 3.23Å; D526-G529 WeakPolarHBondContact OD1-CA 3.15Å; D526-Y538 HydrophobicContact CB-CD1 4.1Å; D526-Y538 HydrophobicContact CB-CE1 3.97Å; D526-Y538 VanDerWaalsContact OD2-CD1 3.27Å; D526-Y538 WeakPolarHBondContact OD2-CD1 3.27Å; D526-Y538 WeakPolarHBondContact OD2-CE1 3.42Å; D526-P542 HydrophobicContact CB-CB 4.19Å; D526-P542 PolarHBondContact N-O 3.42Å
527	P	93.7	Very high	93.1	Very high	18 Å²	18	44.3 Å²	44.3	12%	0.117	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	131.7	-172.8	33.3	-34.3	0	0	0	109.1	G502 V506 V523 G524 R525 G529	G502-P527 CarbonylContact C-O 3.59Å; G502-P527 WeakPolarHBondContact CA-O 3.35Å; V506-P527 HydrophobicContact CB-CB 4.13Å; V506-P527 HydrophobicContact CB-CG 4.06Å; V506-P527 HydrophobicContact CG1-CG 4.34Å; V506-P527 HydrophobicContact CG2-CB 3.61Å; V506-P527 HydrophobicContact CG2-CG 3.76Å; V523-P527 HydrophobicContact CG2-CB 3.99Å; V523-P527 HydrophobicContact CG2-CG 3.77Å; G524-P527 VanDerWaalsContact O-CD 3.3Å; G524-P527 WeakPolarHBondContact O-CD 3.48Å; R525-P527 VanDerWaalsContact C-N 3.35Å; P527-G529 PolarHBondContact O-N 2.91Å; P527-G529 VanDerWaalsContact O-N 3.14Å
528	A	95.7	Very high	93.4	Very high	13 Å²	13	48.4 Å²	48.4	11%	0.107	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	18.4	-174.6	0	0	0	0	0	115.9	M498 Y500 A501 G502 E505 D526	M498-A528 VanDerWaalsContact CE-CA 3.41Å; M498-A528 HydrophobicContact CE-CB 3.75Å; Y500-A528 CarbonylContact C-O 3.58Å; Y500-A528 VanDerWaalsContact CA-O 3.25Å; Y500-A528 WeakPolarHBondContact CA-O 2.84Å; A501-A528 PolarHBondContact N-O 3.33Å; G502-A528 WeakPolarHBondContact CA-O 3.46Å; G502-A528 PolarHBondContact N-O 3.21Å; E505-A528 HydrophobicContact CB-CB 3.83Å; E505-A528 HydrophobicContact CG-CB 4.26Å; D526-A528 PolarHBondContact O-N 3.15Å
529	G	95.6	Very high	93.7	Very high	14 Å²	14	49.8 Å²	49.8	14%	0.144	26%	0.264	C	S	.	.			trans	-81.1	175.7	-179.6	0	0	0	0	0	115	D526 P527	D526-G529 PolarHBondContact O-N 3.23Å; D526-G529 WeakPolarHBondContact OD1-CA 3.15Å; P527-G529 PolarHBondContact O-N 2.91Å; P527-G529 VanDerWaalsContact O-N 3.14Å
530	I	95.4	Very high	94.2	Very high	20 Å²	20	47 Å²	47	10%	0.103	25%	0.25	C	S	.	.			trans	-148.9	160.3	174.3	-166.5	167.1	0	0	0	109.2	P367 K462 Y500 L539	P367-I530 HydrophobicContact CG-CD1 4.14Å; K462-I530 HydrophobicContact CD-CD1 4.13Å; Y500-I530 HydrophobicContact CD1-CB 4.08Å; Y500-I530 HydrophobicContact CD1-CD1 4.08Å; Y500-I530 HydrophobicContact CD1-CG1 4.37Å; Y500-I530 HydrophobicContact CG-CB 4.32Å; Y500-I530 HydrophobicContact CG-CD1 3.97Å; I530-L539 HydrophobicContact CG2-CB 4.18Å; I530-L539 HydrophobicContact CG2-CD2 3.74Å; I530-L539 WeakPolarHBondContact O-CB 3.36Å; I530-L539 PolarHBondContact O-N 3.08Å
531	Q	95	Very high	94.3	Very high	116 Å²	116	49.4 Å²	49.4	54%	0.542	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-72.2	143.9	170.2	-69.1	176.7	-32.1	0	0	110.7	G536 D537	Q531-G536 VanDerWaalsContact CD-O 3.3Å; Q531-G536 WeakPolarHBondContact CG-O 3.38Å; Q531-G536 PolarHBondContact NE2-O 2.95Å; Q531-D537 CarbonylContact C-O 3.59Å; Q531-D537 WeakPolarHBondContact CA-O 3.37Å
532	H	96.5	Very high	94.3	Very high	48 Å²	48	50.3 Å²	50.3	22%	0.222	27%	0.271	C	S	.	.			trans	-60.5	128.4	169.3	-171.9	-69.1	0	0	0	109.1	D534 T535 G536 D537 L539	H532-D534 VanDerWaalsContact C-N 3.33Å; H532-D534 IonicContact CE1-OD2 3.47Å; H532-D534 PolarHBondContact ND1-N 2.9Å; H532-D534 VanDerWaalsContact ND1-N 3.15Å; H532-D534 PolarHBondContact O-N 3.2Å; H532-T535 WeakPolarHBondContact CB-OG1 3.42Å; H532-G536 WeakPolarHBondContact O-CA 3.45Å; H532-G536 PolarHBondContact O-N 3.42Å; H532-D537 PolarHBondContact N-O 3.31Å; H532-L539 HydrophobicContact CB-CD1 4.44Å
533	P	94.9	Very high	94.2	Very high	53 Å²	53	52 Å²	52	34%	0.344	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-40.1	-173.4	-29.8	37.9	0	0	0	114.7	H363 G365	H363-P533 WeakPolarHBondContact ND1-CG 3.33Å; G365-P533 VanDerWaalsContact C-CG 3.45Å
534	D	97.1	Very high	94.4	Very high	113 Å²	113	56.1 Å²	56.1	60%	0.604	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-39	-176.1	-54.4	-31.6	0	0	0	114.4	H363 H532	H363-D534 IonicContact CD2-OD2 2.69Å; H363-D534 IonicContact CE1-OD1 2.81Å; H363-D534 PolarHBondContact CE1-OD1 3.46Å; H363-D534 IonicContact CE1-OD2 3.69Å; H363-D534 IonicContact NE2-OD1 3.57Å; H363-D534 PolarHBondContact NE2-OD1 3.26Å; H363-D534 IonicContact NE2-OD2 3.59Å; H363-D534 PolarHBondContact NE2-OD2 3.35Å; H532-D534 VanDerWaalsContact C-N 3.33Å; H532-D534 IonicContact CE1-OD2 3.47Å; H532-D534 PolarHBondContact ND1-N 2.9Å; H532-D534 VanDerWaalsContact ND1-N 3.15Å; H532-D534 PolarHBondContact O-N 3.2Å
535	T	96.4	Very high	94.8	Very high	98 Å²	98	55.7 Å²	55.7	60%	0.601	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-20.6	-172.5	67.1	0	0	0	0	113	H532 D537	H532-T535 WeakPolarHBondContact CB-OG1 3.42Å; T535-D537 PolarHBondContact O-N 2.85Å; T535-D537 PolarHBondContact OG1-N 3.06Å
536	G	92.1	Very high	95	Very high	36 Å²	36	51.5 Å²	51.5	37%	0.371	29%	0.286	S	S	.	.			trans	71.1	-3.2	-173.4	0	0	0	0	0	115	Q531 H532	Q531-G536 VanDerWaalsContact CD-O 3.3Å; Q531-G536 WeakPolarHBondContact CG-O 3.38Å; Q531-G536 PolarHBondContact NE2-O 2.95Å; H532-G536 WeakPolarHBondContact O-CA 3.45Å; H532-G536 PolarHBondContact O-N 3.42Å
537	D	94.1	Very high	95.1	Very high	101 Å²	101	55.3 Å²	55.3	54%	0.54	30%	0.301	S	S	.	.	S	Bend	trans	-74.6	174.7	173.2	-161.7	4.1	0	0	0	110.8	Q531 H532 T535 L539	Q531-D537 CarbonylContact C-O 3.59Å; Q531-D537 WeakPolarHBondContact CA-O 3.37Å; H532-D537 PolarHBondContact N-O 3.31Å; T535-D537 PolarHBondContact O-N 2.85Å; T535-D537 PolarHBondContact OG1-N 3.06Å; D537-L539 PolarHBondContact O-N 3.45Å
538	Y	95.2	Very high	95.1	Very high	97 Å²	97	56.2 Å²	56.2	38%	0.38	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-61.3	129.4	173.2	-61.6	-83.5	0	0	0	111.3	D526 Y540 P542	D526-Y538 HydrophobicContact CB-CD1 4.1Å; D526-Y538 HydrophobicContact CB-CE1 3.97Å; D526-Y538 VanDerWaalsContact OD2-CD1 3.27Å; D526-Y538 WeakPolarHBondContact OD2-CD1 3.27Å; D526-Y538 WeakPolarHBondContact OD2-CE1 3.42Å; Y538-Y540 VanDerWaalsContact C-N 3.27Å; Y538-Y540 WeakPolarHBondContact CB-O 3.2Å; Y538-Y540 PolarHBondContact O-N 3.14Å; Y538-P542 HydrophobicContact CD1-CG 3.91Å; Y538-P542 HydrophobicContact CD2-CG 3.61Å; Y538-P542 HydrophobicContact CE1-CG 4.05Å; Y538-P542 HydrophobicContact CE2-CG 3.76Å; Y538-P542 HydrophobicContact CG-CG 3.68Å
539	L	97.7	Very high	95	Very high	35 Å²	35	55.7 Å²	55.7	18%	0.183	30%	0.302	C	S	.	.	S	Bend	trans	-66.8	-34	173.1	179.2	61.2	0	0	0	111.6	T361 I530 H532 D537	T361-L539 HydrophobicContact CG2-CD1 4.28Å; T361-L539 HydrophobicContact CG2-CD2 3.97Å; I530-L539 HydrophobicContact CG2-CB 4.18Å; I530-L539 HydrophobicContact CG2-CD2 3.74Å; I530-L539 WeakPolarHBondContact O-CB 3.36Å; I530-L539 PolarHBondContact O-N 3.08Å; H532-L539 HydrophobicContact CB-CD1 4.44Å; D537-L539 PolarHBondContact O-N 3.45Å
540	Y	97.6	Very high	94.8	Very high	26 Å²	26	58.9 Å²	58.9	10%	0.102	32%	0.322	C	S	.	.	S	Bend	trans	-116.8	145	176.8	-50	-72	0	0	0	109.2	F359 Y500 P503 Y538 P542	F359-Y540 WeakPolarHBondContact O-CE1 3.4Å; F359-Y540 PolarHBondContact O-OH 3.02Å; Y500-Y540 WeakPolarHBondContact O-CE2 3.31Å; Y500-Y540 PolarHBondContact O-OH 2.97Å; P503-Y540 HydrophobicContact CG-CD1 4.45Å; P503-Y540 HydrophobicContact CG-CG 4.44Å; Y538-Y540 VanDerWaalsContact C-N 3.27Å; Y538-Y540 WeakPolarHBondContact CB-O 3.2Å; Y538-Y540 PolarHBondContact O-N 3.14Å; Y540-P542 WeakPolarHBondContact O-CD 3.42Å
541	D	96.1	Very high	94.5	Very high	76 Å²	76	64.7 Å²	64.7	41%	0.406	35%	0.347	S	S	.	.			trans	-54.8	130	170.2	176.8	-77.4	0	0	0	109.7	S543 H544	D541-S543 PolarHBondContact O-N 3.25Å; D541-S543 WeakPolarHBondContact OD1-CA 2.87Å; D541-S543 VanDerWaalsContact OD1-CB 3.26Å; D541-S543 WeakPolarHBondContact OD1-CB 3.44Å; D541-S543 PolarHBondContact OD1-N 3.18Å; D541-S543 PolarHBondContact OD1-OG 3.38Å; D541-H544 HydrophobicContact CB-CB 4.4Å; D541-H544 WeakPolarHBondContact O-CB 3.46Å; D541-H544 PolarHBondContact O-N 2.79Å; D541-H544 IonicContact OD1-CD2 2.95Å
542	P	93.2	Very high	94.3	Very high	23 Å²	23	59.7 Å²	59.7	15%	0.149	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.2	-173.9	-28.7	35.3	0	0	0	115.6	R525 D526 Y538 Y540	R525-P542 HydrophobicContact CG-CB 3.65Å; D526-P542 HydrophobicContact CB-CB 4.19Å; D526-P542 PolarHBondContact N-O 3.42Å; Y538-P542 HydrophobicContact CD1-CG 3.91Å; Y538-P542 HydrophobicContact CD2-CG 3.61Å; Y538-P542 HydrophobicContact CE1-CG 4.05Å; Y538-P542 HydrophobicContact CE2-CG 3.76Å; Y538-P542 HydrophobicContact CG-CG 3.68Å; Y540-P542 WeakPolarHBondContact O-CD 3.42Å
543	S	93.3	Very high	93.7	Very high	39 Å²	39	60.5 Å²	60.5	27%	0.273	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-18.8	178.1	75.6	0	0	0	0	113.8	D541 G545 S546 K547	D541-S543 PolarHBondContact O-N 3.25Å; D541-S543 WeakPolarHBondContact OD1-CA 2.87Å; D541-S543 VanDerWaalsContact OD1-CB 3.26Å; D541-S543 WeakPolarHBondContact OD1-CB 3.44Å; D541-S543 PolarHBondContact OD1-N 3.18Å; D541-S543 PolarHBondContact OD1-OG 3.38Å; S543-G545 VanDerWaalsContact C-N 3.33Å; S543-G545 PolarHBondContact O-N 3.42Å; S543-S546 PolarHBondContact O-N 3Å; S543-K547 WeakPolarHBondContact O-CG 3.46Å; S543-K547 PolarHBondContact O-N 3.3Å; S543-K547 WeakPolarHBondContact OG-CE 3.42Å; S543-K547 PolarHBondContact OG-NZ 2.99Å
544	H	96.1	Very high	92.9	Very high	90 Å²	90	59.8 Å²	59.8	42%	0.417	34%	0.337	S	S	.	.	H	α-helix	trans	-60.2	-40.7	-172.8	-78.1	-179.2	0	0	0	112.5	P503 D541 S546 K547 V548	P503-H544 HydrophobicContact CB-CB 4.41Å; P503-H544 HydrophobicContact CG-CB 3.58Å; D541-H544 HydrophobicContact CB-CB 4.4Å; D541-H544 WeakPolarHBondContact O-CB 3.46Å; D541-H544 PolarHBondContact O-N 2.79Å; D541-H544 IonicContact OD1-CD2 2.95Å; H544-S546 PolarHBondContact O-N 3.32Å; H544-K547 PolarHBondContact O-N 3.09Å; H544-V548 WeakPolarHBondContact O-CB 3.49Å; H544-V548 VanDerWaalsContact O-CG2 3.26Å; H544-V548 WeakPolarHBondContact O-CG2 3.38Å; H544-V548 PolarHBondContact O-N 3.14Å
545	G	94.9	Very high	92	Very high	2 Å²	2	55 Å²	55	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-62.6	-43.1	-178.9	0	0	0	0	0	113.4	V506 S543 L549	V506-G545 WeakPolarHBondContact CG1-O 3.32Å; S543-G545 VanDerWaalsContact C-N 3.33Å; S543-G545 PolarHBondContact O-N 3.42Å; G545-L549 VanDerWaalsContact O-CB 3.27Å; G545-L549 WeakPolarHBondContact O-CB 3.48Å; G545-L549 PolarHBondContact O-N 2.7Å; G545-L549 VanDerWaalsContact O-N 3.1Å
546	S	92.3	Very high	90.5	Very high	30 Å²	30	54.4 Å²	54.4	21%	0.21	33%	0.325	C	S	.	.	H	α-helix	trans	-66.7	-44.4	175.5	175.4	0	0	0	0	112	S543 H544 L549 S550	S543-S546 PolarHBondContact O-N 3Å; H544-S546 PolarHBondContact O-N 3.32Å; S546-L549 PolarHBondContact O-N 2.59Å; S546-S550 PolarHBondContact O-N 3.15Å; S546-S550 VanDerWaalsContact O-N 3.13Å
547	K	94.1	Very high	89.5	Confident	113 Å²	113	56.3 Å²	56.3	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-60.2	-54.4	178	-72.5	172.2	177.6	164.9	0	111	S543 H544 L549 S550 F551	S543-K547 WeakPolarHBondContact O-CG 3.46Å; S543-K547 PolarHBondContact O-N 3.3Å; S543-K547 WeakPolarHBondContact OG-CE 3.42Å; S543-K547 PolarHBondContact OG-NZ 2.99Å; H544-K547 PolarHBondContact O-N 3.09Å; K547-L549 VanDerWaalsContact C-N 3.28Å; K547-L549 PolarHBondContact O-N 3Å; K547-S550 WeakPolarHBondContact O-CB 3.33Å; K547-S550 PolarHBondContact O-N 2.88Å; K547-S550 PolarHBondContact O-OG 2.87Å; K547-F551 VanDerWaalsContact C-CE1 3.42Å; K547-F551 HydrophobicContact CB-CE1 4.21Å; K547-F551 WeakPolarHBondContact O-CD1 2.94Å; K547-F551 WeakPolarHBondContact O-CE1 3.07Å
548	V	94.7	Very high	89	Confident	37 Å²	37	52.2 Å²	52.2	22%	0.224	31%	0.311	C	S	.	.	H	α-helix	trans	-56.5	-43.9	-179.9	170.9	0	0	0	0	111.3	P503 Q507 H544 S550 F551 A552	P503-V548 HydrophobicContact CB-CB 4.26Å; P503-V548 HydrophobicContact CB-CG2 4.09Å; Q507-V548 HydrophobicContact CG-CG1 4.31Å; Q507-V548 VanDerWaalsContact NE2-CG1 3.3Å; H544-V548 WeakPolarHBondContact O-CB 3.49Å; H544-V548 VanDerWaalsContact O-CG2 3.26Å; H544-V548 WeakPolarHBondContact O-CG2 3.38Å; H544-V548 PolarHBondContact O-N 3.14Å; V548-S550 VanDerWaalsContact C-N 3.3Å; V548-S550 PolarHBondContact O-N 2.78Å; V548-F551 HydrophobicContact CB-CE2 4.35Å; V548-F551 HydrophobicContact CB-CZ 4.39Å; V548-F551 HydrophobicContact CG2-CE2 4.28Å; V548-F551 HydrophobicContact CG2-CZ 4.1Å; V548-F551 PolarHBondContact O-N 3.3Å; V548-A552 WeakPolarHBondContact O-CB 3.29Å; V548-A552 PolarHBondContact O-N 3.44Å
549	L	93.1	Very high	88.6	Confident	2 Å²	2	52 Å²	52	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-62.2	-36.8	179	-171.6	63.9	0	0	0	112.8	V506 Q507 A510 Y521 V523 G545 S546 K547 F551 A552 M555 I560	V506-L549 HydrophobicContact CG2-CD2 4.18Å; Q507-L549 HydrophobicContact CB-CD1 4.47Å; Q507-L549 HydrophobicContact CG-CD1 4.13Å; A510-L549 HydrophobicContact CB-CD1 3.74Å; A510-L549 HydrophobicContact CB-CD2 4.08Å; Y521-L549 HydrophobicContact CD1-CD2 3.71Å; Y521-L549 HydrophobicContact CE1-CD2 3.86Å; V523-L549 HydrophobicContact CB-CD2 3.89Å; V523-L549 HydrophobicContact CG1-CD2 4.23Å; V523-L549 HydrophobicContact CG2-CD2 4.01Å; G545-L549 VanDerWaalsContact O-CB 3.27Å; G545-L549 WeakPolarHBondContact O-CB 3.48Å; G545-L549 PolarHBondContact O-N 2.7Å; G545-L549 VanDerWaalsContact O-N 3.1Å; S546-L549 PolarHBondContact O-N 2.59Å; K547-L549 VanDerWaalsContact C-N 3.28Å; K547-L549 PolarHBondContact O-N 3Å; L549-F551 PolarHBondContact O-N 3.26Å; L549-A552 PolarHBondContact O-N 3.11Å; L549-M555 HydrophobicContact CD1-CE 4.06Å; L549-I560 HydrophobicContact CB-CG2 4.48Å; L549-I560 HydrophobicContact CD1-CD1 4.26Å; L549-I560 HydrophobicContact CD2-CD1 3.83Å; L549-I560 HydrophobicContact CD2-CG1 4.38Å; L549-I560 HydrophobicContact CD2-CG2 3.86Å; L549-I560 HydrophobicContact CG-CD1 3.73Å; L549-I560 HydrophobicContact CG-CG1 3.97Å; L549-I560 HydrophobicContact CG-CG2 4.03Å
550	S	90.3	Very high	88.2	Confident	81 Å²	81	51.8 Å²	51.8	57%	0.566	31%	0.312	S	S	*	.	H	α-helix	trans	-64.4	-22.4	-178.7	73.7	0	0	0	0	114.6	S546 K547 V548	S546-S550 PolarHBondContact O-N 3.15Å; S546-S550 VanDerWaalsContact O-N 3.13Å; K547-S550 WeakPolarHBondContact O-CB 3.33Å; K547-S550 PolarHBondContact O-N 2.88Å; K547-S550 PolarHBondContact O-OG 2.87Å; V548-S550 VanDerWaalsContact C-N 3.3Å; V548-S550 PolarHBondContact O-N 2.78Å
551	F	89.4	Confident	87.7	Confident	143 Å²	143	51 Å²	51	63%	0.627	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	13.9	177.2	53.7	-109.7	0	0	0	112.9	K547 V548 L549	K547-F551 VanDerWaalsContact C-CE1 3.42Å; K547-F551 HydrophobicContact CB-CE1 4.21Å; K547-F551 WeakPolarHBondContact O-CD1 2.94Å; K547-F551 WeakPolarHBondContact O-CE1 3.07Å; V548-F551 HydrophobicContact CB-CE2 4.35Å; V548-F551 HydrophobicContact CB-CZ 4.39Å; V548-F551 HydrophobicContact CG2-CE2 4.28Å; V548-F551 HydrophobicContact CG2-CZ 4.1Å; V548-F551 PolarHBondContact O-N 3.3Å; L549-F551 PolarHBondContact O-N 3.26Å
552	A	90.5	Very high	86.8	Confident	11 Å²	11	52.4 Å²	52.4	9%	0.091	32%	0.323	C	S	.	.			trans	-65.2	125.8	-179.7	0	0	0	0	0	110.7	Q507 V548 L549 M555	Q507-A552 HydrophobicContact CG-CB 4.02Å; V548-A552 WeakPolarHBondContact O-CB 3.29Å; V548-A552 PolarHBondContact O-N 3.44Å; L549-A552 PolarHBondContact O-N 3.11Å; A552-M555 HydrophobicContact CB-CG 3.94Å
553	P	83.9	Confident	85.9	Confident	64 Å²	64	53.9 Å²	53.9	42%	0.416	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	148.5	-176.9	33.5	-37.7	0	0	0	110.7	Q298 N306	Q298-P553 HydrophobicContact CG-CG 4.07Å; Q298-P553 VanDerWaalsContact NE2-CB 3.34Å; N306-P553 WeakPolarHBondContact CB-O 3.04Å; N306-P553 PolarHBondContact ND2-O 3.08Å; N306-P553 VanDerWaalsContact ND2-O 3.14Å
554	G	78.8	Confident	85.4	Confident	39 Å²	39	58.3 Å²	58.3	40%	0.402	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	17.6	-178.9	0	0	0	0	0	114.9	R304	R304-G554 WeakPolarHBondContact O-CA 3.41Å
555	M	77.7	Confident	85	Confident	11 Å²	11	56.3 Å²	56.3	5%	0.054	34%	0.336	C	S	.	.			trans	-111.5	16.2	179.7	-64.6	-63.8	-71.4	0	0	113.5	N306 A510 R511 I514 L549 A552 S557 V558	N306-M555 HydrophobicContact CB-CG 4.04Å; N306-M555 HydrophobicContact CB-SD 3.7Å; A510-M555 HydrophobicContact CB-CE 3.52Å; R511-M555 HydrophobicContact CB-CE 4.34Å; R511-M555 HydrophobicContact CB-SD 3.82Å; R511-M555 HydrophobicContact CG-SD 4.4Å; I514-M555 HydrophobicContact CD1-CE 3.69Å; I514-M555 HydrophobicContact CD1-SD 3.72Å; I514-M555 HydrophobicContact CG1-CE 4.49Å; L549-M555 HydrophobicContact CD1-CE 4.06Å; A552-M555 HydrophobicContact CB-CG 3.94Å; M555-S557 PolarHBondContact O-N 3.31Å; M555-V558 HydrophobicContact CB-CG1 4.37Å; M555-V558 HydrophobicContact CE-CG1 3.71Å; M555-V558 WeakPolarHBondContact O-CG1 3.18Å; M555-V558 PolarHBondContact O-N 2.87Å
556	G	65.8	Low	84.8	Confident	87 Å²	87	57 Å²	57	90%	0.897	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.3	-166.7	0	0	0	0	0	116.8
557	S	71.7	Confident	84.8	Confident	76 Å²	76	55.7 Å²	55.7	53%	0.531	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-1.9	178.5	56.8	0	0	0	0	114.2	I514 M555	I514-S557 VanDerWaalsContact CG2-OG 3.29Å; I514-S557 WeakPolarHBondContact CG2-OG 3.28Å; M555-S557 PolarHBondContact O-N 3.31Å
558	V	82	Confident	84.9	Confident	14 Å²	14	51 Å²	51	9%	0.085	31%	0.311	C	S	.	.	S	Bend	trans	-126.3	131.8	179.5	65.8	0	0	0	0	111.1	I514 I518 H519 M555 I560	I514-V558 HydrophobicContact CD1-CB 4.25Å; I514-V558 HydrophobicContact CD1-CG1 3.66Å; I514-V558 HydrophobicContact CG1-CB 4.12Å; I514-V558 HydrophobicContact CG1-CG1 3.96Å; I518-V558 HydrophobicContact CD1-CG2 3.76Å; I518-V558 HydrophobicContact CG1-CG2 3.99Å; H519-V558 WeakPolarHBondContact O-CA 3.33Å; M555-V558 HydrophobicContact CB-CG1 4.37Å; M555-V558 HydrophobicContact CE-CG1 3.71Å; M555-V558 WeakPolarHBondContact O-CG1 3.18Å; M555-V558 PolarHBondContact O-N 2.87Å; V558-I560 HydrophobicContact CG1-CD1 3.91Å; V558-I560 HydrophobicContact CG2-CD1 4.45Å
559	E	86.6	Confident	85	Confident	92 Å²	92	49.2 Å²	49.2	43%	0.43	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	123.3	170	-176.4	179.5	142.3	0	0	109.7	H519 Y520 Y521 L561	H519-E559 PolarHBondContact O-N 2.75Å; Y520-E559 CarbonylContact C-O 3.49Å; Y520-E559 WeakPolarHBondContact CA-O 3.29Å; Y520-E559 HydrophobicContact CD1-CB 3.73Å; Y520-E559 HydrophobicContact CD1-CG 4.19Å; Y520-E559 HydrophobicContact CE1-CB 4.04Å; Y520-E559 HydrophobicContact CE1-CG 4.44Å; Y520-E559 WeakPolarHBondContact CE1-OE2 3.34Å; Y521-E559 PolarHBondContact N-O 3.36Å; E559-L561 HydrophobicContact CG-CD2 4.24Å; E559-L561 PolarHBondContact O-N 3.1Å; E559-L561 VanDerWaalsContact OE1-CD2 3.25Å; E559-L561 WeakPolarHBondContact OE1-CD2 3.41Å
560	I	89.8	Confident	85.1	Confident	31 Å²	31	54.2 Å²	54.2	16%	0.159	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	112.4	176.8	-52.7	-54	0	0	0	108.6	V523 L549 V558 P562	V523-I560 HydrophobicContact CG1-CG2 3.61Å; L549-I560 HydrophobicContact CB-CG2 4.48Å; L549-I560 HydrophobicContact CD1-CD1 4.26Å; L549-I560 HydrophobicContact CD2-CD1 3.83Å; L549-I560 HydrophobicContact CD2-CG1 4.38Å; L549-I560 HydrophobicContact CD2-CG2 3.86Å; L549-I560 HydrophobicContact CG-CD1 3.73Å; L549-I560 HydrophobicContact CG-CG1 3.97Å; L549-I560 HydrophobicContact CG-CG2 4.03Å; V558-I560 HydrophobicContact CG1-CD1 3.91Å; V558-I560 HydrophobicContact CG2-CD1 4.45Å; I560-P562 WeakPolarHBondContact O-CD 3.46Å
561	L	87	Confident	85.3	Confident	11 Å²	11	55 Å²	55	6%	0.058	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	116.4	178.8	-64.8	178.8	0	0	0	109.5	T438 Y520 Y521 I522 V523 E559	T438-L561 HydrophobicContact CG2-CD1 3.5Å; T438-L561 VanDerWaalsContact CG2-CD1 3.5Å; Y520-L561 HydrophobicContact CD1-CD1 4.2Å; Y520-L561 HydrophobicContact CD1-CD2 4.28Å; Y520-L561 HydrophobicContact CD1-CG 4.3Å; Y520-L561 HydrophobicContact CG-CD1 4.34Å; Y521-L561 PolarHBondContact O-N 2.77Å; I522-L561 HydrophobicContact CG1-CD1 4.45Å; V523-L561 PolarHBondContact N-O 2.72Å; E559-L561 HydrophobicContact CG-CD2 4.24Å; E559-L561 PolarHBondContact O-N 3.1Å; E559-L561 VanDerWaalsContact OE1-CD2 3.25Å; E559-L561 WeakPolarHBondContact OE1-CD2 3.41Å
562	P	76.9	Confident	85.5	Confident	104 Å²	104	50.9 Å²	50.9	68%	0.675	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	146.3	179.8	28.2	-34.2	0	0	0	111	I560	I560-P562 WeakPolarHBondContact O-CD 3.46Å
563	F	76	Confident	85.8	Confident	54 Å²	54	56.4 Å²	56.4	24%	0.237	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-82	134.2	-179.1	175.5	-97.1	0	0	0	112.6	L434 V523 R525 V565	L434-F563 HydrophobicContact CD1-CD2 3.52Å; L434-F563 HydrophobicContact CD1-CE2 3.13Å; L434-F563 HydrophobicContact CD1-CZ 4.09Å; L434-F563 HydrophobicContact CD2-CD2 3.94Å; L434-F563 HydrophobicContact CD2-CE2 4.3Å; L434-F563 HydrophobicContact CG-CD2 4.39Å; L434-F563 HydrophobicContact CG-CE2 4.33Å; V523-F563 WeakPolarHBondContact O-CB 3.38Å; R525-F563 HydrophobicContact CB-CD1 4.18Å; R525-F563 HydrophobicContact CB-CE1 3.76Å; R525-F563 HydrophobicContact CB-CZ 4.4Å; F563-V565 HydrophobicContact CD1-CG2 4.08Å; F563-V565 VanDerWaalsContact CE1-CA 3.42Å; F563-V565 HydrophobicContact CE1-CB 4.12Å; F563-V565 HydrophobicContact CE1-CG2 3.85Å
564	K	82.5	Confident	86.4	Confident	133 Å²	133	60.2 Å²	60.2	58%	0.578	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-93.3	127.5	161	-65.5	-176.3	-175	-179.8	0	108.2	L434 A566 Y577	L434-K564 WeakPolarHBondContact CD2-O 3.49Å; K564-A566 PolarHBondContact O-N 3.13Å; K564-Y577 HydrophobicContact CB-CD1 3.31Å; K564-Y577 HydrophobicContact CB-CD2 4.5Å; K564-Y577 HydrophobicContact CB-CE1 3.46Å; K564-Y577 VanDerWaalsContact CB-CE1 3.46Å; K564-Y577 HydrophobicContact CB-CG 3.89Å; K564-Y577 HydrophobicContact CD-CD1 4.26Å; K564-Y577 HydrophobicContact CD-CD2 3.98Å; K564-Y577 HydrophobicContact CD-CE1 4.28Å; K564-Y577 HydrophobicContact CD-CE2 3.96Å; K564-Y577 HydrophobicContact CD-CG 4.12Å; K564-Y577 HydrophobicContact CG-CD1 4.44Å; K564-Y577 HydrophobicContact CG-CE1 4.46Å
565	V	86.2	Confident	87.1	Confident	48 Å²	48	59.2 Å²	59.2	29%	0.291	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-63.2	121.7	179.4	179.9	0	0	0	0	109	F563 Y577 F578 F588	F563-V565 HydrophobicContact CD1-CG2 4.08Å; F563-V565 VanDerWaalsContact CE1-CA 3.42Å; F563-V565 HydrophobicContact CE1-CB 4.12Å; F563-V565 HydrophobicContact CE1-CG2 3.85Å; V565-Y577 CarbonylContact O-C 3.6Å; V565-Y577 WeakPolarHBondContact O-CA 3.13Å; V565-F578 HydrophobicContact CB-CB 4.13Å; V565-F578 HydrophobicContact CG1-CB 4.02Å; V565-F578 WeakPolarHBondContact O-CB 3.31Å; V565-F578 PolarHBondContact O-N 2.61Å; V565-F588 HydrophobicContact CG1-CE1 3.54Å; V565-F588 HydrophobicContact CG1-CZ 3.98Å
566	A	90.7	Very high	88	Confident	16 Å²	16	60.1 Å²	60.1	13%	0.132	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	135.4	171.9	0	0	0	0	0	110.2	L433 K564 M575 E576 Y577	L433-A566 HydrophobicContact CD2-CB 4.34Å; K564-A566 PolarHBondContact O-N 3.13Å; A566-M575 HydrophobicContact CB-CE 4.5Å; A566-E576 CarbonylContact C-O 3.3Å; A566-E576 VanDerWaalsContact CA-O 3.27Å; A566-E576 WeakPolarHBondContact CA-O 3.19Å; A566-Y577 HydrophobicContact CB-CD1 4.33Å
567	A	93.4	Very high	89.3	Confident	2 Å²	2	58.9 Å²	58.9	2%	0.017	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	164.1	178.3	0	0	0	0	0	110.3	N569 E576 F578 F586 F588	A567-N569 PolarHBondContact O-N 3.43Å; A567-E576 PolarHBondContact N-O 3.06Å; A567-E576 PolarHBondContact O-N 2.92Å; A567-E576 VanDerWaalsContact O-O 3.11Å; A567-F578 HydrophobicContact CB-CB 4.48Å; A567-F586 HydrophobicContact CB-CB 4.11Å; A567-F586 HydrophobicContact CB-CD1 3.72Å; A567-F586 HydrophobicContact CB-CG 4.3Å; A567-F588 HydrophobicContact CB-CD1 4.11Å; A567-F588 HydrophobicContact CB-CD2 4.44Å; A567-F588 HydrophobicContact CB-CE1 3.87Å; A567-F588 HydrophobicContact CB-CE2 4.22Å; A567-F588 HydrophobicContact CB-CG 4.4Å; A567-F588 HydrophobicContact CB-CZ 3.93Å
568	Y	96	Very high	90.3	Very high	15 Å²	15	57.9 Å²	57.9	6%	0.059	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	117.6	-179.7	-177.5	-103.9	0	0	0	109.9	K570 K573 M575 F586 D587 I589 P605 D606 F608	Y568-K570 HydrophobicContact CD1-CG 4.25Å; Y568-K570 HydrophobicContact CE1-CG 4.44Å; Y568-K570 PolarHBondContact O-N 3.32Å; Y568-K573 VanDerWaalsContact OH-CA 3.32Å; Y568-K573 WeakPolarHBondContact OH-CA 3.48Å; Y568-M575 VanDerWaalsContact CA-SD 3.58Å; Y568-M575 HydrophobicContact CD2-SD 4.02Å; Y568-M575 HydrophobicContact CG-SD 4.43Å; Y568-F586 CarbonylContact O-C 3.39Å; Y568-F586 VanDerWaalsContact O-CA 3.31Å; Y568-F586 WeakPolarHBondContact O-CA 3.47Å; Y568-D587 WeakPolarHBondContact CB-O 3.25Å; Y568-D587 HydrophobicContact CD1-CB 4.46Å; Y568-D587 PolarHBondContact N-O 2.84Å; Y568-D587 PolarHBondContact O-N 3.06Å; Y568-I589 HydrophobicContact CG-CD1 4.47Å; Y568-P605 HydrophobicContact CD1-CB 4.16Å; Y568-P605 HydrophobicContact CE1-CB 3.5Å; Y568-P605 VanDerWaalsContact CE1-CB 3.5Å; Y568-P605 HydrophobicContact CE1-CG 4.23Å; Y568-P605 HydrophobicContact CE2-CB 3.94Å; Y568-P605 WeakPolarHBondContact OH-CB 3.47Å; Y568-D606 WeakPolarHBondContact CE2-O 3.35Å; Y568-D606 VanDerWaalsContact CZ-O 3.3Å; Y568-D606 PolarHBondContact OH-O 3.11Å; Y568-F608 HydrophobicContact CD2-CB 4.32Å
569	N	96.6	Very high	90.8	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	113.7	173.1	-175.3	-34.8	0	0	0	109.1	A567 T571 T572 K573 R574 E576 F586	A567-N569 PolarHBondContact O-N 3.43Å; N569-T571 VanDerWaalsContact C-N 3.25Å; N569-T571 PolarHBondContact O-N 2.9Å; N569-T571 WeakPolarHBondContact OD1-CA 3.35Å; N569-T571 WeakPolarHBondContact OD1-CB 3.46Å; N569-T571 PolarHBondContact OD1-N 3.36Å; N569-T572 VanDerWaalsContact CB-OG1 3.27Å; N569-T572 WeakPolarHBondContact CB-OG1 3.16Å; N569-T572 PolarHBondContact OD1-N 3.26Å; N569-T572 VanDerWaalsContact OD1-N 3.1Å; N569-T572 PolarHBondContact OD1-OG1 3.15Å; N569-K573 VanDerWaalsContact O-CA 3.3Å; N569-K573 WeakPolarHBondContact O-CA 3.31Å; N569-K573 PolarHBondContact O-N 2.94Å; N569-R574 PolarHBondContact N-O 3.08Å; N569-R574 PolarHBondContact O-N 3.12Å; N569-E576 HydrophobicContact CB-CB 4.37Å; N569-E576 HydrophobicContact CB-CG 4.22Å; N569-E576 PolarHBondContact ND2-OE2 3.38Å; N569-F586 HydrophobicContact CB-CD1 4.31Å; N569-F586 HydrophobicContact CB-CE1 4.1Å
570	K	95.6	Very high	91	Very high	107 Å²	107	61.6 Å²	61.6	47%	0.465	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-28.1	-177.9	-64.6	174.6	-68.4	-175.4	0	112.7	Y568 D584 D585 D587	Y568-K570 HydrophobicContact CD1-CG 4.25Å; Y568-K570 HydrophobicContact CE1-CG 4.44Å; Y568-K570 PolarHBondContact O-N 3.32Å; K570-D584 WeakPolarHBondContact CE-O 3.43Å; K570-D584 PolarHBondContact NZ-O 2.82Å; K570-D585 WeakPolarHBondContact CB-O 3.44Å; K570-D585 VanDerWaalsContact CE-O 3.31Å; K570-D585 WeakPolarHBondContact CE-O 3.13Å; K570-D585 PolarHBondContact N-O 3.45Å; K570-D587 HydrophobicContact CD-CB 4.24Å; K570-D587 HydrophobicContact CG-CB 4.15Å
571	T	93.9	Very high	91.2	Very high	97 Å²	97	67.5 Å²	67.5	60%	0.595	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-45.9	-177.2	-56.7	0	0	0	0	110.9	N569 D585	N569-T571 VanDerWaalsContact C-N 3.25Å; N569-T571 PolarHBondContact O-N 2.9Å; N569-T571 WeakPolarHBondContact OD1-CA 3.35Å; N569-T571 WeakPolarHBondContact OD1-CB 3.46Å; N569-T571 PolarHBondContact OD1-N 3.36Å; T571-D585 PolarHBondContact OG1-OD1 2.88Å
572	T	95.1	Very high	91.5	Very high	56 Å²	56	72 Å²	72	34%	0.344	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-5.5	179.2	59	0	0	0	0	113.7	N569 R574 E576	N569-T572 VanDerWaalsContact CB-OG1 3.27Å; N569-T572 WeakPolarHBondContact CB-OG1 3.16Å; N569-T572 PolarHBondContact OD1-N 3.26Å; N569-T572 VanDerWaalsContact OD1-N 3.1Å; N569-T572 PolarHBondContact OD1-OG1 3.15Å; T572-R574 VanDerWaalsContact C-N 3.32Å; T572-R574 PolarHBondContact O-N 2.89Å; T572-E576 WeakPolarHBondContact CB-OE1 3.4Å; T572-E576 WeakPolarHBondContact CG2-OE1 3.34Å; T572-E576 VanDerWaalsContact OG1-CD 3.29Å; T572-E576 PolarHBondContact OG1-OE1 3.38Å
573	K	95.7	Very high	92.3	Very high	128 Å²	128	72.6 Å²	72.6	56%	0.557	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	44.3	179.8	-60.9	-174.7	177.3	-173.9	0	113.6	Y568 N569 D606	Y568-K573 VanDerWaalsContact OH-CA 3.32Å; Y568-K573 WeakPolarHBondContact OH-CA 3.48Å; N569-K573 VanDerWaalsContact O-CA 3.3Å; N569-K573 WeakPolarHBondContact O-CA 3.31Å; N569-K573 PolarHBondContact O-N 2.94Å; K573-D606 CarbonylContact C-O 3.53Å
574	R	95.6	Very high	93.2	Very high	143 Å²	143	75.9 Å²	75.9	54%	0.54	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	166.3	178.6	66.7	-171.2	-178.9	-167.6	-1.3	110.9	N569 T572 E576	N569-R574 PolarHBondContact N-O 3.08Å; N569-R574 PolarHBondContact O-N 3.12Å; T572-R574 VanDerWaalsContact C-N 3.32Å; T572-R574 PolarHBondContact O-N 2.89Å; R574-E576 HydrophobicContact CG-CG 3.98Å; R574-E576 IonicContact CZ-OE1 3.54Å; R574-E576 VanDerWaalsContact CZ-OE1 3.24Å; R574-E576 IonicContact NE-OE1 3.91Å; R574-E576 PolarHBondContact NE-OE1 2.63Å; R574-E576 IonicContact NH2-OE1 3.2Å; R574-E576 PolarHBondContact NH2-OE1 2.8Å
575	M	95	Very high	93.9	Very high	18 Å²	18	71.6 Å²	71.6	9%	0.089	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	128.4	172.6	-62.6	-64.1	-61.7	0	0	109.6	N429 G430 A566 Y568 F608	N429-M575 HydrophobicContact CB-CB 4.13Å; N429-M575 HydrophobicContact CB-CG 3.66Å; G430-M575 VanDerWaalsContact N-CG 3.33Å; A566-M575 HydrophobicContact CB-CE 4.5Å; Y568-M575 VanDerWaalsContact CA-SD 3.58Å; Y568-M575 HydrophobicContact CD2-SD 4.02Å; Y568-M575 HydrophobicContact CG-SD 4.43Å; M575-F608 HydrophobicContact SD-CD2 3.79Å; M575-F608 HydrophobicContact SD-CE2 4.39Å
576	E	95.1	Very high	94.3	Very high	31 Å²	31	70 Å²	70	15%	0.145	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	163.7	176.8	-66.8	-177.9	178.4	0	0	109.5	A566 A567 N569 T572 R574 F578 F586	A566-E576 CarbonylContact C-O 3.3Å; A566-E576 VanDerWaalsContact CA-O 3.27Å; A566-E576 WeakPolarHBondContact CA-O 3.19Å; A567-E576 PolarHBondContact N-O 3.06Å; A567-E576 PolarHBondContact O-N 2.92Å; A567-E576 VanDerWaalsContact O-O 3.11Å; N569-E576 HydrophobicContact CB-CB 4.37Å; N569-E576 HydrophobicContact CB-CG 4.22Å; N569-E576 PolarHBondContact ND2-OE2 3.38Å; T572-E576 WeakPolarHBondContact CB-OE1 3.4Å; T572-E576 WeakPolarHBondContact CG2-OE1 3.34Å; T572-E576 VanDerWaalsContact OG1-CD 3.29Å; T572-E576 PolarHBondContact OG1-OE1 3.38Å; R574-E576 HydrophobicContact CG-CG 3.98Å; R574-E576 IonicContact CZ-OE1 3.54Å; R574-E576 VanDerWaalsContact CZ-OE1 3.24Å; R574-E576 IonicContact NE-OE1 3.91Å; R574-E576 PolarHBondContact NE-OE1 2.63Å; R574-E576 IonicContact NH2-OE1 3.2Å; R574-E576 PolarHBondContact NH2-OE1 2.8Å; E576-F578 PolarHBondContact O-N 2.83Å; E576-F586 HydrophobicContact CB-CE1 3.98Å; E576-F586 HydrophobicContact CB-CZ 4.45Å
577	Y	93.9	Very high	94.4	Very high	60 Å²	60	71 Å²	71	24%	0.235	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	132.9	168.3	-64	-53.3	0	0	0	110.4	L433 L434 D437 K564 V565 A566 D579 F586	L433-Y577 HydrophobicContact CD2-CD1 4.23Å; L433-Y577 HydrophobicContact CD2-CE1 4.02Å; L433-Y577 HydrophobicContact CD2-CE2 4.41Å; L433-Y577 HydrophobicContact CD2-CG 4.5Å; L433-Y577 HydrophobicContact CG-CE1 4.28Å; L434-Y577 HydrophobicContact CD2-CE1 3.7Å; L434-Y577 HydrophobicContact CG-CE1 4.29Å; D437-Y577 WeakPolarHBondContact CB-OH 3.45Å; D437-Y577 VanDerWaalsContact CG-OH 3.25Å; D437-Y577 WeakPolarHBondContact OD2-CE2 3.33Å; D437-Y577 PolarHBondContact OD2-OH 3.36Å; K564-Y577 HydrophobicContact CB-CD1 3.31Å; K564-Y577 HydrophobicContact CB-CD2 4.5Å; K564-Y577 HydrophobicContact CB-CE1 3.46Å; K564-Y577 VanDerWaalsContact CB-CE1 3.46Å; K564-Y577 HydrophobicContact CB-CG 3.89Å; K564-Y577 HydrophobicContact CD-CD1 4.26Å; K564-Y577 HydrophobicContact CD-CD2 3.98Å; K564-Y577 HydrophobicContact CD-CE1 4.28Å; K564-Y577 HydrophobicContact CD-CE2 3.96Å; K564-Y577 HydrophobicContact CD-CG 4.12Å; K564-Y577 HydrophobicContact CG-CD1 4.44Å; K564-Y577 HydrophobicContact CG-CE1 4.46Å; V565-Y577 CarbonylContact O-C 3.6Å; V565-Y577 WeakPolarHBondContact O-CA 3.13Å; A566-Y577 HydrophobicContact CB-CD1 4.33Å; Y577-D579 PolarHBondContact O-N 3.18Å; Y577-F586 WeakPolarHBondContact O-CE1 3.5Å; Y577-F586 WeakPolarHBondContact O-CZ 3.33Å
578	F	92.3	Very high	94.3	Very high	55 Å²	55	75.5 Å²	75.5	24%	0.241	36%	0.356	C	S	.	.			trans	-59.7	124.9	178	177.3	-104.6	0	0	0	109.9	V565 A567 E576 Q580 K583 F586 F588	V565-F578 HydrophobicContact CB-CB 4.13Å; V565-F578 HydrophobicContact CG1-CB 4.02Å; V565-F578 WeakPolarHBondContact O-CB 3.31Å; V565-F578 PolarHBondContact O-N 2.61Å; A567-F578 HydrophobicContact CB-CB 4.48Å; E576-F578 PolarHBondContact O-N 2.83Å; F578-Q580 HydrophobicContact CE1-CB 4.38Å; F578-Q580 VanDerWaalsContact CE1-OE1 3.29Å; F578-K583 HydrophobicContact CE2-CB 4.07Å; F578-K583 HydrophobicContact CZ-CB 3.95Å; F578-F586 HydrophobicContact CD2-CB 3.87Å; F578-F586 HydrophobicContact CD2-CD1 4.33Å; F578-F586 AromaticContact CD2-CD2 3.92Å; F578-F586 HydrophobicContact CD2-CD2 3.92Å; F578-F586 AromaticContact CD2-CG 3.78Å; F578-F586 HydrophobicContact CD2-CG 3.78Å; F578-F586 HydrophobicContact CE2-CB 4.14Å; F578-F586 HydrophobicContact CE2-CD2 4.27Å; F578-F586 HydrophobicContact CE2-CG 4.34Å; F578-F588 HydrophobicContact CB-CZ 4.28Å; F578-F588 HydrophobicContact CD1-CZ 4.41Å; F578-F588 AromaticContact CD2-CE2 3.63Å; F578-F588 HydrophobicContact CD2-CE2 3.63Å; F578-F588 AromaticContact CD2-CZ 3.53Å; F578-F588 HydrophobicContact CD2-CZ 3.53Å; F578-F588 AromaticContact CE2-CE2 3.64Å; F578-F588 HydrophobicContact CE2-CE2 3.64Å; F578-F588 AromaticContact CE2-CZ 3.92Å; F578-F588 HydrophobicContact CE2-CZ 3.92Å; F578-F588 HydrophobicContact CG-CE2 4.36Å; F578-F588 AromaticContact CG-CZ 3.81Å; F578-F588 HydrophobicContact CG-CZ 3.81Å; F578-F588 HydrophobicContact CZ-CE2 4.37Å; F578-F588 HydrophobicContact CZ-CZ 4.5Å
579	D	93	Very high	94	Very high	58 Å²	58	75.7 Å²	75.7	31%	0.31	36%	0.358	S	S	.	.			trans	-110.8	117.7	175.9	-179.7	-6.7	0	0	0	108.3	Y577 D581 R582 K583 F586	Y577-D579 PolarHBondContact O-N 3.18Å; D579-D581 PolarHBondContact O-N 2.77Å; D579-D581 PolarHBondContact OD1-N 3.41Å; D579-R582 HydrophobicContact CB-CB 4.26Å; D579-R582 CarbonylContact O-C 3.44Å; D579-R582 VanDerWaalsContact O-C 3.3Å; D579-R582 PolarHBondContact O-N 3.41Å; D579-R582 VanDerWaalsContact O-N 3.12Å; D579-R582 WeakPolarHBondContact OD2-CD 3.24Å; D579-K583 PolarHBondContact O-N 2.95Å; D579-K583 VanDerWaalsContact O-N 3.13Å; D579-F586 HydrophobicContact CB-CE2 3.87Å; D579-F586 HydrophobicContact CB-CZ 4.18Å
580	Q	91.1	Very high	93.3	Very high	127 Å²	127	78.7 Å²	78.7	59%	0.593	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-63.5	-32.4	-177.1	-175.5	66.6	39.7	0	0	111.9	F578 R582 K583	F578-Q580 HydrophobicContact CE1-CB 4.38Å; F578-Q580 VanDerWaalsContact CE1-OE1 3.29Å; Q580-R582 PolarHBondContact O-N 3.31Å; Q580-K583 PolarHBondContact O-N 3.37Å
581	D	94.8	Very high	92.6	Very high	154 Å²	154	75.2 Å²	75.2	82%	0.824	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-74.4	-17.6	-179.9	-63.6	-32.2	0	0	0	111.6	D579	D579-D581 PolarHBondContact O-N 2.77Å; D579-D581 PolarHBondContact OD1-N 3.41Å
582	R	92.9	Very high	92.1	Very high	105 Å²	105	73.3 Å²	73.3	40%	0.396	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-120.6	28.7	179.1	-62.3	176.3	58.4	-163.6	-2.9	112.3	D579 Q580 D584 D585 F586	D579-R582 HydrophobicContact CB-CB 4.26Å; D579-R582 CarbonylContact O-C 3.44Å; D579-R582 VanDerWaalsContact O-C 3.3Å; D579-R582 PolarHBondContact O-N 3.41Å; D579-R582 VanDerWaalsContact O-N 3.12Å; D579-R582 WeakPolarHBondContact OD2-CD 3.24Å; Q580-R582 PolarHBondContact O-N 3.31Å; R582-D584 PolarHBondContact O-N 3.19Å; R582-D585 IonicContact CZ-OD2 3.25Å; R582-D585 VanDerWaalsContact CZ-OD2 3.25Å; R582-D585 IonicContact NE-OD2 2.91Å; R582-D585 PolarHBondContact NE-OD2 3.47Å; R582-D585 IonicContact NH2-OD2 2.75Å; R582-D585 PolarHBondContact NH2-OD2 3.39Å; R582-D585 WeakPolarHBondContact O-CB 3.27Å; R582-D585 PolarHBondContact O-N 2.84Å; R582-F586 HydrophobicContact CB-CE2 4.26Å; R582-F586 VanDerWaalsContact O-CD2 3.32Å; R582-F586 WeakPolarHBondContact O-CD2 3.5Å
583	K	93.1	Very high	91.8	Very high	117 Å²	117	74.9 Å²	74.9	51%	0.509	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-49.8	-33.8	-173.5	69.7	-178	-175.7	178.3	0	114.3	F578 D579 Q580 D585 F586	F578-K583 HydrophobicContact CE2-CB 4.07Å; F578-K583 HydrophobicContact CZ-CB 3.95Å; D579-K583 PolarHBondContact O-N 2.95Å; D579-K583 VanDerWaalsContact O-N 3.13Å; Q580-K583 PolarHBondContact O-N 3.37Å; K583-D585 PolarHBondContact O-N 3.35Å; K583-F586 PolarHBondContact O-N 3.36Å; K583-F586 VanDerWaalsContact O-N 3.14Å
584	D	95.4	Very high	91.6	Very high	124 Å²	124	69.3 Å²	69.3	66%	0.663	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-73.5	-16.2	-177.4	-63.4	-30.3	0	0	0	112.7	K570 R582 F586	K570-D584 WeakPolarHBondContact CE-O 3.43Å; K570-D584 PolarHBondContact NZ-O 2.82Å; R582-D584 PolarHBondContact O-N 3.19Å; D584-F586 VanDerWaalsContact C-N 3.28Å
585	D	95.7	Very high	91.3	Very high	42 Å²	42	64 Å²	64	23%	0.225	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-74.2	-20.5	171.1	-73.5	-22.5	0	0	0	111.9	K570 T571 R582 K583	K570-D585 WeakPolarHBondContact CB-O 3.44Å; K570-D585 VanDerWaalsContact CE-O 3.31Å; K570-D585 WeakPolarHBondContact CE-O 3.13Å; K570-D585 PolarHBondContact N-O 3.45Å; T571-D585 PolarHBondContact OG1-OD1 2.88Å; R582-D585 IonicContact CZ-OD2 3.25Å; R582-D585 VanDerWaalsContact CZ-OD2 3.25Å; R582-D585 IonicContact NE-OD2 2.91Å; R582-D585 PolarHBondContact NE-OD2 3.47Å; R582-D585 IonicContact NH2-OD2 2.75Å; R582-D585 PolarHBondContact NH2-OD2 3.39Å; R582-D585 WeakPolarHBondContact O-CB 3.27Å; R582-D585 PolarHBondContact O-N 2.84Å; K583-D585 PolarHBondContact O-N 3.35Å
586	F	95.3	Very high	91.1	Very high	14 Å²	14	68 Å²	68	6%	0.061	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	145.6	-170.7	-67.4	-88.1	0	0	0	113.6	A567 Y568 N569 E576 Y577 F578 D579 R582 K583 D584	A567-F586 HydrophobicContact CB-CB 4.11Å; A567-F586 HydrophobicContact CB-CD1 3.72Å; A567-F586 HydrophobicContact CB-CG 4.3Å; Y568-F586 CarbonylContact O-C 3.39Å; Y568-F586 VanDerWaalsContact O-CA 3.31Å; Y568-F586 WeakPolarHBondContact O-CA 3.47Å; N569-F586 HydrophobicContact CB-CD1 4.31Å; N569-F586 HydrophobicContact CB-CE1 4.1Å; E576-F586 HydrophobicContact CB-CE1 3.98Å; E576-F586 HydrophobicContact CB-CZ 4.45Å; Y577-F586 WeakPolarHBondContact O-CE1 3.5Å; Y577-F586 WeakPolarHBondContact O-CZ 3.33Å; F578-F586 HydrophobicContact CD2-CB 3.87Å; F578-F586 HydrophobicContact CD2-CD1 4.33Å; F578-F586 AromaticContact CD2-CD2 3.92Å; F578-F586 HydrophobicContact CD2-CD2 3.92Å; F578-F586 AromaticContact CD2-CG 3.78Å; F578-F586 HydrophobicContact CD2-CG 3.78Å; F578-F586 HydrophobicContact CE2-CB 4.14Å; F578-F586 HydrophobicContact CE2-CD2 4.27Å; F578-F586 HydrophobicContact CE2-CG 4.34Å; D579-F586 HydrophobicContact CB-CE2 3.87Å; D579-F586 HydrophobicContact CB-CZ 4.18Å; R582-F586 HydrophobicContact CB-CE2 4.26Å; R582-F586 VanDerWaalsContact O-CD2 3.32Å; R582-F586 WeakPolarHBondContact O-CD2 3.5Å; K583-F586 PolarHBondContact O-N 3.36Å; K583-F586 VanDerWaalsContact O-N 3.14Å; D584-F586 VanDerWaalsContact C-N 3.28Å
587	D	93.3	Very high	91.1	Very high	37 Å²	37	67.5 Å²	67.5	20%	0.198	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.7	170.1	-174	8.3	0	0	0	110	Y568 K570 I589 R593	Y568-D587 WeakPolarHBondContact CB-O 3.25Å; Y568-D587 HydrophobicContact CD1-CB 4.46Å; Y568-D587 PolarHBondContact N-O 2.84Å; Y568-D587 PolarHBondContact O-N 3.06Å; K570-D587 HydrophobicContact CD-CB 4.24Å; K570-D587 HydrophobicContact CG-CB 4.15Å; D587-I589 PolarHBondContact O-N 3.35Å; D587-R593 IonicContact OD1-CZ 3.44Å; D587-R593 IonicContact OD1-NH1 3.94Å; D587-R593 PolarHBondContact OD1-NH1 2.73Å; D587-R593 IonicContact OD2-CZ 2.59Å; D587-R593 IonicContact OD2-NH1 2.85Å; D587-R593 PolarHBondContact OD2-NH1 2.88Å; D587-R593 IonicContact OD2-NH2 3.98Å; D587-R593 PolarHBondContact OD2-NH2 2.66Å
588	F	91.1	Very high	91	Very high	97 Å²	97	64.8 Å²	64.8	43%	0.425	32%	0.324	S	S	.	.			trans	-91.9	94.2	176.9	-76.4	-89.6	0	0	0	110.1	V565 A567 F578 S590	V565-F588 HydrophobicContact CG1-CE1 3.54Å; V565-F588 HydrophobicContact CG1-CZ 3.98Å; A567-F588 HydrophobicContact CB-CD1 4.11Å; A567-F588 HydrophobicContact CB-CD2 4.44Å; A567-F588 HydrophobicContact CB-CE1 3.87Å; A567-F588 HydrophobicContact CB-CE2 4.22Å; A567-F588 HydrophobicContact CB-CG 4.4Å; A567-F588 HydrophobicContact CB-CZ 3.93Å; F578-F588 HydrophobicContact CB-CZ 4.28Å; F578-F588 HydrophobicContact CD1-CZ 4.41Å; F578-F588 AromaticContact CD2-CE2 3.63Å; F578-F588 HydrophobicContact CD2-CE2 3.63Å; F578-F588 AromaticContact CD2-CZ 3.53Å; F578-F588 HydrophobicContact CD2-CZ 3.53Å; F578-F588 AromaticContact CE2-CE2 3.64Å; F578-F588 HydrophobicContact CE2-CE2 3.64Å; F578-F588 AromaticContact CE2-CZ 3.92Å; F578-F588 HydrophobicContact CE2-CZ 3.92Å; F578-F588 HydrophobicContact CG-CE2 4.36Å; F578-F588 AromaticContact CG-CZ 3.81Å; F578-F588 HydrophobicContact CG-CZ 3.81Å; F578-F588 HydrophobicContact CZ-CE2 4.37Å; F578-F588 HydrophobicContact CZ-CZ 4.5Å; F588-S590 PolarHBondContact O-N 2.83Å
589	I	88.6	Confident	90.9	Very high	19 Å²	19	66.6 Å²	66.6	10%	0.097	33%	0.332	C	S	.	.			trans	-82.3	102	176.5	-56.8	172.7	0	0	0	109	Y568 D587 R593 M594 P605 F608	Y568-I589 HydrophobicContact CG-CD1 4.47Å; D587-I589 PolarHBondContact O-N 3.35Å; I589-R593 HydrophobicContact CG2-CB 4.37Å; I589-R593 HydrophobicContact CG2-CG 4.32Å; I589-M594 HydrophobicContact CG2-CB 4.42Å; I589-P605 HydrophobicContact CD1-CG 3.93Å; I589-F608 HydrophobicContact CB-CD2 4.28Å; I589-F608 HydrophobicContact CB-CE2 3.7Å; I589-F608 HydrophobicContact CB-CZ 4.08Å; I589-F608 HydrophobicContact CD1-CD2 3.64Å; I589-F608 HydrophobicContact CD1-CE2 3.98Å; I589-F608 HydrophobicContact CD1-CG 4.04Å; I589-F608 HydrophobicContact CG1-CD2 4.48Å; I589-F608 HydrophobicContact CG1-CE2 4.39Å; I589-F608 HydrophobicContact CG2-CE1 4.33Å; I589-F608 HydrophobicContact CG2-CE2 3.91Å; I589-F608 HydrophobicContact CG2-CZ 3.76Å
590	S	82.7	Confident	90.8	Very high	64 Å²	64	70.7 Å²	70.7	45%	0.448	35%	0.347	S	S	.	.			trans	-68.1	158.9	177.6	74.1	0	0	0	0	112.4	F588 T592 R593 M594	F588-S590 PolarHBondContact O-N 2.83Å; S590-T592 PolarHBondContact O-N 3.43Å; S590-R593 PolarHBondContact O-N 2.79Å; S590-R593 VanDerWaalsContact O-N 3.12Å; S590-R593 PolarHBondContact OG-N 3.11Å; S590-R593 VanDerWaalsContact OG-N 3.12Å; S590-M594 WeakPolarHBondContact O-CB 3.49Å; S590-M594 PolarHBondContact O-N 2.82Å
591	G	81.7	Confident	90.6	Very high	33 Å²	33	67.4 Å²	67.4	34%	0.34	35%	0.347	S	S	.	.	H	α-helix	trans	-57.2	-34.3	172.7	0	0	0	0	0	112.7	R595	G591-R595 VanDerWaalsContact O-CG 3.3Å; G591-R595 WeakPolarHBondContact O-CG 3.35Å; G591-R595 PolarHBondContact O-N 3.35Å; G591-R595 PolarHBondContact O-NH1 2.96Å
592	T	83.2	Confident	90.6	Very high	57 Å²	57	64.3 Å²	64.3	35%	0.35	33%	0.328	S	S	.	.	H	α-helix	trans	-65.9	-45.9	174.9	-58.4	0	0	0	0	111.7	S590 R595 Q596	S590-T592 PolarHBondContact O-N 3.43Å; T592-R595 PolarHBondContact O-N 3.14Å; T592-R595 PolarHBondContact OG1-NH2 2.99Å; T592-R595 VanDerWaalsContact OG1-NH2 3.16Å; T592-Q596 WeakPolarHBondContact O-CG 2.99Å; T592-Q596 PolarHBondContact O-N 3.03Å
593	R	89.3	Confident	90.6	Very high	90 Å²	90	66 Å²	66	34%	0.34	34%	0.34	S	S	.	.	H	α-helix	trans	-62.9	-43.6	175.9	-176.2	174.6	170.6	-159.9	-6.3	111.1	D587 I589 S590 R595 Q596 L597	D587-R593 IonicContact OD1-CZ 3.44Å; D587-R593 IonicContact OD1-NH1 3.94Å; D587-R593 PolarHBondContact OD1-NH1 2.73Å; D587-R593 IonicContact OD2-CZ 2.59Å; D587-R593 IonicContact OD2-NH1 2.85Å; D587-R593 PolarHBondContact OD2-NH1 2.88Å; D587-R593 IonicContact OD2-NH2 3.98Å; D587-R593 PolarHBondContact OD2-NH2 2.66Å; I589-R593 HydrophobicContact CG2-CB 4.37Å; I589-R593 HydrophobicContact CG2-CG 4.32Å; S590-R593 PolarHBondContact O-N 2.79Å; S590-R593 VanDerWaalsContact O-N 3.12Å; S590-R593 PolarHBondContact OG-N 3.11Å; S590-R593 VanDerWaalsContact OG-N 3.12Å; R593-R595 PolarHBondContact O-N 2.91Å; R593-Q596 WeakPolarHBondContact O-CB 3.41Å; R593-Q596 PolarHBondContact O-N 3.48Å; R593-Q596 VanDerWaalsContact O-N 3.14Å; R593-L597 WeakPolarHBondContact O-CG 3.27Å; R593-L597 PolarHBondContact O-N 2.97Å
594	M	91	Very high	90.6	Very high	11 Å²	11	61 Å²	61	5%	0.054	32%	0.32	C	S	.	.	H	α-helix	trans	-56.9	-47.9	174.9	-179.5	-80.5	-73	0	0	111.9	P426 I589 S590 Q596 L597 A598 F608 W614 L617	P426-M594 HydrophobicContact CG-CE 4.15Å; I589-M594 HydrophobicContact CG2-CB 4.42Å; S590-M594 WeakPolarHBondContact O-CB 3.49Å; S590-M594 PolarHBondContact O-N 2.82Å; M594-Q596 VanDerWaalsContact C-N 3.32Å; M594-Q596 PolarHBondContact O-N 3.44Å; M594-L597 PolarHBondContact O-N 2.85Å; M594-A598 PolarHBondContact O-N 3.39Å; M594-A598 VanDerWaalsContact O-N 3.09Å; M594-F608 HydrophobicContact CB-CE1 4.43Å; M594-F608 HydrophobicContact CB-CZ 4.49Å; M594-F608 HydrophobicContact CG-CE1 3.92Å; M594-F608 HydrophobicContact CG-CZ 4.34Å; M594-W614 HydrophobicContact CG-CZ3 3.86Å; M594-W614 HydrophobicContact SD-CZ3 3.93Å; M594-L617 HydrophobicContact CE-CD1 4.34Å; M594-L617 HydrophobicContact SD-CD1 3.87Å
595	R	89.2	Confident	90.6	Very high	31 Å²	31	57 Å²	57	12%	0.117	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-36.3	175.7	-71.1	-173.1	-67.3	-88.7	2.3	112.6	G591 T592 R593 A598 K599 Y621	G591-R595 VanDerWaalsContact O-CG 3.3Å; G591-R595 WeakPolarHBondContact O-CG 3.35Å; G591-R595 PolarHBondContact O-N 3.35Å; G591-R595 PolarHBondContact O-NH1 2.96Å; T592-R595 PolarHBondContact O-N 3.14Å; T592-R595 PolarHBondContact OG1-NH2 2.99Å; T592-R595 VanDerWaalsContact OG1-NH2 3.16Å; R593-R595 PolarHBondContact O-N 2.91Å; R595-A598 PolarHBondContact O-N 2.96Å; R595-K599 WeakPolarHBondContact O-CB 3.3Å; R595-K599 VanDerWaalsContact O-CG 3.25Å; R595-K599 WeakPolarHBondContact O-CG 3.37Å; R595-K599 PolarHBondContact O-N 3.42Å; R595-Y621 HydrophobicContact CB-CE2 4.39Å; R595-Y621 WeakPolarHBondContact CD-OH 3.47Å; R595-Y621 HydrophobicContact CG-CE2 4.05Å; R595-Y621 WeakPolarHBondContact CG-OH 3.48Å
596	Q	90.9	Very high	90.5	Very high	101 Å²	101	60.8 Å²	60.8	47%	0.472	32%	0.321	S	S	.	.	H	α-helix	trans	-65.7	-43.5	176.3	-75.2	172.1	-8.6	0	0	111.8	T592 R593 M594 A598 K599 K600	T592-Q596 WeakPolarHBondContact O-CG 2.99Å; T592-Q596 PolarHBondContact O-N 3.03Å; R593-Q596 WeakPolarHBondContact O-CB 3.41Å; R593-Q596 PolarHBondContact O-N 3.48Å; R593-Q596 VanDerWaalsContact O-N 3.14Å; M594-Q596 VanDerWaalsContact C-N 3.32Å; M594-Q596 PolarHBondContact O-N 3.44Å; Q596-A598 VanDerWaalsContact C-N 3.34Å; Q596-A598 PolarHBondContact O-N 2.85Å; Q596-K599 PolarHBondContact O-N 2.86Å; Q596-K600 WeakPolarHBondContact O-CG 3.46Å; Q596-K600 PolarHBondContact O-N 3.47Å
597	L	93.7	Very high	90.4	Very high	21 Å²	21	61.4 Å²	61.4	11%	0.11	33%	0.331	C	S	.	.	H	α-helix	trans	-57.3	-49	174.3	-67.6	172.1	0	0	0	110.6	R593 M594 K599 K600 G601 E602 P604 W614	R593-L597 WeakPolarHBondContact O-CG 3.27Å; R593-L597 PolarHBondContact O-N 2.97Å; M594-L597 PolarHBondContact O-N 2.85Å; L597-K599 PolarHBondContact O-N 3.28Å; L597-K600 CarbonylContact O-C 3.51Å; L597-K600 PolarHBondContact O-N 2.87Å; L597-K600 VanDerWaalsContact O-N 3.07Å; L597-G601 PolarHBondContact O-N 2.97Å; L597-G601 VanDerWaalsContact O-N 3.12Å; L597-E602 HydrophobicContact CB-CB 4.4Å; L597-E602 HydrophobicContact CD2-CB 3.87Å; L597-E602 WeakPolarHBondContact CD2-OE2 3.42Å; L597-E602 PolarHBondContact O-N 3.41Å; L597-P604 HydrophobicContact CD1-CB 4.24Å; L597-W614 HydrophobicContact CB-CH2 3.93Å; L597-W614 HydrophobicContact CB-CZ2 4.29Å
598	A	92.1	Very high	90.5	Very high	3 Å²	3	59.9 Å²	59.9	3%	0.025	32%	0.323	C	S	.	.	H	α-helix	trans	-61.7	-42.7	179.1	0	0	0	0	0	112.4	M594 R595 Q596 K600 G601 W614 Y621	M594-A598 PolarHBondContact O-N 3.39Å; M594-A598 VanDerWaalsContact O-N 3.09Å; R595-A598 PolarHBondContact O-N 2.96Å; Q596-A598 VanDerWaalsContact C-N 3.34Å; Q596-A598 PolarHBondContact O-N 2.85Å; A598-K600 VanDerWaalsContact C-N 3.26Å; A598-K600 PolarHBondContact O-N 2.66Å; A598-G601 PolarHBondContact O-N 3.36Å; A598-G601 VanDerWaalsContact O-N 3.16Å; A598-W614 HydrophobicContact CB-CH2 3.57Å; A598-W614 HydrophobicContact CB-CZ2 3.94Å; A598-W614 HydrophobicContact CB-CZ3 4.27Å; A598-Y621 HydrophobicContact CB-CD2 3.41Å; A598-Y621 VanDerWaalsContact CB-CD2 3.41Å; A598-Y621 HydrophobicContact CB-CE2 4.17Å; A598-Y621 HydrophobicContact CB-CG 4.05Å
599	K	90.3	Very high	90.7	Very high	94 Å²	94	55.7 Å²	55.7	41%	0.409	31%	0.305	S	S	.	.	H	α-helix	trans	-62.9	-29.7	174.6	-75.4	174.3	-179	-177	0	113	R595 Q596 L597 G601 Y621 Q625	R595-K599 WeakPolarHBondContact O-CB 3.3Å; R595-K599 VanDerWaalsContact O-CG 3.25Å; R595-K599 WeakPolarHBondContact O-CG 3.37Å; R595-K599 PolarHBondContact O-N 3.42Å; Q596-K599 PolarHBondContact O-N 2.86Å; L597-K599 PolarHBondContact O-N 3.28Å; K599-G601 VanDerWaalsContact C-N 3.33Å; K599-Y621 HydrophobicContact CD-CD1 4.32Å; K599-Y621 HydrophobicContact CG-CD1 3.57Å; K599-Y621 HydrophobicContact CG-CE1 4.27Å; K599-Y621 HydrophobicContact CG-CG 3.95Å; K599-Q625 VanDerWaalsContact O-CD 3.3Å; K599-Q625 PolarHBondContact O-NE2 3.23Å; K599-Q625 PolarHBondContact O-OE1 2.73Å
600	K	91.2	Very high	90.9	Very high	143 Å²	143	54.9 Å²	54.9	62%	0.622	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.8	177.9	-67.1	-178.8	-175.2	-178.6	0	113.1	Q596 L597 A598 E602	Q596-K600 WeakPolarHBondContact O-CG 3.46Å; Q596-K600 PolarHBondContact O-N 3.47Å; L597-K600 CarbonylContact O-C 3.51Å; L597-K600 PolarHBondContact O-N 2.87Å; L597-K600 VanDerWaalsContact O-N 3.07Å; A598-K600 VanDerWaalsContact C-N 3.26Å; A598-K600 PolarHBondContact O-N 2.66Å; K600-E602 HydrophobicContact CB-CB 4.43Å; K600-E602 HydrophobicContact CB-CG 3.82Å; K600-E602 WeakPolarHBondContact CD-OE1 3.39Å; K600-E602 IonicContact NZ-OE1 3.96Å; K600-E602 PolarHBondContact O-N 2.99Å
601	G	87.7	Confident	91.5	Very high	59 Å²	59	56.4 Å²	56.4	61%	0.608	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	16.3	-170.4	0	0	0	0	0	113.4	L597 A598 K599	L597-G601 PolarHBondContact O-N 2.97Å; L597-G601 VanDerWaalsContact O-N 3.12Å; A598-G601 PolarHBondContact O-N 3.36Å; A598-G601 VanDerWaalsContact O-N 3.16Å; K599-G601 VanDerWaalsContact C-N 3.33Å
602	E	93.5	Very high	92.2	Very high	89 Å²	89	57.9 Å²	57.9	42%	0.416	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-81.6	141.4	179.5	-70.1	173.6	-160.7	0	0	110.1	L597 K600 W614	L597-E602 HydrophobicContact CB-CB 4.4Å; L597-E602 HydrophobicContact CD2-CB 3.87Å; L597-E602 WeakPolarHBondContact CD2-OE2 3.42Å; L597-E602 PolarHBondContact O-N 3.41Å; K600-E602 HydrophobicContact CB-CB 4.43Å; K600-E602 HydrophobicContact CB-CG 3.82Å; K600-E602 WeakPolarHBondContact CD-OE1 3.39Å; K600-E602 IonicContact NZ-OE1 3.96Å; K600-E602 PolarHBondContact O-N 2.99Å; E602-W614 WeakPolarHBondContact O-CZ2 3.21Å
603	Q	93.6	Very high	92.8	Very high	140 Å²	140	55.1 Å²	55.1	65%	0.654	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-76.7	139.8	174.2	-65.1	-63.7	-28	0	0	110.5	W614	Q603-W614 VanDerWaalsContact OE1-NE1 3.13Å
604	P	94.2	Very high	93.1	Very high	13 Å²	13	51.1 Å²	51.1	8%	0.084	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-69.9	162.2	167	33.6	-36.2	0	0	0	109.3	L597 D606 F608 W614	L597-P604 HydrophobicContact CD1-CB 4.24Å; P604-D606 PolarHBondContact O-N 3.4Å; P604-F608 HydrophobicContact CB-CB 4.2Å; P604-F608 HydrophobicContact CB-CD1 3.61Å; P604-F608 HydrophobicContact CB-CE1 4.42Å; P604-F608 HydrophobicContact CB-CG 4.23Å; P604-F608 HydrophobicContact CG-CD1 4.15Å; P604-W614 HydrophobicContact CG-CD2 3.7Å; P604-W614 HydrophobicContact CG-CE3 3.89Å; P604-W614 HydrophobicContact CG-CG 4.06Å; P604-W614 HydrophobicContact CG-CH2 4.45Å; P604-W614 HydrophobicContact CG-CZ2 4.35Å; P604-W614 HydrophobicContact CG-CZ3 4.27Å
605	P	94.3	Very high	93.3	Very high	40 Å²	40	57.8 Å²	57.8	26%	0.26	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-53.4	139.3	173.5	-26.6	36.3	0	0	0	112.1	Y568 I589 G607 F608	Y568-P605 HydrophobicContact CD1-CB 4.16Å; Y568-P605 HydrophobicContact CE1-CB 3.5Å; Y568-P605 VanDerWaalsContact CE1-CB 3.5Å; Y568-P605 HydrophobicContact CE1-CG 4.23Å; Y568-P605 HydrophobicContact CE2-CB 3.94Å; Y568-P605 WeakPolarHBondContact OH-CB 3.47Å; I589-P605 HydrophobicContact CD1-CG 3.93Å; P605-G607 PolarHBondContact O-N 3.37Å; P605-F608 WeakPolarHBondContact O-CB 3.22Å; P605-F608 PolarHBondContact O-N 2.83Å
606	D	93.9	Very high	93.7	Very high	120 Å²	120	56.9 Å²	56.9	64%	0.642	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	132.9	177.8	-68.6	-28.7	0	0	0	110.5	Y568 K573 P604 F608	Y568-D606 WeakPolarHBondContact CE2-O 3.35Å; Y568-D606 VanDerWaalsContact CZ-O 3.3Å; Y568-D606 PolarHBondContact OH-O 3.11Å; K573-D606 CarbonylContact C-O 3.53Å; P604-D606 PolarHBondContact O-N 3.4Å; D606-F608 VanDerWaalsContact C-N 3.33Å
607	G	93.6	Very high	93.9	Very high	28 Å²	28	52.1 Å²	52.1	29%	0.289	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-3	-179.5	0	0	0	0	0	115.2	N429 P605	N429-G607 WeakPolarHBondContact CB-O 3.44Å; N429-G607 PolarHBondContact ND2-O 2.95Å; P605-G607 PolarHBondContact O-N 3.37Å
608	F	94.9	Very high	93.9	Very high	4 Å²	4	52 Å²	52	2%	0.018	28%	0.277	C	S	.	.	S	Bend	trans	-69.9	-44.4	171.9	174.3	-107.4	0	0	0	112.7	H428 N429 Y568 M575 I589 M594 P604 P605 D606	H428-F608 HydrophobicContact CB-CE1 4.06Å; H428-F608 HydrophobicContact CB-CE2 4.05Å; H428-F608 HydrophobicContact CB-CZ 3.8Å; H428-F608 WeakPolarHBondContact CB-O 3.46Å; N429-F608 VanDerWaalsContact CB-O 3.3Å; N429-F608 WeakPolarHBondContact CB-O 3.46Å; N429-F608 PolarHBondContact N-O 2.85Å; Y568-F608 HydrophobicContact CD2-CB 4.32Å; M575-F608 HydrophobicContact SD-CD2 3.79Å; M575-F608 HydrophobicContact SD-CE2 4.39Å; I589-F608 HydrophobicContact CB-CD2 4.28Å; I589-F608 HydrophobicContact CB-CE2 3.7Å; I589-F608 HydrophobicContact CB-CZ 4.08Å; I589-F608 HydrophobicContact CD1-CD2 3.64Å; I589-F608 HydrophobicContact CD1-CE2 3.98Å; I589-F608 HydrophobicContact CD1-CG 4.04Å; I589-F608 HydrophobicContact CG1-CD2 4.48Å; I589-F608 HydrophobicContact CG1-CE2 4.39Å; I589-F608 HydrophobicContact CG2-CE1 4.33Å; I589-F608 HydrophobicContact CG2-CE2 3.91Å; I589-F608 HydrophobicContact CG2-CZ 3.76Å; M594-F608 HydrophobicContact CB-CE1 4.43Å; M594-F608 HydrophobicContact CB-CZ 4.49Å; M594-F608 HydrophobicContact CG-CE1 3.92Å; M594-F608 HydrophobicContact CG-CZ 4.34Å; P604-F608 HydrophobicContact CB-CB 4.2Å; P604-F608 HydrophobicContact CB-CD1 3.61Å; P604-F608 HydrophobicContact CB-CE1 4.42Å; P604-F608 HydrophobicContact CB-CG 4.23Å; P604-F608 HydrophobicContact CG-CD1 4.15Å; P605-F608 WeakPolarHBondContact O-CB 3.22Å; P605-F608 PolarHBondContact O-N 2.83Å; D606-F608 VanDerWaalsContact C-N 3.33Å
609	M	95.3	Very high	94.1	Very high	10 Å²	10	55.8 Å²	55.8	5%	0.049	30%	0.297	C	S	.	.	S	Bend	trans	-144.4	148.2	179.8	-173.9	176.6	-66	0	0	109.8	H428 A613 W614 L617	H428-M609 HydrophobicContact CB-CE 3.87Å; M609-A613 HydrophobicContact CG-CB 4.11Å; M609-A613 HydrophobicContact SD-CB 4.32Å; M609-W614 HydrophobicContact CG-CB 4.37Å; M609-W614 HydrophobicContact SD-CB 4.14Å; M609-W614 HydrophobicContact SD-CE3 3.97Å; M609-L617 HydrophobicContact CE-CD1 3.69Å; M609-L617 HydrophobicContact SD-CD1 3.68Å
610	A	93.6	Very high	94.3	Very high	2 Å²	2	53.8 Å²	53.8	2%	0.017	29%	0.287	C	S	.	.			trans	-57.6	137.5	174.1	0	0	0	0	0	111.8	N429 L478 I483 K612 A613 W614	N429-A610 PolarHBondContact OD1-N 2.86Å; L478-A610 HydrophobicContact CD2-CB 3.64Å; I483-A610 HydrophobicContact CD1-CB 3.93Å; I483-A610 HydrophobicContact CG1-CB 3.65Å; A610-K612 PolarHBondContact O-N 2.79Å; A610-A613 HydrophobicContact CB-CB 3.98Å; A610-A613 WeakPolarHBondContact O-CB 3.44Å; A610-A613 PolarHBondContact O-N 2.79Å; A610-A613 VanDerWaalsContact O-N 3.13Å; A610-W614 PolarHBondContact O-N 2.98Å
611	P	94.1	Very high	94.4	Very high	95 Å²	95	47.4 Å²	47.4	62%	0.617	26%	0.259	S	S	*	.	H	α-helix	trans	-57.8	-42.4	-173.8	-28.5	35.9	0	0	0	114.9	W614 R615	P611-W614 PolarHBondContact O-N 2.88Å; P611-R615 WeakPolarHBondContact O-CB 3.32Å; P611-R615 PolarHBondContact O-N 2.79Å
612	K	96.1	Very high	94.6	Very high	64 Å²	64	47 Å²	47	28%	0.278	25%	0.247	S	C	.	.	H	α-helix	trans	-66.3	-42.2	177.1	-66.5	-172	-167.5	154.3	0	111.3	A477 E480 D481 A610 W614 R615 V616	A477-K612 HydrophobicContact CB-CB 3.9Å; E480-K612 IonicContact OE1-NZ 2.81Å; E480-K612 PolarHBondContact OE1-NZ 2.94Å; E480-K612 IonicContact OE2-NZ 2.55Å; D481-K612 WeakPolarHBondContact OD1-CD 3.4Å; D481-K612 WeakPolarHBondContact OD1-CE 3.42Å; D481-K612 IonicContact OD1-NZ 2.65Å; D481-K612 PolarHBondContact OD1-NZ 3.49Å; D481-K612 WeakPolarHBondContact OD2-CB 3.42Å; D481-K612 WeakPolarHBondContact OD2-CG 3.36Å; A610-K612 PolarHBondContact O-N 2.79Å; K612-W614 VanDerWaalsContact C-N 3.32Å; K612-W614 PolarHBondContact O-N 3.41Å; K612-R615 WeakPolarHBondContact O-CB 3.36Å; K612-R615 PolarHBondContact O-N 3.31Å; K612-V616 PolarHBondContact O-N 2.94Å; K612-V616 VanDerWaalsContact O-N 3.15Å
613	A	95.7	Very high	94.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-38.7	178.5	0	0	0	0	0	112.1	Q474 A477 L478 M609 A610	Q474-A613 HydrophobicContact CG-CB 4.04Å; Q474-A613 WeakPolarHBondContact CG-O 3.08Å; A477-A613 HydrophobicContact CB-CB 4.3Å; L478-A613 HydrophobicContact CD1-CB 4.48Å; L478-A613 HydrophobicContact CD2-CB 3.66Å; L478-A613 HydrophobicContact CG-CB 3.71Å; M609-A613 HydrophobicContact CG-CB 4.11Å; M609-A613 HydrophobicContact SD-CB 4.32Å; A610-A613 HydrophobicContact CB-CB 3.98Å; A610-A613 WeakPolarHBondContact O-CB 3.44Å; A610-A613 PolarHBondContact O-N 2.79Å; A610-A613 VanDerWaalsContact O-N 3.13Å
614	W	96.4	Very high	94.1	Very high	6 Å²	6	42.8 Å²	42.8	2%	0.023	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-43.3	172.8	177	-111.6	0	0	0	112	M594 L597 A598 E602 Q603 P604 M609 A610 P611 K612 V616 L617 A618	M594-W614 HydrophobicContact CG-CZ3 3.86Å; M594-W614 HydrophobicContact SD-CZ3 3.93Å; L597-W614 HydrophobicContact CB-CH2 3.93Å; L597-W614 HydrophobicContact CB-CZ2 4.29Å; A598-W614 HydrophobicContact CB-CH2 3.57Å; A598-W614 HydrophobicContact CB-CZ2 3.94Å; A598-W614 HydrophobicContact CB-CZ3 4.27Å; E602-W614 WeakPolarHBondContact O-CZ2 3.21Å; Q603-W614 VanDerWaalsContact OE1-NE1 3.13Å; P604-W614 HydrophobicContact CG-CD2 3.7Å; P604-W614 HydrophobicContact CG-CE3 3.89Å; P604-W614 HydrophobicContact CG-CG 4.06Å; P604-W614 HydrophobicContact CG-CH2 4.45Å; P604-W614 HydrophobicContact CG-CZ2 4.35Å; P604-W614 HydrophobicContact CG-CZ3 4.27Å; M609-W614 HydrophobicContact CG-CB 4.37Å; M609-W614 HydrophobicContact SD-CB 4.14Å; M609-W614 HydrophobicContact SD-CE3 3.97Å; A610-W614 PolarHBondContact O-N 2.98Å; P611-W614 PolarHBondContact O-N 2.88Å; K612-W614 VanDerWaalsContact C-N 3.32Å; K612-W614 PolarHBondContact O-N 3.41Å; W614-V616 VanDerWaalsContact C-N 3.26Å; W614-V616 PolarHBondContact O-N 3.34Å; W614-L617 HydrophobicContact CE3-CD1 4.37Å; W614-L617 PolarHBondContact O-N 3.41Å; W614-A618 PolarHBondContact O-N 3.18Å
615	R	96.2	Very high	93.5	Very high	150 Å²	150	46.8 Å²	46.8	57%	0.566	25%	0.249	S	C	*	.	H	α-helix	trans	-56.2	-40.8	178.5	-172.2	-176.5	-62.7	153	0.9	112.1	P611 K612 L617 A618 N619	P611-R615 WeakPolarHBondContact O-CB 3.32Å; P611-R615 PolarHBondContact O-N 2.79Å; K612-R615 WeakPolarHBondContact O-CB 3.36Å; K612-R615 PolarHBondContact O-N 3.31Å; R615-L617 VanDerWaalsContact C-N 3.34Å; R615-L617 PolarHBondContact O-N 2.99Å; R615-A618 PolarHBondContact O-N 3.12Å; R615-N619 VanDerWaalsContact O-CB 3.29Å; R615-N619 WeakPolarHBondContact O-CB 3.43Å; R615-N619 PolarHBondContact O-N 3.44Å; R615-N619 PolarHBondContact O-OD1 3.36Å
616	V	96.6	Very high	92.6	Very high	13 Å²	13	50.2 Å²	50.2	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-56.9	-47.4	174.9	174.2	0	0	0	0	111.2	V470 E473 Q474 A477 K612 W614 Y620	V470-V616 HydrophobicContact CG1-CG1 3.93Å; E473-V616 HydrophobicContact CB-CG1 3.93Å; E473-V616 HydrophobicContact CG-CG1 3.83Å; E473-V616 HydrophobicContact CG-CG2 3.86Å; Q474-V616 HydrophobicContact CB-CB 4.33Å; Q474-V616 HydrophobicContact CB-CG1 4.01Å; A477-V616 HydrophobicContact CB-CG2 4.33Å; K612-V616 PolarHBondContact O-N 2.94Å; K612-V616 VanDerWaalsContact O-N 3.15Å; W614-V616 VanDerWaalsContact C-N 3.26Å; W614-V616 PolarHBondContact O-N 3.34Å; V616-Y620 PolarHBondContact O-N 2.89Å; V616-Y620 VanDerWaalsContact O-N 3.08Å
617	L	94.9	Very high	91.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-68	-44.3	179.3	-62.2	179.7	0	0	0	112.4	P426 V466 V470 Q474 M594 M609 W614 R615 N619 Y620 Y621	P426-L617 HydrophobicContact CB-CD1 3.68Å; P426-L617 HydrophobicContact CB-CD2 3.93Å; P426-L617 HydrophobicContact CB-CG 4.38Å; P426-L617 HydrophobicContact CG-CD1 4Å; P426-L617 HydrophobicContact CG-CD2 3.64Å; P426-L617 HydrophobicContact CG-CG 4.49Å; V466-L617 HydrophobicContact CG1-CD2 3.96Å; V466-L617 HydrophobicContact CG2-CD2 4.37Å; V470-L617 HydrophobicContact CG1-CD2 4.08Å; Q474-L617 HydrophobicContact CG-CD2 4.37Å; Q474-L617 HydrophobicContact CG-CG 4.25Å; M594-L617 HydrophobicContact CE-CD1 4.34Å; M594-L617 HydrophobicContact SD-CD1 3.87Å; M609-L617 HydrophobicContact CE-CD1 3.69Å; M609-L617 HydrophobicContact SD-CD1 3.68Å; W614-L617 HydrophobicContact CE3-CD1 4.37Å; W614-L617 PolarHBondContact O-N 3.41Å; R615-L617 VanDerWaalsContact C-N 3.34Å; R615-L617 PolarHBondContact O-N 2.99Å; L617-N619 PolarHBondContact O-N 2.89Å; L617-Y620 PolarHBondContact O-N 2.99Å; L617-Y621 VanDerWaalsContact O-CD2 3.29Å; L617-Y621 WeakPolarHBondContact O-CD2 3.3Å; L617-Y621 PolarHBondContact O-N 3.02Å; L617-Y621 VanDerWaalsContact O-N 3.08Å
618	A	94.9	Very high	90.8	Very high	19 Å²	19	61.2 Å²	61.2	16%	0.157	29%	0.29	C	S	.	.	H	α-helix	trans	-59.4	-46.6	177.7	0	0	0	0	0	111.1	W614 R615 Y620 Y621 S622	W614-A618 PolarHBondContact O-N 3.18Å; R615-A618 PolarHBondContact O-N 3.12Å; A618-Y620 PolarHBondContact O-N 2.67Å; A618-Y621 PolarHBondContact O-N 3.1Å; A618-S622 WeakPolarHBondContact O-CB 3.34Å; A618-S622 PolarHBondContact O-N 3.08Å
619	N	95.3	Very high	89.2	Confident	83 Å²	83	65.9 Å²	65.9	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-60.7	-44.4	177.3	-72.3	-5.8	0	0	0	111.9	R615 L617 Y621 S622 N623	R615-N619 VanDerWaalsContact O-CB 3.29Å; R615-N619 WeakPolarHBondContact O-CB 3.43Å; R615-N619 PolarHBondContact O-N 3.44Å; R615-N619 PolarHBondContact O-OD1 3.36Å; L617-N619 PolarHBondContact O-N 2.89Å; N619-Y621 PolarHBondContact O-N 3.1Å; N619-S622 PolarHBondContact O-N 3.43Å; N619-N623 WeakPolarHBondContact O-CB 3.49Å; N619-N623 PolarHBondContact O-N 3.34Å; N619-N623 PolarHBondContact O-ND2 3.09Å
620	Y	95.2	Very high	87.1	Confident	52 Å²	52	72.9 Å²	72.9	20%	0.204	37%	0.371	C	S	.	.	H	α-helix	trans	-58.6	-48.2	177.1	167.9	-111.2	0	0	0	112.3	P467 V470 V616 L617 A618 N623 L624	P467-Y620 WeakPolarHBondContact CD-OH 3.45Å; P467-Y620 HydrophobicContact CG-CE1 4.49Å; P467-Y620 HydrophobicContact CG-CE2 3.91Å; P467-Y620 WeakPolarHBondContact CG-OH 3.41Å; V470-Y620 HydrophobicContact CB-CG 4.46Å; V470-Y620 HydrophobicContact CG1-CD1 4.3Å; V470-Y620 HydrophobicContact CG1-CG 3.96Å; V470-Y620 HydrophobicContact CG2-CD1 4.47Å; V470-Y620 HydrophobicContact CG2-CD2 3.51Å; V470-Y620 HydrophobicContact CG2-CE2 3.99Å; V470-Y620 HydrophobicContact CG2-CG 3.78Å; V616-Y620 PolarHBondContact O-N 2.89Å; V616-Y620 VanDerWaalsContact O-N 3.08Å; L617-Y620 PolarHBondContact O-N 2.99Å; A618-Y620 PolarHBondContact O-N 2.67Å; Y620-N623 PolarHBondContact O-N 3.32Å; Y620-L624 HydrophobicContact CD1-CD1 4.15Å; Y620-L624 HydrophobicContact CD2-CD1 4.4Å; Y620-L624 HydrophobicContact CD2-CG 4.49Å; Y620-L624 HydrophobicContact CE1-CD1 3.5Å; Y620-L624 VanDerWaalsContact CE1-CD1 3.5Å; Y620-L624 HydrophobicContact CE2-CD1 3.78Å; Y620-L624 HydrophobicContact CE2-CG 3.98Å; Y620-L624 PolarHBondContact O-N 2.88Å; Y620-L624 VanDerWaalsContact O-N 3.1Å; Y620-L624 WeakPolarHBondContact OH-CD1 3.15Å
621	Y	93	Very high	86.8	Confident	8 Å²	8	76.5 Å²	76.5	3%	0.031	39%	0.389	C	S	.	.	H	α-helix	trans	-71.6	-32.7	-179.2	-78.4	-66.1	0	0	0	113.3	V466 R595 A598 K599 L617 A618 N619 L624 Q625	V466-Y621 HydrophobicContact CG2-CE2 4.26Å; V466-Y621 WeakPolarHBondContact CG2-OH 3.39Å; R595-Y621 HydrophobicContact CB-CE2 4.39Å; R595-Y621 WeakPolarHBondContact CD-OH 3.47Å; R595-Y621 HydrophobicContact CG-CE2 4.05Å; R595-Y621 WeakPolarHBondContact CG-OH 3.48Å; A598-Y621 HydrophobicContact CB-CD2 3.41Å; A598-Y621 VanDerWaalsContact CB-CD2 3.41Å; A598-Y621 HydrophobicContact CB-CE2 4.17Å; A598-Y621 HydrophobicContact CB-CG 4.05Å; K599-Y621 HydrophobicContact CD-CD1 4.32Å; K599-Y621 HydrophobicContact CG-CD1 3.57Å; K599-Y621 HydrophobicContact CG-CE1 4.27Å; K599-Y621 HydrophobicContact CG-CG 3.95Å; L617-Y621 VanDerWaalsContact O-CD2 3.29Å; L617-Y621 WeakPolarHBondContact O-CD2 3.3Å; L617-Y621 PolarHBondContact O-N 3.02Å; L617-Y621 VanDerWaalsContact O-N 3.08Å; A618-Y621 PolarHBondContact O-N 3.1Å; N619-Y621 PolarHBondContact O-N 3.1Å; Y621-L624 HydrophobicContact CD1-CD1 3.94Å; Y621-L624 HydrophobicContact CE1-CD1 4.22Å; Y621-L624 PolarHBondContact O-N 3.25Å; Y621-Q625 PolarHBondContact O-N 2.79Å
622	S	90.7	Very high	86.4	Confident	52 Å²	52	75.5 Å²	75.5	36%	0.364	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-50.7	171.7	-167.6	0	0	0	0	111	A618 N619 L624 Q625 E626	A618-S622 WeakPolarHBondContact O-CB 3.34Å; A618-S622 PolarHBondContact O-N 3.08Å; N619-S622 PolarHBondContact O-N 3.43Å; S622-L624 VanDerWaalsContact C-N 3.25Å; S622-L624 PolarHBondContact O-N 3.3Å; S622-Q625 WeakPolarHBondContact O-CB 3.35Å; S622-Q625 PolarHBondContact O-N 3.12Å; S622-E626 PolarHBondContact O-N 3.46Å
623	N	90.3	Very high	85.8	Confident	83 Å²	83	76.1 Å²	76.1	44%	0.444	38%	0.382	S	S	.	.	H	α-helix	trans	-63.6	-30.3	-180	-67.7	-12.8	0	0	0	112.9	N619 Y620 Q625 K627	N619-N623 WeakPolarHBondContact O-CB 3.49Å; N619-N623 PolarHBondContact O-N 3.34Å; N619-N623 PolarHBondContact O-ND2 3.09Å; Y620-N623 PolarHBondContact O-N 3.32Å; N623-Q625 VanDerWaalsContact C-N 3.33Å; N623-K627 WeakPolarHBondContact O-CG 3.45Å; N623-K627 PolarHBondContact O-N 3.19Å
624	L	87.5	Confident	85.3	Confident	57 Å²	57	80.6 Å²	80.6	30%	0.298	41%	0.405	S	S	.	.	H	α-helix	trans	-66.6	-33.6	173.4	-88.6	173	0	0	0	113	Y620 Y621 S622 R628	Y620-L624 HydrophobicContact CD1-CD1 4.15Å; Y620-L624 HydrophobicContact CD2-CD1 4.4Å; Y620-L624 HydrophobicContact CD2-CG 4.49Å; Y620-L624 HydrophobicContact CE1-CD1 3.5Å; Y620-L624 VanDerWaalsContact CE1-CD1 3.5Å; Y620-L624 HydrophobicContact CE2-CD1 3.78Å; Y620-L624 HydrophobicContact CE2-CG 3.98Å; Y620-L624 PolarHBondContact O-N 2.88Å; Y620-L624 VanDerWaalsContact O-N 3.1Å; Y620-L624 WeakPolarHBondContact OH-CD1 3.15Å; Y621-L624 HydrophobicContact CD1-CD1 3.94Å; Y621-L624 HydrophobicContact CE1-CD1 4.22Å; Y621-L624 PolarHBondContact O-N 3.25Å; S622-L624 VanDerWaalsContact C-N 3.25Å; S622-L624 PolarHBondContact O-N 3.3Å; L624-R628 WeakPolarHBondContact O-CG 3.36Å; L624-R628 PolarHBondContact O-N 3.18Å
625	Q	80.5	Confident	84.6	Confident	96 Å²	96	85.3 Å²	85.3	45%	0.449	43%	0.429	S	S	.	.	H	α-helix	trans	-73.2	-42.9	177.8	-72.8	179.4	-22	0	0	111.2	K599 Y621 S622 N623 K627 R628 S629	K599-Q625 VanDerWaalsContact O-CD 3.3Å; K599-Q625 PolarHBondContact O-NE2 3.23Å; K599-Q625 PolarHBondContact O-OE1 2.73Å; Y621-Q625 PolarHBondContact O-N 2.79Å; S622-Q625 WeakPolarHBondContact O-CB 3.35Å; S622-Q625 PolarHBondContact O-N 3.12Å; N623-Q625 VanDerWaalsContact C-N 3.33Å; Q625-K627 VanDerWaalsContact C-N 3.31Å; Q625-K627 PolarHBondContact O-N 3.43Å; Q625-R628 PolarHBondContact O-N 3.2Å; Q625-S629 PolarHBondContact O-N 3.25Å; Q625-S629 PolarHBondContact O-OG 3.38Å
626	E	76.9	Confident	83.8	Confident	112 Å²	112	80.9 Å²	80.9	52%	0.523	42%	0.42	S	S	.	.	H	α-helix	trans	-58	-42.8	176.2	-69.3	177.4	-175.6	0	0	112	S622 R628 S629 C630	S622-E626 PolarHBondContact O-N 3.46Å; E626-R628 PolarHBondContact O-N 3.41Å; E626-S629 WeakPolarHBondContact CA-OG 3.34Å; E626-S629 PolarHBondContact O-N 3.41Å; E626-S629 PolarHBondContact O-OG 3.15Å; E626-C630 PolarHBondContact O-N 3.26Å; E626-C630 VanDerWaalsContact O-N 3.12Å
627	K	75.9	Confident	82.9	Confident	166 Å²	166	85.8 Å²	85.8	72%	0.722	44%	0.444	S	S	*	.	H	α-helix	trans	-67.2	-16.1	175.5	-73.6	-176.3	-178.3	-175	0	114.9	N623 Q625	N623-K627 WeakPolarHBondContact O-CG 3.45Å; N623-K627 PolarHBondContact O-N 3.19Å; Q625-K627 VanDerWaalsContact C-N 3.31Å; Q625-K627 PolarHBondContact O-N 3.43Å
628	R	72.4	Confident	82	Confident	214 Å²	214	92.4 Å²	92.4	81%	0.808	48%	0.478	S	S	*	.	H	α-helix	trans	-95.6	-22.3	175.5	-74.4	179	176.6	-164.1	-3.1	112.5	L624 Q625 E626	L624-R628 WeakPolarHBondContact O-CG 3.36Å; L624-R628 PolarHBondContact O-N 3.18Å; Q625-R628 PolarHBondContact O-N 3.2Å; E626-R628 PolarHBondContact O-N 3.41Å
629	S	62.5	Low	80.9	Confident	101 Å²	101	98.5 Å²	98.5	71%	0.706	51%	0.505	S	S	*	.	H	α-helix	trans	-85	-25.4	176.2	52	0	0	0	0	113.5	Q625 E626	Q625-S629 PolarHBondContact O-N 3.25Å; Q625-S629 PolarHBondContact O-OG 3.38Å; E626-S629 WeakPolarHBondContact CA-OG 3.34Å; E626-S629 PolarHBondContact O-N 3.41Å; E626-S629 PolarHBondContact O-OG 3.15Å
630	C	50.6	Low	79.6	Confident	158 Å²	158	99.9 Å²	99.9	100%	1.068	51%	0.511	S	S	*	.			trans	-84	0	165.9	-63.4	0	0	0	0	110	E626	E626-C630 PolarHBondContact O-N 3.26Å; E626-C630 VanDerWaalsContact O-N 3.12Å

Retrieved 630 of 630 residues in 1112.8 ms (Link to these results)

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