A0A087Y8K4_POEFO Loading...

ATP synthase subunit alpha

Produces ATP from ADP in the presence of a proton gradient across the membrane.

AlphaFold DB , UniProt , Accession A0A087Y8K4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 648 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	45.7	Very low	37.4	Very low	220 Å²	220	142.7 Å²	142.7	100%	1.084	67%	0.674	S	S	*	*				0	-53	0	-149	155.9	178	0	0	112.9	I3 R4	M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.27Å; M1-I3 VanDerWaalsContact O-N 3.07Å; M1-R4 PolarHBondContact O-N 3.26Å
2	H	35.8	Very low	37.9	Very low	158 Å²	158	138.8 Å²	138.8	73%	0.731	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.9	-36.9	-173.2	-79.6	-92.8	0	0	0	117.7	R4 L5	H2-R4 VanDerWaalsContact C-N 3.27Å; H2-R4 PolarHBondContact O-N 3.13Å; H2-L5 PolarHBondContact O-N 3.34Å; H2-L5 VanDerWaalsContact O-N 3.08Å
3	I	36	Very low	37.8	Very low	141 Å²	141	140.8 Å²	140.8	72%	0.723	66%	0.657	S	S	*	*	H	α-helix	trans	-61.3	-31.6	-176	-63	173.9	0	0	0	112.7	M1 L5 I7	M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.27Å; M1-I3 VanDerWaalsContact O-N 3.07Å; I3-L5 PolarHBondContact O-N 3.11Å; I3-I7 HydrophobicContact CG2-CD1 4.45Å
4	R	30.9	Very low	37.5	Very low	210 Å²	210	140.7 Å²	140.7	79%	0.792	65%	0.654	S	S	*	*	H	α-helix	trans	-71	-26.5	176.9	-86	-173	173.3	175.9	-1.8	113.7	M1 H2	M1-R4 PolarHBondContact O-N 3.26Å; H2-R4 VanDerWaalsContact C-N 3.27Å; H2-R4 PolarHBondContact O-N 3.13Å
5	L	36.3	Very low	37.2	Very low	111 Å²	111	136 Å²	136	58%	0.581	64%	0.642	S	S	*	*	H	α-helix	trans	-69.6	-45.5	177.9	-113.9	72.5	0	0	0	111.5	H2 I3 I7 H8 L9	H2-L5 PolarHBondContact O-N 3.34Å; H2-L5 VanDerWaalsContact O-N 3.08Å; I3-L5 PolarHBondContact O-N 3.11Å; L5-I7 VanDerWaalsContact C-N 3.32Å; L5-I7 PolarHBondContact O-N 3.03Å; L5-H8 PolarHBondContact O-N 3.33Å; L5-L9 VanDerWaalsContact O-CD1 3.28Å; L5-L9 WeakPolarHBondContact O-CD1 3.4Å; L5-L9 PolarHBondContact O-N 3.45Å
6	H	37.3	Very low	37.1	Very low	144 Å²	144	137.5 Å²	137.5	67%	0.667	64%	0.641	S	S	*	*	H	α-helix	trans	-59.6	-40.9	-178.6	-98.3	-86.5	0	0	0	112.9	H8 L9 Y10	H6-H8 VanDerWaalsContact C-N 3.34Å; H6-H8 PolarHBondContact O-N 2.99Å; H6-L9 PolarHBondContact O-N 3.48Å; H6-Y10 WeakPolarHBondContact O-CB 2.96Å; H6-Y10 PolarHBondContact O-N 3.43Å
7	I	42.1	Very low	37.2	Very low	107 Å²	107	136 Å²	136	55%	0.549	64%	0.637	S	S	.	*	H	α-helix	trans	-64.8	-38.7	179.2	-62	172.1	0	0	0	111	I3 L5 T11	I3-I7 HydrophobicContact CG2-CD1 4.45Å; L5-I7 VanDerWaalsContact C-N 3.32Å; L5-I7 PolarHBondContact O-N 3.03Å; I7-T11 WeakPolarHBondContact O-CB 3.31Å; I7-T11 PolarHBondContact O-N 3.12Å; I7-T11 VanDerWaalsContact O-N 3.17Å; I7-T11 PolarHBondContact O-OG1 3.02Å
8	H	35.8	Very low	36.9	Very low	132 Å²	132	132.1 Å²	132.1	61%	0.611	63%	0.626	S	S	*	*	H	α-helix	trans	-67.4	-47.6	175.5	-92.7	-76.7	0	0	0	112.7	L5 H6 Y10 T11 I12	L5-H8 PolarHBondContact O-N 3.33Å; H6-H8 VanDerWaalsContact C-N 3.34Å; H6-H8 PolarHBondContact O-N 2.99Å; H8-Y10 VanDerWaalsContact C-N 3.33Å; H8-Y10 PolarHBondContact O-N 3.15Å; H8-T11 PolarHBondContact O-N 3.41Å; H8-I12 WeakPolarHBondContact O-CG1 3.41Å; H8-I12 PolarHBondContact O-N 3.43Å
9	L	38.4	Very low	37	Very low	104 Å²	104	130.4 Å²	130.4	55%	0.545	62%	0.62	S	S	.	*	H	α-helix	trans	-59.9	-42.4	177.7	-88.3	89	0	0	0	112.1	L5 H6 T11 I12 Y13	L5-L9 VanDerWaalsContact O-CD1 3.28Å; L5-L9 WeakPolarHBondContact O-CD1 3.4Å; L5-L9 PolarHBondContact O-N 3.45Å; H6-L9 PolarHBondContact O-N 3.48Å; L9-T11 VanDerWaalsContact C-N 3.29Å; L9-T11 PolarHBondContact O-N 3.05Å; L9-I12 PolarHBondContact O-N 3.24Å; L9-Y13 PolarHBondContact O-N 3.18Å
10	Y	37.9	Very low	36.8	Very low	163 Å²	163	131 Å²	131	64%	0.639	62%	0.62	S	S	*	*	H	α-helix	trans	-66.4	-32.1	-179.8	-140.9	-89.4	0	0	0	112.7	H6 H8 K14	H6-Y10 WeakPolarHBondContact O-CB 2.96Å; H6-Y10 PolarHBondContact O-N 3.43Å; H8-Y10 VanDerWaalsContact C-N 3.33Å; H8-Y10 PolarHBondContact O-N 3.15Å; Y10-K14 PolarHBondContact O-N 3.49Å
11	T	35.3	Very low	36.7	Very low	80 Å²	80	126.5 Å²	126.5	49%	0.491	60%	0.603	S	S	.	*	H	α-helix	trans	-70.8	-42.4	175.3	-55.7	0	0	0	0	111.3	I7 H8 L9 Y13 K14 C15	I7-T11 WeakPolarHBondContact O-CB 3.31Å; I7-T11 PolarHBondContact O-N 3.12Å; I7-T11 VanDerWaalsContact O-N 3.17Å; I7-T11 PolarHBondContact O-OG1 3.02Å; H8-T11 PolarHBondContact O-N 3.41Å; L9-T11 VanDerWaalsContact C-N 3.29Å; L9-T11 PolarHBondContact O-N 3.05Å; T11-Y13 PolarHBondContact O-N 3.4Å; T11-K14 PolarHBondContact O-N 3.47Å; T11-C15 PolarHBondContact O-N 3.1Å; T11-C15 VanDerWaalsContact O-N 3.13Å; T11-C15 PolarHBondContact O-SG 2.89Å
12	I	43.1	Very low	36.2	Very low	95 Å²	95	123 Å²	123	49%	0.487	58%	0.582	S	S	.	*	H	α-helix	trans	-61.7	-43.8	175.4	-66.7	163.9	0	0	0	110.8	H8 L9 K14 C15 Y16	H8-I12 WeakPolarHBondContact O-CG1 3.41Å; H8-I12 PolarHBondContact O-N 3.43Å; L9-I12 PolarHBondContact O-N 3.24Å; I12-K14 PolarHBondContact O-N 3.01Å; I12-C15 WeakPolarHBondContact O-CB 3.49Å; I12-C15 PolarHBondContact O-N 2.89Å; I12-Y16 HydrophobicContact CG2-CD2 4.28Å; I12-Y16 PolarHBondContact O-N 3.31Å
13	Y	36.5	Very low	36.1	Very low	165 Å²	165	119.6 Å²	119.6	65%	0.647	57%	0.569	S	S	*	*	H	α-helix	trans	-60.7	-43.6	177.6	-113.7	-91.7	0	0	0	112.9	L9 T11 C15 Y16 I17	L9-Y13 PolarHBondContact O-N 3.18Å; T11-Y13 PolarHBondContact O-N 3.4Å; Y13-C15 VanDerWaalsContact C-N 3.33Å; Y13-C15 PolarHBondContact O-N 3.39Å; Y13-Y16 PolarHBondContact O-N 2.91Å; Y13-I17 WeakPolarHBondContact O-CG1 3.41Å; Y13-I17 PolarHBondContact O-N 2.77Å
14	K	34	Very low	36.2	Very low	140 Å²	140	118.4 Å²	118.4	61%	0.609	56%	0.561	S	S	*	*	H	α-helix	trans	-64	-35.5	175.6	-81.2	-173.9	173.1	179.6	0	112.8	Y10 T11 I12 C18	Y10-K14 PolarHBondContact O-N 3.49Å; T11-K14 PolarHBondContact O-N 3.47Å; I12-K14 PolarHBondContact O-N 3.01Å; K14-C18 WeakPolarHBondContact O-CB 3.47Å; K14-C18 PolarHBondContact O-N 3.37Å
15	C	32.4	Very low	36.4	Very low	70 Å²	70	116.1 Å²	116.1	47%	0.473	55%	0.552	S	S	.	*	H	α-helix	trans	-63.9	-46.1	173.6	-72.3	0	0	0	0	112	T11 I12 Y13 I17 C18 I19	T11-C15 PolarHBondContact O-N 3.1Å; T11-C15 VanDerWaalsContact O-N 3.13Å; T11-C15 PolarHBondContact O-SG 2.89Å; I12-C15 WeakPolarHBondContact O-CB 3.49Å; I12-C15 PolarHBondContact O-N 2.89Å; Y13-C15 VanDerWaalsContact C-N 3.33Å; Y13-C15 PolarHBondContact O-N 3.39Å; C15-I17 PolarHBondContact O-N 3.19Å; C15-C18 PolarHBondContact O-N 2.92Å; C15-I19 WeakPolarHBondContact O-CG1 3.44Å; C15-I19 PolarHBondContact O-N 3.01Å
16	Y	36	Very low	36.2	Very low	160 Å²	160	118.1 Å²	118.1	63%	0.627	56%	0.556	S	S	*	*	H	α-helix	trans	-58.9	-47.3	179.1	-104.7	-90.4	0	0	0	112.9	I12 Y13 C18 I19 F20	I12-Y16 HydrophobicContact CG2-CD2 4.28Å; I12-Y16 PolarHBondContact O-N 3.31Å; Y13-Y16 PolarHBondContact O-N 2.91Å; Y16-C18 VanDerWaalsContact C-N 3.31Å; Y16-C18 PolarHBondContact O-N 2.83Å; Y16-I19 PolarHBondContact O-N 2.96Å; Y16-F20 PolarHBondContact O-N 2.86Å
17	I	38.4	Very low	36.4	Very low	112 Å²	112	116 Å²	116	57%	0.574	55%	0.549	S	S	*	.	H	α-helix	trans	-62.4	-39.1	178.2	-65	167.9	0	0	0	111.2	Y13 C15 F20 S21	Y13-I17 WeakPolarHBondContact O-CG1 3.41Å; Y13-I17 PolarHBondContact O-N 2.77Å; C15-I17 PolarHBondContact O-N 3.19Å; I17-F20 PolarHBondContact O-N 3.47Å; I17-S21 PolarHBondContact O-N 2.89Å; I17-S21 VanDerWaalsContact O-N 3.11Å
18	C	31.7	Very low	36.1	Very low	65 Å²	65	117.3 Å²	117.3	44%	0.439	55%	0.552	S	S	.	*	H	α-helix	trans	-69.6	-31.6	178.3	-165.8	0	0	0	0	112.9	K14 C15 Y16 K22	K14-C18 WeakPolarHBondContact O-CB 3.47Å; K14-C18 PolarHBondContact O-N 3.37Å; C15-C18 PolarHBondContact O-N 2.92Å; Y16-C18 VanDerWaalsContact C-N 3.31Å; Y16-C18 PolarHBondContact O-N 2.83Å; C18-K22 WeakPolarHBondContact O-CB 3.36Å; C18-K22 WeakPolarHBondContact O-CG 3.48Å; C18-K22 PolarHBondContact O-N 3.32Å
19	I	39	Very low	36	Very low	100 Å²	100	120.7 Å²	120.7	51%	0.513	56%	0.56	S	S	.	*	H	α-helix	trans	-69.9	-45.3	173.1	-68.9	164.8	0	0	0	110.4	C15 Y16 K22 N23	C15-I19 WeakPolarHBondContact O-CG1 3.44Å; C15-I19 PolarHBondContact O-N 3.01Å; Y16-I19 PolarHBondContact O-N 2.96Å; I19-K22 PolarHBondContact O-N 3.42Å; I19-N23 PolarHBondContact O-N 3.36Å; I19-N23 VanDerWaalsContact O-N 3.13Å
20	F	32.9	Very low	35.7	Very low	142 Å²	142	123.4 Å²	123.4	62%	0.623	57%	0.567	S	S	*	*	H	α-helix	trans	-59.9	-51.8	179.1	-119.8	-95.3	0	0	0	112.2	Y16 I17 K22 N23 E24	Y16-F20 PolarHBondContact O-N 2.86Å; I17-F20 PolarHBondContact O-N 3.47Å; F20-K22 PolarHBondContact O-N 3.07Å; F20-N23 PolarHBondContact O-N 3.48Å; F20-E24 PolarHBondContact O-N 3.01Å; F20-E24 VanDerWaalsContact O-N 3.11Å
21	S	34.9	Very low	35.6	Very low	38 Å²	38	123.2 Å²	123.2	27%	0.266	57%	0.57	S	S	.	*	H	α-helix	trans	-65.6	-21.2	179.9	-167.8	0	0	0	0	113.7	I17 R25	I17-S21 PolarHBondContact O-N 2.89Å; I17-S21 VanDerWaalsContact O-N 3.11Å; S21-R25 WeakPolarHBondContact O-CG 3.35Å; S21-R25 PolarHBondContact O-NE 2.72Å; S21-R25 PolarHBondContact OG-NH2 3.3Å
22	K	34.8	Very low	35.6	Very low	147 Å²	147	128.6 Å²	128.6	64%	0.639	59%	0.586	S	S	*	*	H	α-helix	trans	-77.4	-31.3	171.1	-80.8	177.4	176.9	176.9	0	112.8	C18 I19 F20 K26	C18-K22 WeakPolarHBondContact O-CB 3.36Å; C18-K22 WeakPolarHBondContact O-CG 3.48Å; C18-K22 PolarHBondContact O-N 3.32Å; I19-K22 PolarHBondContact O-N 3.42Å; F20-K22 PolarHBondContact O-N 3.07Å; K22-K26 PolarHBondContact O-N 2.96Å
23	N	34.8	Very low	35.1	Very low	85 Å²	85	129.7 Å²	129.7	46%	0.455	60%	0.597	S	S	.	*	H	α-helix	trans	-74.8	-41.3	176.1	-85.9	-12.5	0	0	0	112.4	I19 F20 R25 K26 I27	I19-N23 PolarHBondContact O-N 3.36Å; I19-N23 VanDerWaalsContact O-N 3.13Å; F20-N23 PolarHBondContact O-N 3.48Å; N23-R25 PolarHBondContact O-N 3.23Å; N23-K26 WeakPolarHBondContact O-CA 3.37Å; N23-K26 WeakPolarHBondContact O-CB 3.32Å; N23-K26 PolarHBondContact O-N 3.1Å; N23-I27 WeakPolarHBondContact O-CG1 3.29Å; N23-I27 PolarHBondContact O-N 3.11Å
24	E	36.9	Very low	34.8	Very low	117 Å²	117	128 Å²	128	55%	0.547	60%	0.598	S	S	.	*	H	α-helix	trans	-55.9	-48.2	176.5	-68.1	177.9	129.2	0	0	111.9	F20 K26 I27 E28	F20-E24 PolarHBondContact O-N 3.01Å; F20-E24 VanDerWaalsContact O-N 3.11Å; E24-K26 PolarHBondContact O-N 3.38Å; E24-I27 PolarHBondContact O-N 3.13Å; E24-I27 VanDerWaalsContact O-N 3.1Å; E24-E28 WeakPolarHBondContact O-CB 3.38Å; E24-E28 PolarHBondContact O-N 2.63Å
25	R	34.9	Very low	34.5	Very low	162 Å²	162	128.8 Å²	128.8	61%	0.611	61%	0.609	S	S	*	*	H	α-helix	trans	-66.6	-21	177.5	-61.1	-178.7	-142.8	-149.7	1.2	113.8	S21 N23 R29	S21-R25 WeakPolarHBondContact O-CG 3.35Å; S21-R25 PolarHBondContact O-NE 2.72Å; S21-R25 PolarHBondContact OG-NH2 3.3Å; N23-R25 PolarHBondContact O-N 3.23Å; R25-R29 WeakPolarHBondContact O-CG 3.45Å; R25-R29 PolarHBondContact O-N 2.92Å
26	K	33.2	Very low	34.5	Very low	152 Å²	152	129.6 Å²	129.6	66%	0.661	62%	0.621	S	S	*	*	H	α-helix	trans	-76.9	-41.2	170.6	-104.4	-177.3	174.3	-177.4	0	111.5	K22 N23 E24 K30	K22-K26 PolarHBondContact O-N 2.96Å; N23-K26 WeakPolarHBondContact O-CA 3.37Å; N23-K26 WeakPolarHBondContact O-CB 3.32Å; N23-K26 PolarHBondContact O-N 3.1Å; E24-K26 PolarHBondContact O-N 3.38Å; K26-K30 PolarHBondContact O-N 3.23Å; K26-K30 VanDerWaalsContact O-N 3.12Å
27	I	40.9	Very low	34	Very low	101 Å²	101	128 Å²	128	52%	0.518	63%	0.627	S	S	.	*	H	α-helix	trans	-66.7	-45.2	177.7	-67	163.2	0	0	0	110.5	N23 E24 R29 K30 K31	N23-I27 WeakPolarHBondContact O-CG1 3.29Å; N23-I27 PolarHBondContact O-N 3.11Å; E24-I27 PolarHBondContact O-N 3.13Å; E24-I27 VanDerWaalsContact O-N 3.1Å; I27-R29 VanDerWaalsContact C-N 3.34Å; I27-R29 PolarHBondContact O-N 3.26Å; I27-K30 PolarHBondContact O-N 3.36Å; I27-K30 VanDerWaalsContact O-N 3.15Å; I27-K31 PolarHBondContact O-N 3.36Å
28	E	35.9	Very low	33.3	Very low	134 Å²	134	129.4 Å²	129.4	63%	0.626	64%	0.641	S	S	*	*	H	α-helix	trans	-64.5	-36.7	179.5	-167.5	175.2	-136.1	0	0	112.4	E24 K31	E24-E28 WeakPolarHBondContact O-CB 3.38Å; E24-E28 PolarHBondContact O-N 2.63Å; E28-K31 PolarHBondContact O-N 2.85Å
29	R	33.6	Very low	32.9	Very low	203 Å²	203	136.1 Å²	136.1	77%	0.766	66%	0.658	S	S	*	*	H	α-helix	trans	-68.3	-35.4	171.7	-78.6	-176.6	172.5	-164.7	-3.1	113.3	R25 I27 T33	R25-R29 WeakPolarHBondContact O-CG 3.45Å; R25-R29 PolarHBondContact O-N 2.92Å; I27-R29 VanDerWaalsContact C-N 3.34Å; I27-R29 PolarHBondContact O-N 3.26Å; R29-T33 PolarHBondContact O-OG1 3.19Å
30	K	33	Very low	32.1	Very low	161 Å²	161	140 Å²	140	70%	0.7	67%	0.672	S	S	*	*	H	α-helix	trans	-66.7	-36.3	173.6	-84.3	-166.7	169.2	-168.3	0	112.7	K26 I27 K32 T33	K26-K30 PolarHBondContact O-N 3.23Å; K26-K30 VanDerWaalsContact O-N 3.12Å; I27-K30 PolarHBondContact O-N 3.36Å; I27-K30 VanDerWaalsContact O-N 3.15Å; K30-K32 PolarHBondContact O-N 3.35Å; K30-T33 PolarHBondContact O-N 2.92Å
31	K	34.7	Very low	31.6	Very low	159 Å²	159	140.9 Å²	140.9	69%	0.691	68%	0.678	S	S	*	*	H	α-helix	trans	-63.2	-24.3	178.8	-79.1	-174.3	173.2	-176.6	0	114.3	I27 E28	I27-K31 PolarHBondContact O-N 3.36Å; E28-K31 PolarHBondContact O-N 2.85Å
32	K	35	Very low	31.1	Very low	193 Å²	193	145.2 Å²	145.2	84%	0.839	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	1.2	178.6	-77.5	-168.5	173.3	-176.5	0	115.3	K30	K30-K32 PolarHBondContact O-N 3.35Å
33	T	33.3	Very low	30.6	Very low	117 Å²	117	146.3 Å²	146.3	72%	0.718	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	12	-174.9	-28.6	0	0	0	0	113.8	R29 K30	R29-T33 PolarHBondContact O-OG1 3.19Å; K30-T33 PolarHBondContact O-N 2.92Å
34	I	30	Very low	30.3	Very low	130 Å²	130	147.9 Å²	147.9	67%	0.667	73%	0.729	S	S	*	*	S	Bend	trans	-113.2	-23.3	-174.8	-67	175.5	0	0	0	112.7	A36	I34-A36 PolarHBondContact O-N 3.33Å; I34-A36 VanDerWaalsContact O-N 3.13Å
35	N	29	Very low	29.7	Very low	157 Å²	157	145.6 Å²	145.6	84%	0.84	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	69.8	176.9	-70.2	15.3	0	0	0	111.5
36	A	31.6	Very low	29.1	Very low	87 Å²	87	143.8 Å²	143.8	72%	0.719	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.1	5	-179.6	0	0	0	0	0	117.2	I34	I34-A36 PolarHBondContact O-N 3.33Å; I34-A36 VanDerWaalsContact O-N 3.13Å
37	V	25.6	Very low	28.6	Very low	125 Å²	125	142.2 Å²	142.2	76%	0.758	76%	0.755	S	S	*	*			trans	-144.8	95.2	178.3	-171.6	0	0	0	0	112.9
38	V	23.8	Very low	27.8	Very low	142 Å²	142	144 Å²	144	86%	0.861	77%	0.765	S	S	*	*			trans	-150.8	140.1	141.8	-175	0	0	0	0	106.8
39	Y	23.7	Very low	27.3	Very low	206 Å²	206	143.4 Å²	143.4	81%	0.808	77%	0.766	S	S	*	*			trans	-82.5	161.6	177.6	-85.1	-111.6	0	0	0	112.4
40	F	22.1	Very low	27	Very low	183 Å²	183	141.3 Å²	141.3	80%	0.803	76%	0.764	S	S	*	*				-163.9	170.6	121.1	-115.3	-81.9	0	0	0	112.5
41	E	22.8	Very low	26.7	Very low	160 Å²	160	139.3 Å²	139.3	75%	0.748	77%	0.766	S	S	*	*			trans	-55.9	149.1	-151.7	-73.8	155.5	148.8	0	0	123.4
42	V	23.6	Very low	26.2	Very low	129 Å²	129	139 Å²	139	78%	0.782	77%	0.767	S	S	*	*			trans	-12.7	131.3	144	-177.9	0	0	0	0	118.6
43	L	23.4	Very low	25.7	Very low	169 Å²	169	139.1 Å²	139.1	89%	0.885	76%	0.762	S	S	*	*			trans	-166.3	140.9	132.6	-105.6	174	0	0	0	110.7
44	P	29.5	Very low	25.4	Very low	119 Å²	119	144.1 Å²	144.1	77%	0.773	77%	0.768	S	S	*	*			trans	-113.4	150.7	-178.9	38.7	-30.2	0	0	0	115.1
45	G	23.4	Very low	25.8	Very low	69 Å²	69	143.6 Å²	143.6	71%	0.711	77%	0.773	S	S	*	*			trans	156.6	142	158.8	0	0	0	0	0	117.1
46	C	23.3	Very low	25.7	Very low	123 Å²	123	144 Å²	144	83%	0.831	77%	0.773	S	S	*	*			trans	64.8	122.5	163.1	-65.7	0	0	0	0	117.6
47	C	22.6	Very low	25.4	Very low	119 Å²	119	151.4 Å²	151.4	80%	0.804	78%	0.783	S	S	*	*				73.2	133.2	72.3	-67.8	0	0	0	0	113.2
48	D	23.9	Very low	25.7	Very low	139 Å²	139	154.4 Å²	154.4	74%	0.743	79%	0.788	S	S	*	*			cis	-166.3	-174.7	-9.3	-160	-5.8	0	0	0	109.8
49	L	25.8	Very low	26.5	Very low	122 Å²	122	153.1 Å²	153.1	64%	0.639	78%	0.783	S	S	*	*			trans	70.7	111.5	152.7	-75.3	156	0	0	0	120.7
50	H	26	Very low	26.6	Very low	159 Å²	159	147.9 Å²	147.9	74%	0.736	78%	0.776	S	S	*	*			trans	67	139.9	136	-73.3	9.8	0	0	0	119
51	T	26.7	Very low	26.9	Very low	118 Å²	118	147 Å²	147	72%	0.724	78%	0.779	S	S	*	*			cis	-163.7	179.8	2.3	15.4	0	0	0	0	109
52	Q	26.1	Very low	27	Very low	154 Å²	154	144.9 Å²	144.9	72%	0.72	78%	0.782	S	S	*	*			cis	-140.8	-95.7	7	-145	-147.1	105.6	0	0	114.8
53	R	24.2	Very low	27.1	Very low	194 Å²	194	143.2 Å²	143.2	73%	0.732	78%	0.781	S	S	*	*			trans	-166.6	159.9	-156.5	-67.7	179.3	-178.4	176.5	-1.1	108.5
54	R	25.4	Very low	27.9	Very low	222 Å²	222	141.5 Å²	141.5	84%	0.838	78%	0.781	S	S	*	*			cis	-163.5	163.3	-11.1	-111.7	179.4	-177.6	-172.9	1	109.1
55	P	39.2	Very low	27.8	Very low	119 Å²	119	139.4 Å²	139.4	77%	0.773	78%	0.781	S	S	*	*			trans	-112.2	157.6	179.9	39.9	-32.4	0	0	0	116
56	I	26.5	Very low	28	Very low	166 Å²	166	141.4 Å²	141.4	85%	0.851	79%	0.79	S	S	*	*			trans	-148.7	112.1	168.4	-51.8	180	0	0	0	106.6
57	R	25.6	Very low	28.1	Very low	243 Å²	243	139 Å²	139	92%	0.917	79%	0.786	S	S	*	*				72.4	122.2	73	-79.6	-164.6	175.7	-160.9	0.2	116.7
58	H	31.2	Very low	28.2	Very low	187 Å²	187	144.5 Å²	144.5	87%	0.866	79%	0.79	S	S	*	*			trans	-78.8	160.8	170.6	-71	-78.5	0	0	0	113.2
59	P	41.8	Very low	28.3	Very low	116 Å²	116	144.3 Å²	144.3	75%	0.753	79%	0.787	S	S	*	*				-139.1	-161	104.4	37.8	-23.9	0	0	0	112.2
60	S	25.8	Very low	28.2	Very low	96 Å²	96	147.3 Å²	147.3	67%	0.671	80%	0.796	S	S	*	*				-166.7	166.2	-65.7	67	0	0	0	0	110.7
61	L	27.8	Very low	28.1	Very low	164 Å²	164	148.4 Å²	148.4	86%	0.859	79%	0.793	S	S	*	*			trans	68.7	155.3	170.9	-64.8	153.8	0	0	0	115.4
62	S	24.6	Very low	28	Very low	115 Å²	115	147.9 Å²	147.9	80%	0.804	80%	0.795	S	S	*	*			cis	-158	165.1	-7.3	40	0	0	0	0	110.8
63	A	27.3	Very low	28	Very low	94 Å²	94	147 Å²	147	78%	0.777	79%	0.791	S	S	*	*			trans	-119.9	160.1	-178.5	0	0	0	0	0	114
64	P	39	Very low	28	Very low	134 Å²	134	144 Å²	144	87%	0.87	79%	0.793	S	S	*	*				-132.6	174.5	111.3	37.7	-27.8	0	0	0	111.4
65	G	27.4	Very low	27.8	Very low	75 Å²	75	138.1 Å²	138.1	77%	0.773	79%	0.786	S	S	*	*			cis	129.3	143.8	13	0	0	0	0	0	109.5
66	A	27.5	Very low	27	Very low	111 Å²	111	138.6 Å²	138.6	92%	0.917	79%	0.79	S	S	*	*			cis	-167.2	167.1	-4.3	0	0	0	0	0	113
67	G	24.6	Very low	26.9	Very low	72 Å²	72	137.8 Å²	137.8	74%	0.742	78%	0.783	S	S	*	*			trans	104.5	144.3	161.8	0	0	0	0	0	116.5
68	R	24.8	Very low	26.7	Very low	235 Å²	235	135.3 Å²	135.3	89%	0.887	78%	0.779	S	S	*	*			cis	-142.6	142.3	-7.7	-59	178.9	177.4	178.5	-1.5	106.7
69	I	26.5	Very low	26.4	Very low	134 Å²	134	131 Å²	131	69%	0.687	78%	0.776	S	S	*	*				59.4	120.2	58.1	-45.8	173.7	0	0	0	110.5
70	F	23.9	Very low	25.5	Very low	185 Å²	185	130.8 Å²	130.8	81%	0.811	78%	0.778	S	S	*	*			cis	-135.5	175.4	47.3	-89.7	-112.4	0	0	0	113.7
71	R	25	Very low	25.4	Very low	183 Å²	183	135.9 Å²	135.9	69%	0.691	79%	0.79	S	S	*	*			cis	132.9	115.5	-23.8	-166.3	-163.3	-145.5	-154.9	10.3	114.7
72	S	22.9	Very low	25.2	Very low	107 Å²	107	139.6 Å²	139.6	75%	0.748	79%	0.793	S	S	*	*			trans	-157.3	139.3	147	52.2	0	0	0	0	107.1
73	Q	26.5	Very low	25.2	Very low	136 Å²	136	142.6 Å²	142.6	64%	0.636	80%	0.799	S	S	*	*			cis	75.1	127.4	40.6	-63.1	-176.1	-83.9	0	0	112.6
74	T	24.2	Very low	25.1	Very low	129 Å²	129	145.8 Å²	145.8	79%	0.791	80%	0.803	S	S	*	*			cis	-150.7	158.1	8.7	-15.5	0	0	0	0	115.3
75	C	21.5	Very low	24.9	Very low	100 Å²	100	145 Å²	145	68%	0.676	80%	0.798	S	S	*	*			trans	-50.1	154.6	169.5	-174.6	0	0	0	0	116.6
76	C	22.3	Very low	24.8	Very low	129 Å²	129	146.3 Å²	146.3	87%	0.872	80%	0.8	S	S	*	*			trans	-153.6	160.8	142.7	-113.3	0	0	0	0	111.3
77	Q	24.7	Very low	24.6	Very low	148 Å²	148	146.5 Å²	146.5	69%	0.692	79%	0.791	S	S	*	*			trans	-117.2	160.9	-152	-60.4	162.5	-87.9	0	0	116.1
78	F	22.5	Very low	24.6	Very low	191 Å²	191	153.8 Å²	153.8	84%	0.838	80%	0.797	S	S	*	*			trans	59.4	164.8	156.8	-71.5	-62.8	0	0	0	117.4
79	A	24.2	Very low	24.6	Very low	98 Å²	98	151 Å²	151	81%	0.81	79%	0.794	S	S	*	*			cis	-131	178.9	4.4	0	0	0	0	0	112.5
80	S	22.6	Very low	24.4	Very low	111 Å²	111	153.8 Å²	153.8	78%	0.776	80%	0.804	S	S	*	*			trans	-117.2	142.9	-177.7	56	0	0	0	0	113.1
81	Q	24.1	Very low	24.4	Very low	202 Å²	202	153.9 Å²	153.9	94%	0.944	81%	0.807	S	S	*	*			trans	-140.7	149.5	157.1	-96.2	177.3	-5.7	0	0	109.8
82	R	23.7	Very low	24.4	Very low	243 Å²	243	152.9 Å²	152.9	92%	0.917	81%	0.814	S	S	*	*			trans	-97.3	155.4	179.8	-68.9	175.3	171.1	173.2	-3.8	110.4
83	L	23.7	Very low	24.4	Very low	177 Å²	177	154.8 Å²	154.8	93%	0.927	82%	0.816	S	S	*	*			trans	-159.6	166.8	133.3	-107	160.9	0	0	0	110.3
84	L	24.6	Very low	24.3	Very low	162 Å²	162	157.1 Å²	157.1	85%	0.848	83%	0.825	S	S	*	*			trans	-109.7	167.2	-171.7	-85.9	170.1	0	0	0	111.5
85	P	36.3	Very low	24.2	Very low	118 Å²	118	158.9 Å²	158.9	77%	0.766	83%	0.828	S	S	*	*			trans	-91.7	167.8	-159.9	37.1	-37.6	0	0	0	114.7
86	A	24.8	Very low	24.4	Very low	101 Å²	101	158.9 Å²	158.9	84%	0.835	83%	0.829	S	S	*	*			trans	-124.5	155.1	165.2	0	0	0	0	0	110.9
87	T	23.6	Very low	24.4	Very low	116 Å²	116	159 Å²	159	71%	0.712	83%	0.83	S	S	*	*			trans	-133.2	132.3	-177.4	48.8	0	0	0	0	110.6
88	Y	23.7	Very low	24.4	Very low	225 Å²	225	159.5 Å²	159.5	88%	0.882	84%	0.838	S	S	*	*			trans	-154.1	138	147.6	-76.3	-68.9	0	0	0	105.4
89	H	24.8	Very low	24.6	Very low	176 Å²	176	159.1 Å²	159.1	82%	0.815	84%	0.838	S	S	*	*				62.5	112.3	60.8	-87.3	-87.9	0	0	0	113.2
90	E	23.8	Very low	24.6	Very low	193 Å²	193	159.2 Å²	159.2	90%	0.902	84%	0.84	S	S	*	*			trans	-115.1	128.4	164.6	-69.3	176.8	134	0	0	107.3
91	E	23.6	Very low	24.6	Very low	187 Å²	187	162.4 Å²	162.4	87%	0.874	84%	0.842	S	S	*	*			trans	-115.3	160.5	158.2	-74.7	-174.4	126.9	0	0	107.7
92	L	25	Very low	24.7	Very low	161 Å²	161	164 Å²	164	84%	0.843	84%	0.841	S	S	*	*			trans	-79.9	145.7	175.3	-55.9	93.3	0	0	0	109.4
93	D	22.4	Very low	24.7	Very low	147 Å²	147	159.3 Å²	159.3	79%	0.786	83%	0.834	S	S	*	*				-165.3	174.9	110.3	-120.3	-34.1	0	0	0	114.8
94	F	23.7	Very low	24.8	Very low	185 Å²	185	156.1 Å²	156.1	81%	0.811	83%	0.826	S	S	*	*			trans	-66.7	144.8	178.4	-74.4	-117.7	0	0	0	113.8
95	L	23.8	Very low	24.8	Very low	166 Å²	166	152.2 Å²	152.2	87%	0.869	83%	0.825	S	S	*	*				-177.2	170.5	111.7	-100.3	161.2	0	0	0	113.9
96	S	25.2	Very low	24.3	Very low	100 Å²	100	151.7 Å²	151.7	70%	0.699	82%	0.824	S	S	*	*			trans	-87.6	148.7	-177.6	50.7	0	0	0	0	113.9
97	C	22.6	Very low	24.2	Very low	132 Å²	132	156.7 Å²	156.7	89%	0.892	83%	0.828	S	S	*	*			trans	-136	146.9	161.2	-74.1	0	0	0	0	111.2
98	D	24.3	Very low	24.3	Very low	158 Å²	158	156.4 Å²	156.4	85%	0.845	83%	0.83	S	S	*	*			trans	-93.5	-175.5	-179.1	-80.9	-60	0	0	0	113.6
99	E	25.4	Very low	24.3	Very low	183 Å²	183	149.2 Å²	149.2	86%	0.855	83%	0.825	S	S	*	*			trans	-26.2	145	179.8	-55.2	-175.7	129.1	0	0	119.7
100	A	24.2	Very low	24.3	Very low	101 Å²	101	148.7 Å²	148.7	84%	0.835	83%	0.826	S	S	*	*			trans	-138.3	129.5	153.4	0	0	0	0	0	110.3
101	H	23.8	Very low	25.1	Very low	177 Å²	177	145.1 Å²	145.1	82%	0.819	82%	0.82	S	S	*	*			trans	-69.1	155.8	174.9	-74.8	-85.7	0	0	0	112.3
102	Y	25	Very low	25.3	Very low	237 Å²	237	144.4 Å²	144.4	93%	0.929	82%	0.819	S	S	*	*			trans	-144.3	165.3	145.2	-121.5	-82.6	0	0	0	112.1
103	D	24.3	Very low	26	Very low	144 Å²	144	142.2 Å²	142.2	77%	0.77	81%	0.814	S	S	*	*			trans	-95	175.6	-145	-137.6	-39.6	0	0	0	116.9
104	S	25.9	Very low	26.2	Very low	109 Å²	109	141.2 Å²	141.2	76%	0.762	81%	0.813	S	S	*	*			trans	-87.8	157.1	-174.3	61.4	0	0	0	0	114.8
105	G	24.1	Very low	26.3	Very low	80 Å²	80	136.6 Å²	136.6	83%	0.825	80%	0.804	S	S	*	*			trans	-156.7	142.7	172.9	0	0	0	0	0	111.2
106	S	25.6	Very low	26.3	Very low	107 Å²	107	137.2 Å²	137.2	75%	0.748	81%	0.807	S	S	*	*			trans	-132.7	137.7	-155	59.8	0	0	0	0	116.4
107	F	23.9	Very low	26.4	Very low	206 Å²	206	141.1 Å²	141.1	90%	0.904	81%	0.812	S	S	*	*			trans	64.3	155.1	155.8	-85.5	-125.3	0	0	0	116.6
108	S	24.7	Very low	26.7	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	81%	0.81	S	S	*	*			cis	-163.8	153.7	-5.6	45.2	0	0	0	0	111.1
109	G	24.9	Very low	26.9	Very low	74 Å²	74	138.8 Å²	138.8	76%	0.763	80%	0.803	S	S	*	*			trans	-177.5	137.8	170.7	0	0	0	0	0	115.2
110	I	24.6	Very low	27.1	Very low	166 Å²	166	138.4 Å²	138.4	85%	0.851	80%	0.798	S	S	*	*			trans	-153	154.1	-168.7	-72	178.3	0	0	0	107.2
111	P	39.6	Very low	27.2	Very low	118 Å²	118	139.5 Å²	139.5	77%	0.766	79%	0.79	S	S	*	*			cis	-133.1	176.5	10.6	26.5	-1.7	0	0	0	118.9
112	M	27.7	Very low	27.5	Very low	172 Å²	172	137.9 Å²	137.9	85%	0.847	79%	0.792	S	S	*	*			trans	-43.3	159.1	152.5	-77	-87.1	-171.6	0	0	116.5
113	P	40.1	Very low	27.6	Very low	114 Å²	114	131.1 Å²	131.1	74%	0.74	79%	0.786	S	S	*	*				-142.7	-178.8	79.9	43	-25.8	0	0	0	114.1
114	T	26.3	Very low	27.8	Very low	127 Å²	127	129.3 Å²	129.3	78%	0.779	79%	0.79	S	S	*	*			cis	-145.9	149.8	13.5	-29.4	0	0	0	0	113.4
115	S	25.3	Very low	27.9	Very low	87 Å²	87	128.3 Å²	128.3	61%	0.608	79%	0.789	S	S	*	*			trans	-63.5	159.2	-178.6	56.2	0	0	0	0	119.9
116	L	25.8	Very low	27.9	Very low	180 Å²	180	131 Å²	131	94%	0.942	79%	0.793	S	S	*	*			trans	-132.6	157.6	130.5	-101.7	166.2	0	0	0	109.4
117	K	26.6	Very low	28.2	Very low	182 Å²	182	132.8 Å²	132.8	79%	0.791	80%	0.799	S	S	*	*			trans	-131.1	174.1	-161.8	-79.4	-174.3	177.2	177.7	0	114.3
118	V	29.6	Very low	28.6	Very low	141 Å²	141	126.6 Å²	126.6	86%	0.855	79%	0.794	S	S	*	*			trans	87.4	132.3	166.1	-179.7	0	0	0	0	114.1
119	S	27.5	Very low	28.8	Very low	100 Å²	100	125.5 Å²	125.5	70%	0.699	79%	0.792	S	S	*	*			cis	-166.5	-176.7	-20.2	63.4	0	0	0	0	108.8
120	K	29.7	Very low	29.3	Very low	175 Å²	175	132 Å²	132	76%	0.761	80%	0.799	S	S	*	*			cis	-161.9	178.3	4.8	-145.8	-177	170.4	-178.8	0	110.5
121	N	27.1	Very low	29.5	Very low	123 Å²	123	131 Å²	131	66%	0.658	80%	0.795	S	S	*	*			trans	67.5	107.1	152.2	-76.5	12.1	0	0	0	122.4
122	V	28.4	Very low	29	Very low	143 Å²	143	133 Å²	133	87%	0.867	80%	0.799	S	S	*	*			trans	69.7	137	134.8	-171	0	0	0	0	119.1
123	A	27.1	Very low	29.1	Very low	96 Å²	96	134.2 Å²	134.2	79%	0.793	80%	0.802	S	S	*	*			trans	-128.5	158.6	179	0	0	0	0	0	111.8
124	A	28.5	Very low	28.8	Very low	105 Å²	105	134.3 Å²	134.3	87%	0.868	80%	0.801	S	S	*	*			trans	-143.6	152.5	162.8	0	0	0	0	0	109.4
125	A	28.5	Very low	29.1	Very low	89 Å²	89	132.9 Å²	132.9	74%	0.736	80%	0.802	S	S	*	*			trans	-79	153.2	-160.5	0	0	0	0	0	115.6
126	C	25.5	Very low	29.4	Very low	135 Å²	135	137.3 Å²	137.3	91%	0.912	81%	0.813	S	S	*	*			trans	-142.5	110.6	148.8	-84.4	0	0	0	0	108.5
127	V	30.4	Very low	29.7	Very low	145 Å²	145	137.3 Å²	137.3	88%	0.879	81%	0.808	S	S	*	*			trans	-85.1	140.6	170.2	174.7	0	0	0	0	108.3
128	G	33.4	Very low	29.9	Very low	76 Å²	76	139.9 Å²	139.9	78%	0.784	81%	0.812	S	S	*	*			trans	-77.6	154	-164	0	0	0	0	0	115.8
129	A	29.1	Very low	30.2	Very low	88 Å²	88	140.7 Å²	140.7	73%	0.727	81%	0.811	S	S	*	*			trans	-108.7	130.3	160.5	0	0	0	0	0	109.3	N131	A129-N131 PolarHBondContact O-N 3.26Å
130	K	35.5	Very low	30.7	Very low	209 Å²	209	143.6 Å²	143.6	91%	0.909	81%	0.814	S	S	*	*			trans	-77.3	102.8	174.1	-70.9	-177.8	179.1	-179.5	0	109.4
131	N	27.6	Very low	31.2	Very low	145 Å²	145	145.3 Å²	145.3	78%	0.775	82%	0.821	S	S	*	*			trans	-90.3	117.3	169	-77.9	-11.4	0	0	0	110.4	A129	A129-N131 PolarHBondContact O-N 3.26Å
132	L	30	Very low	32.1	Very low	162 Å²	162	142.7 Å²	142.7	85%	0.848	81%	0.81	S	S	*	*			trans	-63.1	129.5	168	-73.2	148.8	0	0	0	109.2	T134	L132-T134 PolarHBondContact O-N 3.1Å
133	H	29.3	Very low	33	Very low	196 Å²	196	137.4 Å²	137.4	91%	0.907	78%	0.784	S	S	*	*			trans	-75.1	77	170.8	-79.7	-69.4	0	0	0	110.5	A135	H133-A135 PolarHBondContact O-N 3.32Å
134	T	33.1	Very low	34.2	Very low	117 Å²	117	138.8 Å²	138.8	72%	0.718	78%	0.782	S	S	*	*			trans	-61.2	116.8	158.8	47.3	0	0	0	0	107.9	L132 Q136	L132-T134 PolarHBondContact O-N 3.1Å; T134-Q136 PolarHBondContact O-N 3.33Å
135	A	33.2	Very low	35.3	Very low	97 Å²	97	137.5 Å²	137.5	80%	0.802	77%	0.772	S	S	*	*			trans	-65.9	99	176.8	0	0	0	0	0	108.9	H133 H137	H133-A135 PolarHBondContact O-N 3.32Å; A135-H137 PolarHBondContact O-N 2.93Å
136	Q	30.6	Very low	36.6	Very low	180 Å²	180	136.3 Å²	136.3	84%	0.841	75%	0.751	S	S	*	*			trans	-59.1	115.1	174.7	-76.9	-174	-30.2	0	0	108.8	T134 R138	T134-Q136 PolarHBondContact O-N 3.33Å; Q136-R138 PolarHBondContact O-N 3Å
137	H	32.2	Very low	38.3	Very low	180 Å²	180	132.7 Å²	132.7	83%	0.833	73%	0.725	S	S	*	*			trans	-61.5	101.9	174.7	-141.6	-90.2	0	0	0	107.5	A135 L139	A135-H137 PolarHBondContact O-N 2.93Å; H137-L139 PolarHBondContact O-N 3.49Å
138	R	30.8	Very low	40.2	Very low	235 Å²	235	128.4 Å²	128.4	89%	0.887	70%	0.702	S	S	*	*			trans	-77	76.5	-170.1	-163.1	-177.5	-162.9	-173.6	6.5	109.6	Q136 Q140	Q136-R138 PolarHBondContact O-N 3Å; R138-Q140 PolarHBondContact O-N 2.93Å; R138-Q140 VanDerWaalsContact O-N 3.14Å
139	L	36.7	Very low	41.9	Very low	158 Å²	158	127.8 Å²	127.8	83%	0.827	69%	0.685	S	S	*	*			trans	-41.7	120.3	169.8	-83.9	161.3	0	0	0	108.6	H137	H137-L139 PolarHBondContact O-N 3.49Å
140	Q	38.9	Very low	43.9	Very low	161 Å²	161	124.7 Å²	124.7	75%	0.752	66%	0.656	S	S	*	*			trans	-61.5	140.9	175.5	-67.9	-173.2	1.4	0	0	108.2	R138 T142	R138-Q140 PolarHBondContact O-N 2.93Å; R138-Q140 VanDerWaalsContact O-N 3.14Å; Q140-T142 PolarHBondContact O-N 3.33Å; Q140-T142 PolarHBondContact O-OG1 3.43Å
141	K	38.7	Very low	45.7	Very low	212 Å²	212	119 Å²	119	92%	0.922	64%	0.635	S	S	*	*			trans	-81.3	73.1	-179.6	-157.6	178.3	-173.4	-175	0	109.3
142	T	46.3	Very low	48	Very low	68 Å²	68	117.8 Å²	117.8	42%	0.417	63%	0.625	S	S	.	*			trans	-57	149	175.8	-41.4	0	0	0	0	110.3	Q140 T144 V147	Q140-T142 PolarHBondContact O-N 3.33Å; Q140-T142 PolarHBondContact O-OG1 3.43Å; T142-T144 PolarHBondContact O-N 3.33Å; T142-V147 HydrophobicContact CG2-CG2 3.96Å
143	G	47.4	Very low	50	Low	31 Å²	31	113.6 Å²	113.6	32%	0.32	60%	0.601	S	S	.	*			trans	-62	120.2	-179.5	0	0	0	0	0	111.3	A145 E146	G143-A145 PolarHBondContact O-N 3.4Å; G143-A145 VanDerWaalsContact O-N 3.17Å; G143-E146 PolarHBondContact O-N 3.1Å
144	T	51.9	Low	51.9	Low	125 Å²	125	110 Å²	110	77%	0.767	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-14.4	-175.8	48.3	0	0	0	0	113.9	T142 S148	T142-T144 PolarHBondContact O-N 3.33Å; T144-S148 PolarHBondContact O-OG 2.95Å
145	A	52.5	Low	54.1	Low	79 Å²	79	111.2 Å²	111.2	65%	0.653	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-52.6	173.8	0	0	0	0	0	111.6	G143 V147 S148	G143-A145 PolarHBondContact O-N 3.4Å; G143-A145 VanDerWaalsContact O-N 3.17Å; A145-V147 PolarHBondContact O-N 2.66Å; A145-V147 VanDerWaalsContact O-N 3.08Å; A145-S148 WeakPolarHBondContact O-CB 3.29Å; A145-S148 PolarHBondContact O-N 3.44Å
146	E	55	Low	56.1	Low	63 Å²	63	114.2 Å²	114.2	29%	0.294	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.3	-31.6	-176.6	-64.2	167.9	-143.7	0	0	113.4	G143 I150	G143-E146 PolarHBondContact O-N 3.1Å; E146-I150 WeakPolarHBondContact O-CD1 3.33Å
147	V	62.1	Low	57.7	Low	59 Å²	59	108.6 Å²	108.6	36%	0.358	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86	-22.3	-178.7	-172.6	0	0	0	0	112.4	T142 A145 I150 L151	T142-V147 HydrophobicContact CG2-CG2 3.96Å; A145-V147 PolarHBondContact O-N 2.66Å; A145-V147 VanDerWaalsContact O-N 3.08Å; V147-I150 PolarHBondContact O-N 3.26Å; V147-L151 HydrophobicContact CG1-CD1 3.85Å; V147-L151 HydrophobicContact CG1-CG 4.06Å; V147-L151 WeakPolarHBondContact O-CG 3.41Å; V147-L151 PolarHBondContact O-N 2.83Å
148	S	69.1	Low	59	Low	56 Å²	56	102.7 Å²	102.7	39%	0.392	56%	0.555	S	S	.	*	H	α-helix	trans	-68.1	-46.2	-170.9	-68	0	0	0	0	112.9	T144 A145 I150 L151 E152	T144-S148 PolarHBondContact O-OG 2.95Å; A145-S148 WeakPolarHBondContact O-CB 3.29Å; A145-S148 PolarHBondContact O-N 3.44Å; S148-I150 VanDerWaalsContact C-N 3.33Å; S148-I150 PolarHBondContact O-N 3.32Å; S148-L151 WeakPolarHBondContact O-CB 3.34Å; S148-L151 PolarHBondContact O-N 3.13Å; S148-L151 VanDerWaalsContact O-N 3.14Å; S148-E152 WeakPolarHBondContact O-CG 3.35Å; S148-E152 PolarHBondContact O-N 2.88Å
149	S	70.2	Confident	60	Low	62 Å²	62	98.1 Å²	98.1	43%	0.434	55%	0.548	S	S	.	.	H	α-helix	trans	-63.3	-37.2	178	52.1	0	0	0	0	112.9	L151 E152 E153	S149-L151 VanDerWaalsContact C-N 3.32Å; S149-E152 PolarHBondContact O-N 3.37Å; S149-E153 PolarHBondContact O-N 2.9Å
150	I	71.8	Confident	61	Low	24 Å²	24	93.2 Å²	93.2	12%	0.123	53%	0.525	C	S	.	.	H	α-helix	trans	-68.8	-32.9	176.4	-50.2	173.1	0	0	0	111	E146 V147 S148 K154 L171 Y181	E146-I150 WeakPolarHBondContact O-CD1 3.33Å; V147-I150 PolarHBondContact O-N 3.26Å; S148-I150 VanDerWaalsContact C-N 3.33Å; S148-I150 PolarHBondContact O-N 3.32Å; I150-K154 WeakPolarHBondContact O-CD 3.41Å; I150-K154 VanDerWaalsContact O-CG 3.29Å; I150-K154 WeakPolarHBondContact O-CG 3.48Å; I150-K154 PolarHBondContact O-N 2.89Å; I150-L171 HydrophobicContact CD1-CD2 3.77Å; I150-Y181 HydrophobicContact CD1-CD1 4.42Å; I150-Y181 HydrophobicContact CD1-CD2 4.18Å; I150-Y181 HydrophobicContact CD1-CG 4.13Å; I150-Y181 HydrophobicContact CG2-CD1 4.31Å; I150-Y181 HydrophobicContact CG2-CE1 3.75Å; I150-Y181 HydrophobicContact CG2-CE2 4.37Å
151	L	73.2	Confident	61.8	Low	89 Å²	89	88 Å²	88	47%	0.466	51%	0.506	S	S	.	.	H	α-helix	trans	-72.9	-40.1	172.8	-72.8	172.6	0	0	0	111.4	V147 S148 S149 K154 I155	V147-L151 HydrophobicContact CG1-CD1 3.85Å; V147-L151 HydrophobicContact CG1-CG 4.06Å; V147-L151 WeakPolarHBondContact O-CG 3.41Å; V147-L151 PolarHBondContact O-N 2.83Å; S148-L151 WeakPolarHBondContact O-CB 3.34Å; S148-L151 PolarHBondContact O-N 3.13Å; S148-L151 VanDerWaalsContact O-N 3.14Å; S149-L151 VanDerWaalsContact C-N 3.32Å; L151-K154 PolarHBondContact O-N 3.37Å; L151-I155 WeakPolarHBondContact O-CB 3.42Å; L151-I155 WeakPolarHBondContact O-CD1 3.28Å; L151-I155 WeakPolarHBondContact O-CG1 3.28Å; L151-I155 PolarHBondContact O-N 2.89Å
152	E	74.9	Confident	62.7	Low	120 Å²	120	81.4 Å²	81.4	56%	0.561	49%	0.491	S	S	*	.	H	α-helix	trans	-59.6	-50.7	174.5	-74	170.8	177.5	0	0	111.6	S148 S149 K154 I155 M156	S148-E152 WeakPolarHBondContact O-CG 3.35Å; S148-E152 PolarHBondContact O-N 2.88Å; S149-E152 PolarHBondContact O-N 3.37Å; E152-K154 PolarHBondContact O-N 3.07Å; E152-I155 PolarHBondContact O-N 2.91Å; E152-I155 VanDerWaalsContact O-N 3.14Å; E152-M156 WeakPolarHBondContact O-CB 3.27Å; E152-M156 VanDerWaalsContact O-CG 3.32Å; E152-M156 WeakPolarHBondContact O-CG 3.41Å; E152-M156 PolarHBondContact O-N 3.33Å
153	E	71.3	Confident	63.7	Low	74 Å²	74	83.5 Å²	83.5	35%	0.346	50%	0.5	S	S	.	.	H	α-helix	trans	-57.3	-36.6	176.4	-75.6	-172.5	138.9	0	0	112.5	S149 R169	S149-E153 PolarHBondContact O-N 2.9Å; E153-R169 IonicContact OE1-CZ 3.43Å; E153-R169 VanDerWaalsContact OE1-CZ 3.27Å; E153-R169 IonicContact OE1-NH1 2.69Å; E153-R169 PolarHBondContact OE1-NH1 2.89Å; E153-R169 IonicContact OE1-NH2 2.72Å; E153-R169 PolarHBondContact OE1-NH2 3.21Å; E153-R169 IonicContact OE2-CZ 3.78Å; E153-R169 IonicContact OE2-NH1 3.27Å; E153-R169 PolarHBondContact OE2-NH1 2.66Å; E153-R169 IonicContact OE2-NH2 2.74Å
154	K	69.8	Low	64.9	Low	121 Å²	121	83.2 Å²	83.2	53%	0.526	49%	0.491	S	S	.	.	H	α-helix	trans	-73	-39.6	176.1	-74.8	173	-175.8	171.4	0	113.3	I150 L151 E152 M156 G157 Y181	I150-K154 WeakPolarHBondContact O-CD 3.41Å; I150-K154 VanDerWaalsContact O-CG 3.29Å; I150-K154 WeakPolarHBondContact O-CG 3.48Å; I150-K154 PolarHBondContact O-N 2.89Å; L151-K154 PolarHBondContact O-N 3.37Å; E152-K154 PolarHBondContact O-N 3.07Å; K154-M156 VanDerWaalsContact C-N 3.27Å; K154-M156 PolarHBondContact O-N 3.04Å; K154-G157 PolarHBondContact O-N 3.27Å; K154-G157 VanDerWaalsContact O-N 3.16Å; K154-Y181 PolarHBondContact NZ-OH 3.46Å
155	I	78.8	Confident	66.2	Low	141 Å²	141	81 Å²	81	72%	0.723	47%	0.472	S	S	*	.	H	α-helix	trans	-67.5	-31.9	176.7	-70.8	163.3	0	0	0	110.5	L151 E152 G157	L151-I155 WeakPolarHBondContact O-CB 3.42Å; L151-I155 WeakPolarHBondContact O-CD1 3.28Å; L151-I155 WeakPolarHBondContact O-CG1 3.28Å; L151-I155 PolarHBondContact O-N 2.89Å; E152-I155 PolarHBondContact O-N 2.91Å; E152-I155 VanDerWaalsContact O-N 3.14Å; I155-G157 PolarHBondContact O-N 3.31Å
156	M	76.7	Confident	67.8	Low	161 Å²	161	81.3 Å²	81.3	79%	0.793	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-3.7	173.3	-69.9	179.9	68.3	0	0	114.2	E152 K154 A158	E152-M156 WeakPolarHBondContact O-CB 3.27Å; E152-M156 VanDerWaalsContact O-CG 3.32Å; E152-M156 WeakPolarHBondContact O-CG 3.41Å; E152-M156 PolarHBondContact O-N 3.33Å; K154-M156 VanDerWaalsContact C-N 3.27Å; K154-M156 PolarHBondContact O-N 3.04Å; M156-A158 VanDerWaalsContact C-N 3.3Å; M156-A158 PolarHBondContact O-N 2.97Å
157	G	63	Low	69.5	Low	62 Å²	62	80.1 Å²	80.1	64%	0.639	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	19.1	172.5	0	0	0	0	0	115.2	K154 I155 D159	K154-G157 PolarHBondContact O-N 3.27Å; K154-G157 VanDerWaalsContact O-N 3.16Å; I155-G157 PolarHBondContact O-N 3.31Å; G157-D159 PolarHBondContact O-N 3.27Å; G157-D159 VanDerWaalsContact O-N 3.13Å
158	A	59.8	Low	70.9	Confident	56 Å²	56	77.3 Å²	77.3	46%	0.463	44%	0.44	S	S	.	.			trans	-75.8	98.2	178.2	0	0	0	0	0	110.7	M156 T160	M156-A158 VanDerWaalsContact C-N 3.3Å; M156-A158 PolarHBondContact O-N 2.97Å; A158-T160 HydrophobicContact CB-CG2 4.49Å; A158-T160 PolarHBondContact O-N 3.15Å; A158-T160 PolarHBondContact O-OG1 3.48Å
159	D	51.9	Low	72	Confident	138 Å²	138	79.9 Å²	79.9	74%	0.738	44%	0.441	S	S	*	.			trans	-74.9	67.4	-176.4	-154.2	-19.5	0	0	0	112.8	G157 S161	G157-D159 PolarHBondContact O-N 3.27Å; G157-D159 VanDerWaalsContact O-N 3.13Å; D159-S161 PolarHBondContact O-N 3.37Å; D159-S161 WeakPolarHBondContact OD1-CB 3.39Å; D159-S161 PolarHBondContact OD1-OG 3.05Å
160	T	58.1	Low	73.2	Confident	55 Å²	55	77 Å²	77	34%	0.337	42%	0.421	S	S	.	.			trans	-80.4	21.3	177.2	49.1	0	0	0	0	112.5	A158 A162 D163 L164	A158-T160 HydrophobicContact CB-CG2 4.49Å; A158-T160 PolarHBondContact O-N 3.15Å; A158-T160 PolarHBondContact O-OG1 3.48Å; T160-A162 VanDerWaalsContact C-N 3.34Å; T160-A162 PolarHBondContact O-N 3.45Å; T160-D163 PolarHBondContact O-N 3.11Å; T160-L164 WeakPolarHBondContact O-CG 3.47Å; T160-L164 PolarHBondContact O-N 2.83Å
161	S	56.1	Low	74.1	Confident	51 Å²	51	77.3 Å²	77.3	36%	0.357	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-38.9	-169.5	48.2	0	0	0	0	113.7	D159	D159-S161 PolarHBondContact O-N 3.37Å; D159-S161 WeakPolarHBondContact OD1-CB 3.39Å; D159-S161 PolarHBondContact OD1-OG 3.05Å
162	A	57.4	Low	75	Confident	74 Å²	74	74.9 Å²	74.9	61%	0.612	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-40.5	178.5	0	0	0	0	0	113.7	T160 L164 E165	T160-A162 VanDerWaalsContact C-N 3.34Å; T160-A162 PolarHBondContact O-N 3.45Å; A162-L164 PolarHBondContact O-N 2.97Å; A162-E165 WeakPolarHBondContact O-CB 3.45Å; A162-E165 PolarHBondContact O-N 3.18Å
163	D	66.9	Low	75.8	Confident	112 Å²	112	71.5 Å²	71.5	60%	0.599	40%	0.399	S	S	*	.	H	α-helix	trans	-64.4	-31.5	178	-77.2	-39.7	0	0	0	111.9	T160 E165 T167	T160-D163 PolarHBondContact O-N 3.11Å; D163-E165 PolarHBondContact O-N 3.02Å; D163-T167 WeakPolarHBondContact O-CA 3.43Å; D163-T167 WeakPolarHBondContact O-CB 3.45Å; D163-T167 PolarHBondContact O-N 2.98Å; D163-T167 PolarHBondContact O-OG1 3.4Å
164	L	72.1	Confident	76.7	Confident	26 Å²	26	69.7 Å²	69.7	14%	0.136	40%	0.4	C	S	.	.	H	α-helix	trans	-75.7	-3.7	178.3	-70.3	170.5	0	0	0	114.3	T160 A162 T167 Y181 G182 L183 R184	T160-L164 WeakPolarHBondContact O-CG 3.47Å; T160-L164 PolarHBondContact O-N 2.83Å; A162-L164 PolarHBondContact O-N 2.97Å; L164-T167 CarbonylContact C-O 3.53Å; L164-Y181 HydrophobicContact CD1-CE1 4.32Å; L164-Y181 HydrophobicContact CD2-CD1 4.22Å; L164-Y181 HydrophobicContact CD2-CE1 4.28Å; L164-G182 CarbonylContact O-C 3.51Å; L164-G182 WeakPolarHBondContact O-CA 3.24Å; L164-L183 PolarHBondContact O-N 3.42Å; L164-R184 PolarHBondContact O-N 3.47Å
165	E	79.5	Confident	77.5	Confident	79 Å²	79	69.7 Å²	69.7	37%	0.369	41%	0.406	S	S	.	.	H	α-helix	trans	-80.1	-49.3	173.6	-72.1	-165.1	-167.1	0	0	112.6	A162 D163 L183 R184 N185	A162-E165 WeakPolarHBondContact O-CB 3.45Å; A162-E165 PolarHBondContact O-N 3.18Å; D163-E165 PolarHBondContact O-N 3.02Å; E165-L183 CarbonylContact O-C 3.53Å; E165-L183 VanDerWaalsContact O-C 3.29Å; E165-L183 WeakPolarHBondContact O-CA 3.25Å; E165-R184 HydrophobicContact CG-CB 4.49Å; E165-R184 PolarHBondContact O-N 2.9Å; E165-R184 VanDerWaalsContact O-N 3.14Å; E165-N185 PolarHBondContact O-N 2.67Å; E165-N185 PolarHBondContact OE2-ND2 3.37Å
166	E	86.8	Confident	78	Confident	84 Å²	84	63.5 Å²	63.5	39%	0.393	38%	0.377	S	S	.	.	H	α-helix	trans	-101.9	-15.7	-175.8	-61	-62.1	119.6	0	0	113.2	N185 R229	E166-N185 VanDerWaalsContact OE1-CB 3.26Å; E166-N185 WeakPolarHBondContact OE1-CB 3.3Å; E166-N185 PolarHBondContact OE1-ND2 3.23Å; E166-R229 VanDerWaalsContact CD-NH1 3.33Å; E166-R229 WeakPolarHBondContact O-CG 3.23Å; E166-R229 PolarHBondContact O-N 3.48Å; E166-R229 IonicContact OE1-CZ 3.54Å; E166-R229 IonicContact OE1-NH1 2.7Å; E166-R229 PolarHBondContact OE1-NH1 2.93Å; E166-R229 WeakPolarHBondContact OE2-CD 3.23Å; E166-R229 IonicContact OE2-CZ 3.26Å; E166-R229 IonicContact OE2-NE 3.16Å; E166-R229 IonicContact OE2-NH1 3.55Å; E166-R229 PolarHBondContact OE2-NH1 3.12Å
167	T	90.9	Very high	78.8	Confident	38 Å²	38	56.9 Å²	56.9	23%	0.233	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	165.4	175.1	80.8	0	0	0	0	111.9	D163 L164 L183 V227 K228	D163-T167 WeakPolarHBondContact O-CA 3.43Å; D163-T167 WeakPolarHBondContact O-CB 3.45Å; D163-T167 PolarHBondContact O-N 2.98Å; D163-T167 PolarHBondContact O-OG1 3.4Å; L164-T167 CarbonylContact C-O 3.53Å; T167-L183 PolarHBondContact O-N 3.19Å; T167-V227 CarbonylContact C-O 3.57Å; T167-V227 WeakPolarHBondContact CA-O 3.26Å; T167-K228 HydrophobicContact CG2-CG 4.14Å
168	G	91	Very high	80.2	Confident	1 Å²	1	54 Å²	54	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	175.8	174.4	0	0	0	0	0	112.5	Y181 I226 V227	G168-Y181 CarbonylContact C-O 3.59Å; G168-Y181 WeakPolarHBondContact CA-O 3.35Å; G168-I226 CarbonylContact O-C 3.54Å; G168-I226 WeakPolarHBondContact O-CA 3.45Å; G168-V227 PolarHBondContact N-O 2.96Å; G168-V227 PolarHBondContact O-N 3.23Å
169	R	92	Very high	81.8	Confident	109 Å²	109	54.7 Å²	54.7	41%	0.411	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.1	175.8	-61.2	-173.7	-168.8	159.8	2.3	111	E153 L171 V180 Y181 D225	E153-R169 IonicContact OE1-CZ 3.43Å; E153-R169 VanDerWaalsContact OE1-CZ 3.27Å; E153-R169 IonicContact OE1-NH1 2.69Å; E153-R169 PolarHBondContact OE1-NH1 2.89Å; E153-R169 IonicContact OE1-NH2 2.72Å; E153-R169 PolarHBondContact OE1-NH2 3.21Å; E153-R169 IonicContact OE2-CZ 3.78Å; E153-R169 IonicContact OE2-NH1 3.27Å; E153-R169 PolarHBondContact OE2-NH1 2.66Å; E153-R169 IonicContact OE2-NH2 2.74Å; R169-L171 PolarHBondContact O-N 3.31Å; R169-V180 CarbonylContact O-C 3.59Å; R169-V180 WeakPolarHBondContact O-CA 3.5Å; R169-Y181 PolarHBondContact N-O 3.39Å; R169-Y181 PolarHBondContact O-N 2.82Å; R169-D225 CarbonylContact C-O 3.57Å; R169-D225 WeakPolarHBondContact CA-O 3.45Å
170	V	94.3	Very high	83.8	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	121.3	174.1	177.9	0	0	0	0	110.1	I173 R179 F194 I221 K222 G224 D225 V227	V170-I173 HydrophobicContact CG1-CB 4.25Å; V170-I173 HydrophobicContact CG1-CG2 4.46Å; V170-R179 CarbonylContact C-O 3.58Å; V170-R179 WeakPolarHBondContact CA-O 3.5Å; V170-F194 HydrophobicContact CG2-CD1 4.04Å; V170-F194 HydrophobicContact CG2-CE1 3.85Å; V170-I221 HydrophobicContact CG1-CG2 4.31Å; V170-I221 HydrophobicContact CG2-CG2 3.92Å; V170-K222 WeakPolarHBondContact CB-O 3.02Å; V170-K222 WeakPolarHBondContact CG1-O 3.49Å; V170-G224 PolarHBondContact O-N 3.4Å; V170-D225 HydrophobicContact CB-CB 4.47Å; V170-D225 HydrophobicContact CG2-CB 4.08Å; V170-D225 PolarHBondContact N-O 3.34Å; V170-V227 HydrophobicContact CG2-CG2 3.61Å
171	L	91.5	Very high	85.4	Confident	31 Å²	31	47.7 Å²	47.7	16%	0.162	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-38	172.2	-62.8	-178.5	0	0	0	112.1	I150 R169 R179 N209	I150-L171 HydrophobicContact CD1-CD2 3.77Å; R169-L171 PolarHBondContact O-N 3.31Å; L171-R179 HydrophobicContact CB-CB 4.34Å; L171-R179 PolarHBondContact N-O 3.11Å; L171-N209 HydrophobicContact CD1-CB 4.32Å
172	S	91.1	Very high	87	Confident	38 Å²	38	45.9 Å²	45.9	27%	0.266	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	151.2	177.7	40	0	0	0	0	110.2	A178 R179	S172-A178 CarbonylContact O-C 3.57Å; S172-A178 WeakPolarHBondContact O-CA 3.25Å; S172-R179 PolarHBondContact O-N 2.96Å
173	I	92.8	Very high	88.6	Confident	49 Å²	49	42.4 Å²	42.4	25%	0.251	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	132.2	179.1	174.5	71.2	0	0	0	108.9	V170 I177 A178 V214 D218 I221	V170-I173 HydrophobicContact CG1-CB 4.25Å; V170-I173 HydrophobicContact CG1-CG2 4.46Å; I173-I177 WeakPolarHBondContact CA-O 3.37Å; I173-A178 HydrophobicContact CD1-CB 3.9Å; I173-V214 HydrophobicContact CD1-CG2 3.95Å; I173-D218 HydrophobicContact CD1-CB 3.84Å; I173-D218 HydrophobicContact CG1-CB 3.95Å; I173-I221 HydrophobicContact CB-CG2 4.3Å; I173-I221 HydrophobicContact CD1-CB 4.5Å; I173-I221 HydrophobicContact CD1-CD1 4.45Å; I173-I221 HydrophobicContact CD1-CG2 4.41Å; I173-I221 HydrophobicContact CG1-CB 4.25Å; I173-I221 HydrophobicContact CG1-CG2 4.22Å; I173-I221 HydrophobicContact CG2-CG2 4.41Å
174	G	90	Very high	89.6	Confident	36 Å²	36	44 Å²	44	37%	0.371	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-172	147.3	174.5	0	0	0	0	0	112.7	G176 I177	G174-G176 PolarHBondContact O-N 3.1Å; G174-G176 VanDerWaalsContact O-N 3.1Å; G174-I177 PolarHBondContact N-O 3.29Å; G174-I177 PolarHBondContact O-N 3.36Å
175	D	87.5	Confident	90.5	Very high	120 Å²	120	46 Å²	46	64%	0.642	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	33.2	180	-61.5	-47.5	0	0	0	114.3	D218 L423	D175-D218 PolarHBondContact N-OD2 2.94Å; D175-L423 HydrophobicContact CB-CD1 3.71Å; D175-L423 HydrophobicContact CB-CD2 3.73Å; D175-L423 HydrophobicContact CB-CG 4.36Å; D175-L423 WeakPolarHBondContact O-CD1 3.48Å
176	G	89.3	Confident	91.2	Very high	12 Å²	12	42.8 Å²	42.8	12%	0.124	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	12.5	-176.3	0	0	0	0	0	116.2	G174 V214 D218	G174-G176 PolarHBondContact O-N 3.1Å; G174-G176 VanDerWaalsContact O-N 3.1Å; G176-V214 WeakPolarHBondContact O-CB 3.41Å; G176-V214 PolarHBondContact O-N 3.18Å; G176-D218 PolarHBondContact N-OD2 2.84Å
177	I	92.4	Very high	91.5	Very high	22 Å²	22	43.4 Å²	43.4	11%	0.113	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.5	176.6	-54	-157.3	0	0	0	110.9	I173 G174 V213 L423 L424	I173-I177 WeakPolarHBondContact CA-O 3.37Å; G174-I177 PolarHBondContact N-O 3.29Å; G174-I177 PolarHBondContact O-N 3.36Å; I177-V213 HydrophobicContact CD1-CG2 3.92Å; I177-V213 HydrophobicContact CG1-CG2 4.08Å; I177-V213 HydrophobicContact CG2-CG2 4.43Å; I177-L423 HydrophobicContact CD1-CB 3.42Å; I177-L423 VanDerWaalsContact CD1-CB 3.42Å; I177-L423 HydrophobicContact CD1-CD1 4.49Å; I177-L423 HydrophobicContact CG1-CB 4.15Å; I177-L424 HydrophobicContact CD1-CD2 3.8Å; I177-L424 HydrophobicContact CD1-CG 3.7Å; I177-L424 HydrophobicContact CG2-CD2 4.02Å
178	A	93.6	Very high	91.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	137.9	172.3	0	0	0	0	0	110.7	S172 I173 V180 F194 V212 V214	S172-A178 CarbonylContact O-C 3.57Å; S172-A178 WeakPolarHBondContact O-CA 3.25Å; I173-A178 HydrophobicContact CD1-CB 3.9Å; A178-V180 HydrophobicContact CB-CG2 4.31Å; A178-F194 HydrophobicContact CB-CE1 3.82Å; A178-F194 HydrophobicContact CB-CZ 3.82Å; A178-V212 HydrophobicContact CB-CB 4.41Å; A178-V212 PolarHBondContact N-O 3.3Å; A178-V212 PolarHBondContact O-N 2.96Å; A178-V212 VanDerWaalsContact O-O 3.06Å; A178-V214 HydrophobicContact CB-CG2 4.4Å
179	R	93	Very high	91.5	Very high	72 Å²	72	46.4 Å²	46.4	27%	0.272	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.1	164.6	-72.1	175.8	147.8	-142	-23.7	108.2	V170 L171 S172 E206	V170-R179 CarbonylContact C-O 3.58Å; V170-R179 WeakPolarHBondContact CA-O 3.5Å; L171-R179 HydrophobicContact CB-CB 4.34Å; L171-R179 PolarHBondContact N-O 3.11Å; S172-R179 PolarHBondContact O-N 2.96Å; R179-E206 IonicContact NH2-OE2 2.74Å
180	V	93.4	Very high	91.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.1	-172.3	-173.1	0	0	0	0	110.3	R169 A178 L183 N209 V210 V212 V227	R169-V180 CarbonylContact O-C 3.59Å; R169-V180 WeakPolarHBondContact O-CA 3.5Å; A178-V180 HydrophobicContact CB-CG2 4.31Å; V180-L183 HydrophobicContact CB-CD1 4.25Å; V180-L183 HydrophobicContact CG1-CD1 3.67Å; V180-L183 HydrophobicContact CG1-CG 4.11Å; V180-N209 CarbonylContact O-C 3.51Å; V180-N209 WeakPolarHBondContact O-CA 3.44Å; V180-V210 PolarHBondContact N-O 3.32Å; V180-V210 PolarHBondContact O-N 2.91Å; V180-V212 HydrophobicContact CB-CG2 4.41Å; V180-V212 HydrophobicContact CG2-CB 4.17Å; V180-V212 HydrophobicContact CG2-CG2 3.72Å; V180-V227 HydrophobicContact CG1-CB 3.96Å; V180-V227 HydrophobicContact CG1-CG2 3.86Å; V180-V227 HydrophobicContact CG2-CG2 3.92Å
181	Y	91.6	Very high	91.6	Very high	46 Å²	46	42.2 Å²	42.2	18%	0.18	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	142.9	170.5	-172.2	-108.9	0	0	0	110.8	I150 K154 L164 G168 R169 D208	I150-Y181 HydrophobicContact CD1-CD1 4.42Å; I150-Y181 HydrophobicContact CD1-CD2 4.18Å; I150-Y181 HydrophobicContact CD1-CG 4.13Å; I150-Y181 HydrophobicContact CG2-CD1 4.31Å; I150-Y181 HydrophobicContact CG2-CE1 3.75Å; I150-Y181 HydrophobicContact CG2-CE2 4.37Å; K154-Y181 PolarHBondContact NZ-OH 3.46Å; L164-Y181 HydrophobicContact CD1-CE1 4.32Å; L164-Y181 HydrophobicContact CD2-CD1 4.22Å; L164-Y181 HydrophobicContact CD2-CE1 4.28Å; G168-Y181 CarbonylContact C-O 3.59Å; G168-Y181 WeakPolarHBondContact CA-O 3.35Å; R169-Y181 PolarHBondContact N-O 3.39Å; R169-Y181 PolarHBondContact O-N 2.82Å; Y181-D208 VanDerWaalsContact CD2-O 3.25Å; Y181-D208 WeakPolarHBondContact CD2-O 3.42Å
182	G	89.9	Confident	91.8	Very high	13 Å²	13	40.7 Å²	40.7	13%	0.134	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.1	-142.9	-172.5	0	0	0	0	0	111.6	L164 R184	L164-G182 CarbonylContact O-C 3.51Å; L164-G182 WeakPolarHBondContact O-CA 3.24Å; G182-R184 VanDerWaalsContact C-N 3.25Å; G182-R184 PolarHBondContact O-N 3.28Å
183	L	90.4	Very high	91.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.223	C	C	.	.			trans	52.7	36.3	-177.5	-61.9	178.9	0	0	0	113.9	L164 E165 T167 V180 N185 V186 V192 V210 V227 R229	L164-L183 PolarHBondContact O-N 3.42Å; E165-L183 CarbonylContact O-C 3.53Å; E165-L183 VanDerWaalsContact O-C 3.29Å; E165-L183 WeakPolarHBondContact O-CA 3.25Å; T167-L183 PolarHBondContact O-N 3.19Å; V180-L183 HydrophobicContact CB-CD1 4.25Å; V180-L183 HydrophobicContact CG1-CD1 3.67Å; V180-L183 HydrophobicContact CG1-CG 4.11Å; L183-N185 PolarHBondContact O-N 2.87Å; L183-V186 HydrophobicContact CB-CB 4.12Å; L183-V186 HydrophobicContact CB-CG1 4.06Å; L183-V186 VanDerWaalsContact O-CB 3.31Å; L183-V186 WeakPolarHBondContact O-CB 3.27Å; L183-V186 WeakPolarHBondContact O-CG1 3.44Å; L183-V186 PolarHBondContact O-N 2.91Å; L183-V192 HydrophobicContact CD1-CG1 4.33Å; L183-V210 HydrophobicContact CB-CG2 4.31Å; L183-V227 HydrophobicContact CD1-CB 4.41Å; L183-V227 HydrophobicContact CD1-CG1 4.05Å; L183-R229 HydrophobicContact CD2-CB 4.3Å
184	R	88.1	Confident	92.1	Very high	144 Å²	144	40.6 Å²	40.6	54%	0.543	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-30.5	-171.1	-63.2	176.1	-179.4	177.3	2.6	114.5	L164 E165 G182	L164-R184 PolarHBondContact O-N 3.47Å; E165-R184 HydrophobicContact CG-CB 4.49Å; E165-R184 PolarHBondContact O-N 2.9Å; E165-R184 VanDerWaalsContact O-N 3.14Å; G182-R184 VanDerWaalsContact C-N 3.25Å; G182-R184 PolarHBondContact O-N 3.28Å
185	N	91	Very high	92.1	Very high	68 Å²	68	42.2 Å²	42.2	36%	0.364	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	2.6	-177.7	-67.5	-15.1	0	0	0	113.9	E165 E166 L183 R229	E165-N185 PolarHBondContact O-N 2.67Å; E165-N185 PolarHBondContact OE2-ND2 3.37Å; E166-N185 VanDerWaalsContact OE1-CB 3.26Å; E166-N185 WeakPolarHBondContact OE1-CB 3.3Å; E166-N185 PolarHBondContact OE1-ND2 3.23Å; L183-N185 PolarHBondContact O-N 2.87Å; N185-R229 VanDerWaalsContact CB-NH1 3.35Å; N185-R229 PolarHBondContact O-NH1 3.27Å; N185-R229 PolarHBondContact O-NH2 3.5Å
186	V	93.8	Very high	92.3	Very high	13 Å²	13	39 Å²	39	8%	0.079	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-70.5	135.4	-175.7	80.9	0	0	0	0	112.3	L183 E190 V192 L205 V210 R229	L183-V186 HydrophobicContact CB-CB 4.12Å; L183-V186 HydrophobicContact CB-CG1 4.06Å; L183-V186 VanDerWaalsContact O-CB 3.31Å; L183-V186 WeakPolarHBondContact O-CB 3.27Å; L183-V186 WeakPolarHBondContact O-CG1 3.44Å; L183-V186 PolarHBondContact O-N 2.91Å; V186-E190 HydrophobicContact CG2-CB 3.89Å; V186-E190 HydrophobicContact CG2-CG 4.34Å; V186-V192 HydrophobicContact CG2-CG1 4.16Å; V186-L205 HydrophobicContact CG1-CD2 3.87Å; V186-V210 HydrophobicContact CG1-CG1 4.12Å; V186-V210 HydrophobicContact CG1-CG2 3.93Å; V186-R229 HydrophobicContact CG2-CB 4.34Å
187	Q	93.3	Very high	92.3	Very high	96 Å²	96	40.5 Å²	40.5	45%	0.449	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-85.5	167.2	176.9	-58.9	-179.3	5.4	0	0	110.5	E190 S202	Q187-E190 HydrophobicContact CB-CB 4.17Å; Q187-E190 PolarHBondContact N-OE2 3.34Å; Q187-E190 WeakPolarHBondContact O-CB 3.25Å; Q187-S202 PolarHBondContact O-OG 3.05Å
188	A	91.7	Very high	92.3	Very high	57 Å²	57	40.9 Å²	40.9	47%	0.471	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	145.3	169.8	0	0	0	0	0	110.7	E190 L205	A188-E190 PolarHBondContact O-N 3.16Å; A188-L205 HydrophobicContact CB-CD1 4.26Å
189	E	91.2	Very high	92.3	Very high	45 Å²	45	44.5 Å²	44.5	21%	0.21	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	24.3	-168.5	-57.6	-174	161.3	0	0	112.9	M201 S202 I233 V234 R443	E189-M201 HydrophobicContact CB-SD 4.4Å; E189-S202 WeakPolarHBondContact CA-O 3.49Å; E189-S202 PolarHBondContact N-O 3.36Å; E189-I233 HydrophobicContact CB-CG2 4.38Å; E189-I233 WeakPolarHBondContact O-CA 3.42Å; E189-V234 PolarHBondContact O-N 2.77Å; E189-R443 IonicContact OE1-CZ 3.51Å; E189-R443 IonicContact OE1-NH1 3.97Å; E189-R443 PolarHBondContact OE1-NH1 3.19Å; E189-R443 IonicContact OE1-NH2 3.74Å; E189-R443 PolarHBondContact OE1-NH2 2.98Å; E189-R443 IonicContact OE2-NH1 2.67Å
190	E	94.3	Very high	92.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	141.9	173.9	-156	-175.3	137.6	0	0	111.3	V186 Q187 A188 M201 S202 R229 G231 A232	V186-E190 HydrophobicContact CG2-CB 3.89Å; V186-E190 HydrophobicContact CG2-CG 4.34Å; Q187-E190 HydrophobicContact CB-CB 4.17Å; Q187-E190 PolarHBondContact N-OE2 3.34Å; Q187-E190 WeakPolarHBondContact O-CB 3.25Å; A188-E190 PolarHBondContact O-N 3.16Å; E190-M201 WeakPolarHBondContact O-CA 3.27Å; E190-S202 PolarHBondContact N-OG 2.77Å; E190-S202 PolarHBondContact O-N 3.36Å; E190-S202 PolarHBondContact O-OG 3.34Å; E190-R229 WeakPolarHBondContact OE1-CB 3.27Å; E190-R229 IonicContact OE1-CZ 2.69Å; E190-R229 IonicContact OE1-NE 2.72Å; E190-R229 PolarHBondContact OE1-NE 3.24Å; E190-R229 IonicContact OE1-NH2 3.16Å; E190-R229 PolarHBondContact OE1-NH2 3.42Å; E190-R229 IonicContact OE2-CZ 3.83Å; E190-R229 IonicContact OE2-NE 3.35Å; E190-R229 PolarHBondContact OE2-NE 3.41Å; E190-R229 IonicContact OE2-NH2 3.83Å; E190-R229 PolarHBondContact OE2-NH2 3.08Å; E190-G231 VanDerWaalsContact OE1-CA 3.26Å; E190-G231 WeakPolarHBondContact OE1-CA 3.36Å; E190-G231 PolarHBondContact OE1-N 3.27Å; E190-A232 VanDerWaalsContact CG-O 3.3Å; E190-A232 WeakPolarHBondContact CG-O 3.35Å
191	M	93.5	Very high	92.4	Very high	23 Å²	23	41.2 Å²	41.2	11%	0.113	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	138.6	172.3	-103	-99.2	-63.8	0	0	111.6	K199 G200 F215 T230 A232 V234	M191-K199 HydrophobicContact CE-CB 4.25Å; M191-K199 HydrophobicContact CE-CD 3.62Å; M191-K199 HydrophobicContact CE-CG 3.97Å; M191-K199 HydrophobicContact SD-CB 3.91Å; M191-K199 HydrophobicContact SD-CD 4.4Å; M191-K199 HydrophobicContact SD-CG 4.28Å; M191-G200 WeakPolarHBondContact CA-O 3.33Å; M191-F215 HydrophobicContact SD-CD2 4.26Å; M191-F215 HydrophobicContact SD-CE2 4.11Å; M191-T230 HydrophobicContact CB-CG2 4.08Å; M191-T230 WeakPolarHBondContact CB-OG1 3.19Å; M191-T230 HydrophobicContact CE-CG2 4.38Å; M191-T230 WeakPolarHBondContact O-CB 3.35Å; M191-T230 WeakPolarHBondContact O-CG2 3.34Å; M191-T230 PolarHBondContact O-N 3.18Å; M191-T230 PolarHBondContact O-OG1 3.07Å; M191-A232 PolarHBondContact N-O 2.95Å; M191-V234 HydrophobicContact CG-CB 4.48Å; M191-V234 HydrophobicContact CG-CG2 3.87Å
192	V	95	Very high	92.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156.7	173	-56.1	0	0	0	0	110.5	L183 V186 K199 G200 V212 V227 K228 R229	L183-V192 HydrophobicContact CD1-CG1 4.33Å; V186-V192 HydrophobicContact CG2-CG1 4.16Å; V192-K199 CarbonylContact O-C 3.56Å; V192-K199 WeakPolarHBondContact O-CA 3.33Å; V192-G200 PolarHBondContact N-O 3.24Å; V192-G200 PolarHBondContact O-N 3.09Å; V192-V212 HydrophobicContact CG2-CB 4.42Å; V192-V212 HydrophobicContact CG2-CG1 3.41Å; V192-V212 VanDerWaalsContact CG2-CG1 3.41Å; V192-V212 HydrophobicContact CG2-CG2 4.09Å; V192-V227 HydrophobicContact CB-CG1 3.87Å; V192-V227 HydrophobicContact CG2-CG1 3.91Å; V192-K228 CarbonylContact C-O 3.55Å; V192-K228 WeakPolarHBondContact CA-O 2.91Å; V192-K228 WeakPolarHBondContact CB-O 3.46Å; V192-R229 HydrophobicContact CG1-CB 4.42Å
193	E	95.1	Very high	92.5	Very high	77 Å²	77	39.6 Å²	39.6	36%	0.36	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.5	-179.2	-167.6	159.8	160.6	0	0	109.9	L198 K199 K228	E193-L198 WeakPolarHBondContact CA-O 3.36Å; E193-K199 HydrophobicContact CG-CG 4.28Å; E193-K199 WeakPolarHBondContact OE2-CE 3.37Å; E193-K199 IonicContact OE2-NZ 2.98Å; E193-K228 PolarHBondContact N-O 3.12Å; E193-K228 PolarHBondContact O-N 3.21Å
194	F	95.1	Very high	92.4	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	158.3	178.6	-65.9	-94.9	0	0	0	110.4	V170 A178 S196 G197 L198 V212 V214 I221 V227	V170-F194 HydrophobicContact CG2-CD1 4.04Å; V170-F194 HydrophobicContact CG2-CE1 3.85Å; A178-F194 HydrophobicContact CB-CE1 3.82Å; A178-F194 HydrophobicContact CB-CZ 3.82Å; F194-S196 PolarHBondContact O-N 2.78Å; F194-G197 PolarHBondContact O-N 3.16Å; F194-L198 HydrophobicContact CD2-CB 4.37Å; F194-L198 WeakPolarHBondContact CD2-O 3.35Å; F194-L198 PolarHBondContact N-O 2.82Å; F194-V212 HydrophobicContact CE2-CG1 4.03Å; F194-V212 HydrophobicContact CZ-CB 4.45Å; F194-V212 HydrophobicContact CZ-CG1 3.69Å; F194-V214 HydrophobicContact CE2-CG2 4.06Å; F194-V214 HydrophobicContact CZ-CG2 3.92Å; F194-I221 HydrophobicContact CB-CD1 4.41Å; F194-I221 HydrophobicContact CB-CG1 4.23Å; F194-I221 HydrophobicContact CD1-CD1 3.71Å; F194-I221 HydrophobicContact CD1-CG1 3.9Å; F194-I221 HydrophobicContact CD1-CG2 3.86Å; F194-I221 HydrophobicContact CD2-CD1 3.82Å; F194-I221 HydrophobicContact CE1-CD1 3.83Å; F194-I221 HydrophobicContact CE1-CG1 4.41Å; F194-I221 HydrophobicContact CE1-CG2 4.05Å; F194-I221 HydrophobicContact CE2-CD1 3.93Å; F194-I221 HydrophobicContact CG-CD1 3.72Å; F194-I221 HydrophobicContact CG-CG1 3.98Å; F194-I221 HydrophobicContact CZ-CD1 3.94Å; F194-V227 HydrophobicContact CD1-CG2 3.63Å; F194-V227 HydrophobicContact CE1-CG1 4.5Å; F194-V227 HydrophobicContact CE1-CG2 3.7Å
195	S	91.9	Very high	92.6	Very high	71 Å²	71	38.2 Å²	38.2	50%	0.497	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	-32	171.6	57.6	0	0	0	0	114.6	G197 D225 I226	S195-G197 VanDerWaalsContact C-N 3.3Å; S195-G197 PolarHBondContact O-N 3.3Å; S195-D225 PolarHBondContact OG-OD1 3.22Å; S195-I226 PolarHBondContact N-O 3.31Å
196	S	90.4	Very high	92.6	Very high	52 Å²	52	38 Å²	38	36%	0.364	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	3.4	178.4	55.3	0	0	0	0	115.2	F194 L198 L220	F194-S196 PolarHBondContact O-N 2.78Å; S196-L198 PolarHBondContact O-N 3.46Å; S196-L220 WeakPolarHBondContact CB-O 3.33Å; S196-L220 PolarHBondContact OG-O 3.35Å; S196-L220 VanDerWaalsContact OG-O 3.09Å
197	G	90.3	Very high	92.2	Very high	44 Å²	44	44.3 Å²	44.3	45%	0.454	26%	0.258	S	S	.	.	S	Bend	trans	73.5	1.5	-175	0	0	0	0	0	114.1	F194 S195	F194-G197 PolarHBondContact O-N 3.16Å; S195-G197 VanDerWaalsContact C-N 3.3Å; S195-G197 PolarHBondContact O-N 3.3Å
198	L	92	Very high	91.9	Very high	30 Å²	30	44 Å²	44	16%	0.157	26%	0.26	C	S	.	.			trans	-68.6	151.9	167.4	-73.4	-172.8	0	0	0	110.7	E193 F194 S196 V214 N217 L220 I221	E193-L198 WeakPolarHBondContact CA-O 3.36Å; F194-L198 HydrophobicContact CD2-CB 4.37Å; F194-L198 WeakPolarHBondContact CD2-O 3.35Å; F194-L198 PolarHBondContact N-O 2.82Å; S196-L198 PolarHBondContact O-N 3.46Å; L198-V214 HydrophobicContact CD1-CG1 4.28Å; L198-N217 VanDerWaalsContact CD1-O 3.25Å; L198-N217 WeakPolarHBondContact CD1-O 3.46Å; L198-L220 HydrophobicContact CD1-CB 3.9Å; L198-L220 HydrophobicContact CD1-CD1 4.31Å; L198-I221 HydrophobicContact CB-CD1 4.47Å; L198-I221 HydrophobicContact CD1-CD1 4.03Å; L198-I221 HydrophobicContact CD1-CG1 4.22Å
199	K	93.6	Very high	91.8	Very high	76 Å²	76	41.7 Å²	41.7	33%	0.33	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	157	-179.3	-76.9	166.8	174	-178.3	0	110.9	M191 V192 E193 F215	M191-K199 HydrophobicContact CE-CB 4.25Å; M191-K199 HydrophobicContact CE-CD 3.62Å; M191-K199 HydrophobicContact CE-CG 3.97Å; M191-K199 HydrophobicContact SD-CB 3.91Å; M191-K199 HydrophobicContact SD-CD 4.4Å; M191-K199 HydrophobicContact SD-CG 4.28Å; V192-K199 CarbonylContact O-C 3.56Å; V192-K199 WeakPolarHBondContact O-CA 3.33Å; E193-K199 HydrophobicContact CG-CG 4.28Å; E193-K199 WeakPolarHBondContact OE2-CE 3.37Å; E193-K199 IonicContact OE2-NZ 2.98Å; K199-F215 HydrophobicContact CB-CD2 4.3Å; K199-F215 WeakPolarHBondContact O-CB 3.48Å; K199-F215 PolarHBondContact O-N 3.06Å
200	G	93.8	Very high	91.9	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	177.9	176.4	0	0	0	0	0	112.3	M191 V192 V213	M191-G200 WeakPolarHBondContact CA-O 3.33Å; V192-G200 PolarHBondContact N-O 3.24Å; V192-G200 PolarHBondContact O-N 3.09Å; G200-V213 CarbonylContact C-O 3.35Å; G200-V213 WeakPolarHBondContact CA-O 3.2Å
201	M	94.3	Very high	91.9	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.9	178.5	171.2	-178.2	54.9	0	0	110.6	E189 E190 L203 V212 V213 F215 V234 Y383	E189-M201 HydrophobicContact CB-SD 4.4Å; E190-M201 WeakPolarHBondContact O-CA 3.27Å; M201-L203 HydrophobicContact CE-CD1 3.87Å; M201-L203 HydrophobicContact CE-CD2 3.76Å; M201-L203 HydrophobicContact CE-CG 3.86Å; M201-L203 HydrophobicContact CG-CD2 4.37Å; M201-L203 HydrophobicContact CG-CG 4.39Å; M201-L203 HydrophobicContact SD-CD2 4.07Å; M201-V212 WeakPolarHBondContact O-CA 3.43Å; M201-V213 PolarHBondContact N-O 3.42Å; M201-V213 PolarHBondContact O-N 3.19Å; M201-F215 HydrophobicContact CB-CE2 3.7Å; M201-F215 HydrophobicContact CB-CZ 3.54Å; M201-F215 HydrophobicContact CE-CZ 4.11Å; M201-F215 HydrophobicContact SD-CZ 4.45Å; M201-V234 HydrophobicContact CB-CG2 4.17Å; M201-V234 HydrophobicContact CG-CG2 3.88Å; M201-V234 HydrophobicContact SD-CG2 3.72Å; M201-Y383 HydrophobicContact CE-CD1 4.48Å; M201-Y383 HydrophobicContact CE-CE1 4.03Å
202	S	93.5	Very high	91.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	127.5	170.1	54.2	0	0	0	0	111	Q187 E189 E190	Q187-S202 PolarHBondContact O-OG 3.05Å; E189-S202 WeakPolarHBondContact CA-O 3.49Å; E189-S202 PolarHBondContact N-O 3.36Å; E190-S202 PolarHBondContact N-OG 2.77Å; E190-S202 PolarHBondContact O-N 3.36Å; E190-S202 PolarHBondContact O-OG 3.34Å
203	L	89.4	Confident	91.9	Very high	25 Å²	25	39.1 Å²	39.1	13%	0.131	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-32.9	178.2	-77.5	-176.5	0	0	0	114.9	M201 G211 V213 M420 L424 R426	M201-L203 HydrophobicContact CE-CD1 3.87Å; M201-L203 HydrophobicContact CE-CD2 3.76Å; M201-L203 HydrophobicContact CE-CG 3.86Å; M201-L203 HydrophobicContact CG-CD2 4.37Å; M201-L203 HydrophobicContact CG-CG 4.39Å; M201-L203 HydrophobicContact SD-CD2 4.07Å; L203-G211 PolarHBondContact N-O 3.01Å; L203-V213 HydrophobicContact CD1-CB 4.2Å; L203-V213 HydrophobicContact CD1-CG2 3.86Å; L203-M420 HydrophobicContact CD1-CE 3.56Å; L203-L424 HydrophobicContact CB-CD1 3.94Å; L203-L424 HydrophobicContact CD1-CD1 4.07Å; L203-R426 PolarHBondContact O-NH2 2.68Å
204	N	90.1	Very high	91.8	Very high	24 Å²	24	35.5 Å²	35.5	13%	0.128	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.6	167.2	-75.6	14.3	0	0	0	108.2	E206 G211 R426	N204-E206 HydrophobicContact CB-CG 4.28Å; N204-E206 PolarHBondContact ND2-OE1 3.33Å; N204-G211 PolarHBondContact N-O 2.95Å; N204-G211 PolarHBondContact O-N 3.46Å; N204-R426 PolarHBondContact OD1-NE 2.85Å; N204-R426 PolarHBondContact OD1-NH2 2.65Å
205	L	92.3	Very high	91.7	Very high	92 Å²	92	35.8 Å²	35.8	48%	0.482	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	104.5	165.9	-52.6	-177.6	0	0	0	106.1	V186 A188 V210	V186-L205 HydrophobicContact CG1-CD2 3.87Å; A188-L205 HydrophobicContact CB-CD1 4.26Å; L205-V210 HydrophobicContact CD2-CG1 4Å; L205-V210 HydrophobicContact CD2-CG2 4.4Å
206	E	89.6	Confident	91.6	Very high	63 Å²	63	33.7 Å²	33.7	29%	0.294	20%	0.203	S	C	.	.			trans	-103.4	157	179.6	-61.4	169.9	-164	0	0	108.5	R179 N204 D208 N209	R179-E206 IonicContact NH2-OE2 2.74Å; N204-E206 HydrophobicContact CB-CG 4.28Å; N204-E206 PolarHBondContact ND2-OE1 3.33Å; E206-D208 PolarHBondContact O-N 2.83Å; E206-D208 VanDerWaalsContact O-N 3.08Å; E206-N209 CarbonylContact C-O 3.58Å; E206-N209 WeakPolarHBondContact CA-O 3.24Å; E206-N209 VanDerWaalsContact CB-O 3.31Å; E206-N209 WeakPolarHBondContact CB-O 3.22Å; E206-N209 PolarHBondContact N-O 2.87Å; E206-N209 PolarHBondContact O-N 3.24Å; E206-N209 VanDerWaalsContact O-O 3.09Å; E206-N209 PolarHBondContact OE2-ND2 2.94Å
207	P	86.7	Confident	91.5	Very high	145 Å²	145	35.1 Å²	35.1	94%	0.942	21%	0.206	S	C	*	.	S	Bend	trans	-63.9	-18.4	-171.2	-24.2	35.4	0	0	0	115.2
208	D	86.2	Confident	91.5	Very high	90 Å²	90	34.8 Å²	34.8	48%	0.481	19%	0.194	S	C	.	.	S	Bend	trans	-118.4	-19.7	-177.7	62.2	-14.3	0	0	0	113.8	Y181 E206	Y181-D208 VanDerWaalsContact CD2-O 3.25Å; Y181-D208 WeakPolarHBondContact CD2-O 3.42Å; E206-D208 PolarHBondContact O-N 2.83Å; E206-D208 VanDerWaalsContact O-N 3.08Å
209	N	90.4	Very high	91.4	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.048	22%	0.222	C	C	.	.			trans	-151.1	157.4	-174.5	82.7	103.9	0	0	0	113.4	L171 V180 E206	L171-N209 HydrophobicContact CD1-CB 4.32Å; V180-N209 CarbonylContact O-C 3.51Å; V180-N209 WeakPolarHBondContact O-CA 3.44Å; E206-N209 CarbonylContact C-O 3.58Å; E206-N209 WeakPolarHBondContact CA-O 3.24Å; E206-N209 VanDerWaalsContact CB-O 3.31Å; E206-N209 WeakPolarHBondContact CB-O 3.22Å; E206-N209 PolarHBondContact N-O 2.87Å; E206-N209 PolarHBondContact O-N 3.24Å; E206-N209 VanDerWaalsContact O-O 3.09Å; E206-N209 PolarHBondContact OE2-ND2 2.94Å
210	V	93.1	Very high	91.3	Very high	10 Å²	10	42.6 Å²	42.6	6%	0.061	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.7	173.9	-179.8	0	0	0	0	109.4	V180 L183 V186 L205 V212	V180-V210 PolarHBondContact N-O 3.32Å; V180-V210 PolarHBondContact O-N 2.91Å; L183-V210 HydrophobicContact CB-CG2 4.31Å; V186-V210 HydrophobicContact CG1-CG1 4.12Å; V186-V210 HydrophobicContact CG1-CG2 3.93Å; L205-V210 HydrophobicContact CD2-CG1 4Å; L205-V210 HydrophobicContact CD2-CG2 4.4Å; V210-V212 HydrophobicContact CG1-CG2 3.83Å; V210-V212 PolarHBondContact O-N 3.46Å
211	G	93.4	Very high	91.3	Very high	3 Å²	3	43 Å²	43	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	99.8	171	0	0	0	0	0	110.5	L203 N204	L203-G211 PolarHBondContact N-O 3.01Å; N204-G211 PolarHBondContact N-O 2.95Å; N204-G211 PolarHBondContact O-N 3.46Å
212	V	94.1	Very high	91.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.9	177.5	176.7	0	0	0	0	109.7	A178 V180 V192 F194 M201 V210	A178-V212 HydrophobicContact CB-CB 4.41Å; A178-V212 PolarHBondContact N-O 3.3Å; A178-V212 PolarHBondContact O-N 2.96Å; A178-V212 VanDerWaalsContact O-O 3.06Å; V180-V212 HydrophobicContact CB-CG2 4.41Å; V180-V212 HydrophobicContact CG2-CB 4.17Å; V180-V212 HydrophobicContact CG2-CG2 3.72Å; V192-V212 HydrophobicContact CG2-CB 4.42Å; V192-V212 HydrophobicContact CG2-CG1 3.41Å; V192-V212 VanDerWaalsContact CG2-CG1 3.41Å; V192-V212 HydrophobicContact CG2-CG2 4.09Å; F194-V212 HydrophobicContact CE2-CG1 4.03Å; F194-V212 HydrophobicContact CZ-CB 4.45Å; F194-V212 HydrophobicContact CZ-CG1 3.69Å; M201-V212 WeakPolarHBondContact O-CA 3.43Å; V210-V212 HydrophobicContact CG1-CG2 3.83Å; V210-V212 PolarHBondContact O-N 3.46Å
213	V	93.6	Very high	91.2	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.7	177.2	173.2	0	0	0	0	110.1	I177 G200 M201 L203 P380 M420 L424	I177-V213 HydrophobicContact CD1-CG2 3.92Å; I177-V213 HydrophobicContact CG1-CG2 4.08Å; I177-V213 HydrophobicContact CG2-CG2 4.43Å; G200-V213 CarbonylContact C-O 3.35Å; G200-V213 WeakPolarHBondContact CA-O 3.2Å; M201-V213 PolarHBondContact N-O 3.42Å; M201-V213 PolarHBondContact O-N 3.19Å; L203-V213 HydrophobicContact CD1-CB 4.2Å; L203-V213 HydrophobicContact CD1-CG2 3.86Å; V213-P380 HydrophobicContact CG1-CB 3.55Å; V213-P380 HydrophobicContact CG1-CG 3.08Å; V213-M420 HydrophobicContact CG1-CE 4.31Å; V213-L424 HydrophobicContact CG2-CD1 4.28Å; V213-L424 HydrophobicContact CG2-CD2 4.17Å; V213-L424 HydrophobicContact CG2-CG 4.42Å
214	V	94.1	Very high	91.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.1	-165.1	-175.1	0	0	0	0	112.2	I173 G176 A178 F194 L198 G216 I221	I173-V214 HydrophobicContact CD1-CG2 3.95Å; G176-V214 WeakPolarHBondContact O-CB 3.41Å; G176-V214 PolarHBondContact O-N 3.18Å; A178-V214 HydrophobicContact CB-CG2 4.4Å; F194-V214 HydrophobicContact CE2-CG2 4.06Å; F194-V214 HydrophobicContact CZ-CG2 3.92Å; L198-V214 HydrophobicContact CD1-CG1 4.28Å; V214-G216 VanDerWaalsContact C-N 3.33Å; V214-G216 PolarHBondContact O-N 3.03Å; V214-I221 HydrophobicContact CB-CD1 4.48Å; V214-I221 HydrophobicContact CG1-CD1 3.71Å; V214-I221 HydrophobicContact CG2-CD1 3.86Å
215	F	91.8	Very high	91.3	Very high	14 Å²	14	58.3 Å²	58.3	6%	0.061	31%	0.314	C	S	.	.	S	Bend	trans	-91	54.6	175.4	-63	-52.1	0	0	0	111.9	M191 K199 M201 L250 P380 L381 L384	M191-F215 HydrophobicContact SD-CD2 4.26Å; M191-F215 HydrophobicContact SD-CE2 4.11Å; K199-F215 HydrophobicContact CB-CD2 4.3Å; K199-F215 WeakPolarHBondContact O-CB 3.48Å; K199-F215 PolarHBondContact O-N 3.06Å; M201-F215 HydrophobicContact CB-CE2 3.7Å; M201-F215 HydrophobicContact CB-CZ 3.54Å; M201-F215 HydrophobicContact CE-CZ 4.11Å; M201-F215 HydrophobicContact SD-CZ 4.45Å; F215-L250 HydrophobicContact CB-CD1 4.3Å; F215-L250 HydrophobicContact CD2-CD2 4.1Å; F215-L250 HydrophobicContact CE2-CD2 4.17Å; F215-L250 HydrophobicContact CG-CD2 4.43Å; F215-P380 HydrophobicContact CD1-CB 3.84Å; F215-P380 HydrophobicContact CE1-CB 3.84Å; F215-L381 HydrophobicContact CB-CD2 4.01Å; F215-L381 HydrophobicContact CB-CG 4.43Å; F215-L381 HydrophobicContact CD1-CD2 3.8Å; F215-L381 HydrophobicContact CD1-CG 4.15Å; F215-L381 HydrophobicContact CG-CD2 4.18Å; F215-L384 HydrophobicContact CE1-CD2 3.9Å; F215-L384 HydrophobicContact CZ-CD2 3.91Å
216	G	89.9	Confident	91.3	Very high	26 Å²	26	58.1 Å²	58.1	27%	0.268	31%	0.312	S	S	.	.	S	Bend	trans	175.4	-154.4	-176.4	0	0	0	0	0	115.1	V214	V214-G216 VanDerWaalsContact C-N 3.33Å; V214-G216 PolarHBondContact O-N 3.03Å
217	N	89.9	Confident	91.6	Very high	82 Å²	82	55.1 Å²	55.1	44%	0.439	30%	0.298	S	S	.	.			trans	-91	107.6	176.8	177.4	21.7	0	0	0	109.6	L198 K219 L220	L198-N217 VanDerWaalsContact CD1-O 3.25Å; L198-N217 WeakPolarHBondContact CD1-O 3.46Å; N217-K219 PolarHBondContact O-N 3.49Å; N217-K219 VanDerWaalsContact O-N 3.14Å; N217-K219 WeakPolarHBondContact OD1-CG 3.45Å; N217-L220 PolarHBondContact O-N 3.27Å
218	D	88.5	Confident	91.9	Very high	37 Å²	37	54.3 Å²	54.3	20%	0.198	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-58.1	-25.2	-176.6	55.1	-0.5	0	0	0	114.6	I173 D175 G176 L220 I221	I173-D218 HydrophobicContact CD1-CB 3.84Å; I173-D218 HydrophobicContact CG1-CB 3.95Å; D175-D218 PolarHBondContact N-OD2 2.94Å; G176-D218 PolarHBondContact N-OD2 2.84Å; D218-L220 PolarHBondContact O-N 2.96Å; D218-I221 PolarHBondContact O-N 2.97Å
219	K	90.8	Very high	92.3	Very high	172 Å²	172	52 Å²	52	75%	0.748	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-59.7	-9.1	176	-58.3	179.6	-177.4	-179.1	0	115.4	N217	N217-K219 PolarHBondContact O-N 3.49Å; N217-K219 VanDerWaalsContact O-N 3.14Å; N217-K219 WeakPolarHBondContact OD1-CG 3.45Å
220	L	92.4	Very high	92.3	Very high	99 Å²	99	54.3 Å²	54.3	52%	0.518	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-95.2	4.2	174.1	-56.8	179.7	0	0	0	113.1	S196 L198 N217 D218	S196-L220 WeakPolarHBondContact CB-O 3.33Å; S196-L220 PolarHBondContact OG-O 3.35Å; S196-L220 VanDerWaalsContact OG-O 3.09Å; L198-L220 HydrophobicContact CD1-CB 3.9Å; L198-L220 HydrophobicContact CD1-CD1 4.31Å; N217-L220 PolarHBondContact O-N 3.27Å; D218-L220 PolarHBondContact O-N 2.96Å
221	I	93.6	Very high	92.1	Very high	7 Å²	7	56.5 Å²	56.5	4%	0.036	30%	0.303	C	S	.	.			trans	-119.1	145.3	176.6	-62.6	159.6	0	0	0	108	V170 I173 F194 L198 V214 D218	V170-I221 HydrophobicContact CG1-CG2 4.31Å; V170-I221 HydrophobicContact CG2-CG2 3.92Å; I173-I221 HydrophobicContact CB-CG2 4.3Å; I173-I221 HydrophobicContact CD1-CB 4.5Å; I173-I221 HydrophobicContact CD1-CD1 4.45Å; I173-I221 HydrophobicContact CD1-CG2 4.41Å; I173-I221 HydrophobicContact CG1-CB 4.25Å; I173-I221 HydrophobicContact CG1-CG2 4.22Å; I173-I221 HydrophobicContact CG2-CG2 4.41Å; F194-I221 HydrophobicContact CB-CD1 4.41Å; F194-I221 HydrophobicContact CB-CG1 4.23Å; F194-I221 HydrophobicContact CD1-CD1 3.71Å; F194-I221 HydrophobicContact CD1-CG1 3.9Å; F194-I221 HydrophobicContact CD1-CG2 3.86Å; F194-I221 HydrophobicContact CD2-CD1 3.82Å; F194-I221 HydrophobicContact CE1-CD1 3.83Å; F194-I221 HydrophobicContact CE1-CG1 4.41Å; F194-I221 HydrophobicContact CE1-CG2 4.05Å; F194-I221 HydrophobicContact CE2-CD1 3.93Å; F194-I221 HydrophobicContact CG-CD1 3.72Å; F194-I221 HydrophobicContact CG-CG1 3.98Å; F194-I221 HydrophobicContact CZ-CD1 3.94Å; L198-I221 HydrophobicContact CB-CD1 4.47Å; L198-I221 HydrophobicContact CD1-CD1 4.03Å; L198-I221 HydrophobicContact CD1-CG1 4.22Å; V214-I221 HydrophobicContact CB-CD1 4.48Å; V214-I221 HydrophobicContact CG1-CD1 3.71Å; V214-I221 HydrophobicContact CG2-CD1 3.86Å; D218-I221 PolarHBondContact O-N 2.97Å
222	K	93.4	Very high	91.9	Very high	151 Å²	151	57.9 Å²	57.9	66%	0.657	32%	0.315	S	S	*	.			trans	-130.5	164.6	179.2	-61.6	-179.9	-176.7	175.5	0	110.9	V170 D225	V170-K222 WeakPolarHBondContact CB-O 3.02Å; V170-K222 WeakPolarHBondContact CG1-O 3.49Å; K222-D225 PolarHBondContact N-OD2 3.45Å; K222-D225 WeakPolarHBondContact O-CB 3.34Å; K222-D225 PolarHBondContact O-N 3.31Å
223	E	92.1	Very high	91.9	Very high	142 Å²	142	59.5 Å²	59.5	66%	0.664	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	141.5	163.5	-173.4	177.1	165.7	0	0	110.3	D225	E223-D225 VanDerWaalsContact C-N 3.28Å; E223-D225 PolarHBondContact O-N 3.06Å
224	G	88.6	Confident	91.8	Very high	44 Å²	44	59.5 Å²	59.5	45%	0.454	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-11	-174.7	0	0	0	0	0	115.6	V170	V170-G224 PolarHBondContact O-N 3.4Å
225	D	92.9	Very high	91.8	Very high	38 Å²	38	61.3 Å²	61.3	20%	0.203	33%	0.333	C	S	.	.			trans	-60.2	138.8	179.1	-94.5	-41.8	0	0	0	112.1	R169 V170 S195 K222 E223	R169-D225 CarbonylContact C-O 3.57Å; R169-D225 WeakPolarHBondContact CA-O 3.45Å; V170-D225 HydrophobicContact CB-CB 4.47Å; V170-D225 HydrophobicContact CG2-CB 4.08Å; V170-D225 PolarHBondContact N-O 3.34Å; S195-D225 PolarHBondContact OG-OD1 3.22Å; K222-D225 PolarHBondContact N-OD2 3.45Å; K222-D225 WeakPolarHBondContact O-CB 3.34Å; K222-D225 PolarHBondContact O-N 3.31Å; E223-D225 VanDerWaalsContact C-N 3.28Å; E223-D225 PolarHBondContact O-N 3.06Å
226	I	92.4	Very high	91.9	Very high	88 Å²	88	60.7 Å²	60.7	45%	0.451	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	131.6	177	-59	175.5	0	0	0	109.5	G168 S195 K228	G168-I226 CarbonylContact O-C 3.54Å; G168-I226 WeakPolarHBondContact O-CA 3.45Å; S195-I226 PolarHBondContact N-O 3.31Å; I226-K228 HydrophobicContact CG2-CG 4.24Å
227	V	94.9	Very high	92.2	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.4	171.5	-169.9	0	0	0	0	108.3	T167 G168 V170 V180 L183 V192 F194	T167-V227 CarbonylContact C-O 3.57Å; T167-V227 WeakPolarHBondContact CA-O 3.26Å; G168-V227 PolarHBondContact N-O 2.96Å; G168-V227 PolarHBondContact O-N 3.23Å; V170-V227 HydrophobicContact CG2-CG2 3.61Å; V180-V227 HydrophobicContact CG1-CB 3.96Å; V180-V227 HydrophobicContact CG1-CG2 3.86Å; V180-V227 HydrophobicContact CG2-CG2 3.92Å; L183-V227 HydrophobicContact CD1-CB 4.41Å; L183-V227 HydrophobicContact CD1-CG1 4.05Å; V192-V227 HydrophobicContact CB-CG1 3.87Å; V192-V227 HydrophobicContact CG2-CG1 3.91Å; F194-V227 HydrophobicContact CD1-CG2 3.63Å; F194-V227 HydrophobicContact CE1-CG1 4.5Å; F194-V227 HydrophobicContact CE1-CG2 3.7Å
228	K	94.4	Very high	92.5	Very high	127 Å²	127	56.1 Å²	56.1	55%	0.552	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.7	175.9	-60.1	-171.1	177.2	-175.2	0	109.6	T167 V192 E193 I226	T167-K228 HydrophobicContact CG2-CG 4.14Å; V192-K228 CarbonylContact C-O 3.55Å; V192-K228 WeakPolarHBondContact CA-O 2.91Å; V192-K228 WeakPolarHBondContact CB-O 3.46Å; E193-K228 PolarHBondContact N-O 3.12Å; E193-K228 PolarHBondContact O-N 3.21Å; I226-K228 HydrophobicContact CG2-CG 4.24Å
229	R	93.3	Very high	92.9	Very high	43 Å²	43	54.4 Å²	54.4	16%	0.162	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	156.3	171.3	68.4	-176.8	-76.1	-138.6	18.5	111.7	E166 L183 N185 V186 E190 V192	E166-R229 VanDerWaalsContact CD-NH1 3.33Å; E166-R229 WeakPolarHBondContact O-CG 3.23Å; E166-R229 PolarHBondContact O-N 3.48Å; E166-R229 IonicContact OE1-CZ 3.54Å; E166-R229 IonicContact OE1-NH1 2.7Å; E166-R229 PolarHBondContact OE1-NH1 2.93Å; E166-R229 WeakPolarHBondContact OE2-CD 3.23Å; E166-R229 IonicContact OE2-CZ 3.26Å; E166-R229 IonicContact OE2-NE 3.16Å; E166-R229 IonicContact OE2-NH1 3.55Å; E166-R229 PolarHBondContact OE2-NH1 3.12Å; L183-R229 HydrophobicContact CD2-CB 4.3Å; N185-R229 VanDerWaalsContact CB-NH1 3.35Å; N185-R229 PolarHBondContact O-NH1 3.27Å; N185-R229 PolarHBondContact O-NH2 3.5Å; V186-R229 HydrophobicContact CG2-CB 4.34Å; E190-R229 WeakPolarHBondContact OE1-CB 3.27Å; E190-R229 IonicContact OE1-CZ 2.69Å; E190-R229 IonicContact OE1-NE 2.72Å; E190-R229 PolarHBondContact OE1-NE 3.24Å; E190-R229 IonicContact OE1-NH2 3.16Å; E190-R229 PolarHBondContact OE1-NH2 3.42Å; E190-R229 IonicContact OE2-CZ 3.83Å; E190-R229 IonicContact OE2-NE 3.35Å; E190-R229 PolarHBondContact OE2-NE 3.41Å; E190-R229 IonicContact OE2-NH2 3.83Å; E190-R229 PolarHBondContact OE2-NH2 3.08Å; V192-R229 HydrophobicContact CG1-CB 4.42Å
230	T	90.7	Very high	93	Very high	56 Å²	56	49.9 Å²	49.9	34%	0.344	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-9.1	179.3	63.6	0	0	0	0	113.6	M191 A232	M191-T230 HydrophobicContact CB-CG2 4.08Å; M191-T230 WeakPolarHBondContact CB-OG1 3.19Å; M191-T230 HydrophobicContact CE-CG2 4.38Å; M191-T230 WeakPolarHBondContact O-CB 3.35Å; M191-T230 WeakPolarHBondContact O-CG2 3.34Å; M191-T230 PolarHBondContact O-N 3.18Å; M191-T230 PolarHBondContact O-OG1 3.07Å; T230-A232 PolarHBondContact O-N 3.37Å; T230-A232 PolarHBondContact OG1-N 3.23Å
231	G	90.3	Very high	93.2	Very high	56 Å²	56	49.1 Å²	49.1	58%	0.577	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	73.6	5.9	-174.3	0	0	0	0	0	113.9	E190	E190-G231 VanDerWaalsContact OE1-CA 3.26Å; E190-G231 WeakPolarHBondContact OE1-CA 3.36Å; E190-G231 PolarHBondContact OE1-N 3.27Å
232	A	88.9	Confident	93.3	Very high	33 Å²	33	48.8 Å²	48.8	27%	0.273	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	126.9	-173.3	0	0	0	0	0	112.7	E190 M191 T230	E190-A232 VanDerWaalsContact CG-O 3.3Å; E190-A232 WeakPolarHBondContact CG-O 3.35Å; M191-A232 PolarHBondContact N-O 2.95Å; T230-A232 PolarHBondContact O-N 3.37Å; T230-A232 PolarHBondContact OG1-N 3.23Å
233	I	92.8	Very high	93.4	Very high	33 Å²	33	43.3 Å²	43.3	17%	0.169	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	136.5	160.9	-66	175.5	0	0	0	108.6	E189 D235 R267	E189-I233 HydrophobicContact CB-CG2 4.38Å; E189-I233 WeakPolarHBondContact O-CA 3.42Å; I233-D235 PolarHBondContact O-N 3.08Å; I233-R267 HydrophobicContact CB-CG 4.44Å; I233-R267 HydrophobicContact CG2-CG 4.39Å
234	V	91.9	Very high	93.6	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	22%	0.217	C	C	.	.	S	Bend	trans	-42.7	121.8	-173.8	-178.7	0	0	0	0	111.4	E189 M191 M201 R267 V268 L384	E189-V234 PolarHBondContact O-N 2.77Å; M191-V234 HydrophobicContact CG-CB 4.48Å; M191-V234 HydrophobicContact CG-CG2 3.87Å; M201-V234 HydrophobicContact CB-CG2 4.17Å; M201-V234 HydrophobicContact CG-CG2 3.88Å; M201-V234 HydrophobicContact SD-CG2 3.72Å; V234-R267 CarbonylContact O-C 3.6Å; V234-R267 WeakPolarHBondContact O-CA 3.47Å; V234-V268 HydrophobicContact CB-CG2 3.81Å; V234-V268 HydrophobicContact CG1-CB 4.49Å; V234-V268 HydrophobicContact CG1-CG1 3.91Å; V234-V268 HydrophobicContact CG1-CG2 3.78Å; V234-V268 WeakPolarHBondContact O-CG2 3.22Å; V234-V268 PolarHBondContact O-N 3.28Å; V234-L384 HydrophobicContact CG1-CD1 4.06Å; V234-L384 HydrophobicContact CG1-CD2 4.1Å
235	D	93.5	Very high	94	Very high	39 Å²	39	36.4 Å²	36.4	21%	0.209	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	163.1	-179.7	76.7	-15.1	0	0	0	111.6	I233 R265 R266 R267	I233-D235 PolarHBondContact O-N 3.08Å; D235-R265 PolarHBondContact O-NH2 2.81Å; D235-R265 IonicContact OD1-CZ 2.8Å; D235-R265 VanDerWaalsContact OD1-CZ 3.22Å; D235-R265 IonicContact OD1-NE 3.23Å; D235-R265 PolarHBondContact OD1-NE 3.43Å; D235-R265 IonicContact OD1-NH2 3.56Å; D235-R265 PolarHBondContact OD1-NH2 2.59Å; D235-R265 WeakPolarHBondContact OD2-CB 3.41Å; D235-R265 WeakPolarHBondContact OD2-CD 3.33Å; D235-R265 IonicContact OD2-CZ 3.41Å; D235-R265 IonicContact OD2-NE 3.05Å; D235-R265 PolarHBondContact OD2-NE 3.43Å; D235-R266 CarbonylContact C-O 3.41Å; D235-R266 VanDerWaalsContact CA-O 3.28Å; D235-R266 WeakPolarHBondContact CA-O 3.39Å; D235-R266 WeakPolarHBondContact CB-O 3.24Å; D235-R267 HydrophobicContact CB-CG 4.48Å
236	V	95.3	Very high	94.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	150.5	179.9	-67.5	0	0	0	0	111	V238 R265 R266 V268 M392	V236-V238 HydrophobicContact CG2-CG1 4.38Å; V236-R265 CarbonylContact O-C 3.53Å; V236-R265 VanDerWaalsContact O-CA 3.25Å; V236-R265 WeakPolarHBondContact O-CA 3.44Å; V236-R266 PolarHBondContact N-O 3.34Å; V236-R266 PolarHBondContact O-N 3.19Å; V236-V268 HydrophobicContact CG1-CG1 3.82Å; V236-V268 HydrophobicContact CG2-CG1 4.2Å; V236-M392 HydrophobicContact CB-CE 4.16Å; V236-M392 HydrophobicContact CG2-CE 4.22Å
237	P	96.1	Very high	94.5	Very high	11 Å²	11	31.1 Å²	31.1	7%	0.071	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	140.2	170	28.1	-34.3	0	0	0	110.5	G251 L260 V264	P237-G251 WeakPolarHBondContact CG-O 3.31Å; P237-L260 HydrophobicContact CB-CD1 4.46Å; P237-L260 HydrophobicContact CG-CD1 3.94Å; P237-V264 WeakPolarHBondContact CA-O 3.02Å
238	V	96.6	Very high	94.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	154.9	176.5	-59.9	0	0	0	0	110.1	V236 S262 V264 R266 M392 Y395	V236-V238 HydrophobicContact CG2-CG1 4.38Å; V238-S262 PolarHBondContact N-OG 3.35Å; V238-S262 PolarHBondContact O-OG 3.09Å; V238-V264 HydrophobicContact CG2-CB 4.2Å; V238-V264 HydrophobicContact CG2-CG1 3.84Å; V238-V264 PolarHBondContact N-O 3.19Å; V238-R266 HydrophobicContact CG1-CB 4.11Å; V238-R266 HydrophobicContact CG1-CG 4.42Å; V238-R266 HydrophobicContact CG2-CB 4.25Å; V238-R266 HydrophobicContact CG2-CG 3.74Å; V238-M392 HydrophobicContact CG1-CG 4.2Å; V238-Y395 HydrophobicContact CB-CD2 4.21Å; V238-Y395 HydrophobicContact CB-CG 4.31Å; V238-Y395 HydrophobicContact CG2-CD2 3.8Å; V238-Y395 HydrophobicContact CG2-CG 4.37Å
239	G	95.1	Very high	94.6	Very high	2 Å²	2	26.7 Å²	26.7	2%	0.021	16%	0.156	C	C	.	.	S	Bend	trans	146	179.4	-176.2	0	0	0	0	0	112.6	E241	G239-E241 VanDerWaalsContact C-N 3.29Å; G239-E241 VanDerWaalsContact CA-OE2 3.3Å; G239-E241 WeakPolarHBondContact CA-OE2 3.32Å
240	E	94.8	Very high	94.6	Very high	76 Å²	76	25.7 Å²	25.7	36%	0.355	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-80.7	-15.2	177.1	-52.2	-160.4	176.1	0	0	111.5	L242 L243 Y395 F396 K401	E240-L242 PolarHBondContact O-N 2.99Å; E240-L242 VanDerWaalsContact O-N 3.15Å; E240-L243 HydrophobicContact CB-CD1 4.09Å; E240-L243 WeakPolarHBondContact O-CB 3.5Å; E240-L243 VanDerWaalsContact O-CG 3.27Å; E240-L243 WeakPolarHBondContact O-CG 3.34Å; E240-L243 PolarHBondContact O-N 2.88Å; E240-Y395 HydrophobicContact CG-CE1 3.94Å; E240-F396 HydrophobicContact CG-CE1 4.1Å; E240-K401 WeakPolarHBondContact OE1-CE 3.22Å; E240-K401 IonicContact OE1-NZ 3.71Å; E240-K401 PolarHBondContact OE1-NZ 2.73Å; E240-K401 IonicContact OE2-NZ 2.63Å
241	E	94.7	Very high	94.7	Very high	83 Å²	83	23.1 Å²	23.1	39%	0.388	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-68.1	-8.5	176.3	-49.7	91.7	148.5	0	0	113.7	G239 R245	G239-E241 VanDerWaalsContact C-N 3.29Å; G239-E241 VanDerWaalsContact CA-OE2 3.3Å; G239-E241 WeakPolarHBondContact CA-OE2 3.32Å; E241-R245 WeakPolarHBondContact O-CG 3.4Å
242	L	96.3	Very high	94.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-89.7	-11.2	172.8	-68.7	91.8	0	0	0	113	E240 G244 R245 V247 L260 I369 M392	E240-L242 PolarHBondContact O-N 2.99Å; E240-L242 VanDerWaalsContact O-N 3.15Å; L242-G244 PolarHBondContact O-N 2.91Å; L242-R245 VanDerWaalsContact O-CB 3.27Å; L242-R245 WeakPolarHBondContact O-CB 3.44Å; L242-R245 PolarHBondContact O-N 3.11Å; L242-R245 VanDerWaalsContact O-N 3.1Å; L242-V247 HydrophobicContact CD2-CG1 4.46Å; L242-L260 HydrophobicContact CD2-CD1 4.27Å; L242-L260 HydrophobicContact CG-CD1 4.2Å; L242-I369 HydrophobicContact CB-CD1 3.78Å; L242-I369 HydrophobicContact CB-CG1 4.14Å; L242-I369 HydrophobicContact CB-CG2 4.19Å; L242-M392 HydrophobicContact CD2-CE 3.81Å; L242-M392 HydrophobicContact CD2-CG 4.18Å; L242-M392 HydrophobicContact CD2-SD 3.82Å
243	L	96.4	Very high	95.2	Very high	36 Å²	36	24.8 Å²	24.8	19%	0.188	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	133.5	178.1	-61.4	173.7	0	0	0	110.2	E240 R245 Y339 I369 F396	E240-L243 HydrophobicContact CB-CD1 4.09Å; E240-L243 WeakPolarHBondContact O-CB 3.5Å; E240-L243 VanDerWaalsContact O-CG 3.27Å; E240-L243 WeakPolarHBondContact O-CG 3.34Å; E240-L243 PolarHBondContact O-N 2.88Å; L243-R245 PolarHBondContact O-N 2.89Å; L243-Y339 HydrophobicContact CD1-CD1 3.73Å; L243-Y339 HydrophobicContact CD1-CE1 3.61Å; L243-Y339 HydrophobicContact CD2-CD1 3.8Å; L243-Y339 HydrophobicContact CG-CD1 4.45Å; L243-I369 HydrophobicContact CD2-CD1 4.38Å; L243-I369 HydrophobicContact CD2-CG1 3.92Å; L243-F396 HydrophobicContact CD1-CE1 4.48Å; L243-F396 HydrophobicContact CD1-CZ 4.49Å; L243-F396 HydrophobicContact CD2-CE1 4.44Å; L243-F396 HydrophobicContact CD2-CZ 3.86Å; L243-F396 HydrophobicContact CG-CZ 4.29Å
244	G	96.1	Very high	95.3	Very high	12 Å²	12	27.4 Å²	27.4	12%	0.124	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	5.4	-174.3	0	0	0	0	0	114.9	L242 K257 M365 T368	L242-G244 PolarHBondContact O-N 2.91Å; G244-K257 PolarHBondContact O-NZ 2.96Å; G244-M365 WeakPolarHBondContact CA-O 3.46Å; G244-M365 PolarHBondContact N-O 2.84Å; G244-M365 VanDerWaalsContact N-O 3.1Å; G244-T368 PolarHBondContact N-O 3.23Å
245	R	97.3	Very high	95.4	Very high	30 Å²	30	29.1 Å²	29.1	11%	0.113	16%	0.157	C	C	.	.			trans	-101.6	154.3	178.7	-51.3	-56.7	-55.2	-95	-3.4	112.3	E241 L242 L243 V247 D255 K257 G258 P259 L260 V370	E241-R245 WeakPolarHBondContact O-CG 3.4Å; L242-R245 VanDerWaalsContact O-CB 3.27Å; L242-R245 WeakPolarHBondContact O-CB 3.44Å; L242-R245 PolarHBondContact O-N 3.11Å; L242-R245 VanDerWaalsContact O-N 3.1Å; L243-R245 PolarHBondContact O-N 2.89Å; R245-V247 HydrophobicContact CB-CG1 4.49Å; R245-D255 VanDerWaalsContact CA-OD2 3.24Å; R245-D255 WeakPolarHBondContact CA-OD2 3.44Å; R245-D255 IonicContact CZ-OD1 2.75Å; R245-D255 IonicContact CZ-OD2 3.34Å; R245-D255 IonicContact NE-OD1 3.11Å; R245-D255 IonicContact NE-OD2 3.56Å; R245-D255 PolarHBondContact NE-OD2 2.97Å; R245-D255 IonicContact NH2-OD1 2.71Å; R245-D255 PolarHBondContact NH2-OD1 3.23Å; R245-D255 IonicContact NH2-OD2 3.19Å; R245-K257 PolarHBondContact NH2-O 2.96Å; R245-G258 PolarHBondContact NH2-O 2.69Å; R245-P259 PolarHBondContact NH1-O 2.86Å; R245-L260 HydrophobicContact CB-CD2 4.13Å; R245-L260 HydrophobicContact CG-CD2 3.79Å; R245-V370 PolarHBondContact O-N 3.18Å; R245-V370 VanDerWaalsContact O-N 3.16Å
246	V	97.6	Very high	95.3	Very high	14 Å²	14	30.9 Å²	30.9	9%	0.085	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.3	165.4	-166.1	0	0	0	0	108.8	I254 D255 V356 V370	V246-I254 HydrophobicContact CB-CG1 4.2Å; V246-I254 HydrophobicContact CG1-CD1 4.05Å; V246-I254 HydrophobicContact CG1-CG1 3.84Å; V246-I254 PolarHBondContact O-N 2.91Å; V246-D255 HydrophobicContact CB-CB 3.92Å; V246-D255 HydrophobicContact CG2-CB 3.99Å; V246-D255 PolarHBondContact N-OD2 3.49Å; V246-V356 HydrophobicContact CG2-CG1 4.07Å; V246-V356 HydrophobicContact CG2-CG2 3.87Å; V246-V370 CarbonylContact C-O 3.56Å; V246-V370 WeakPolarHBondContact CA-O 3.5Å; V246-V370 HydrophobicContact CG1-CB 4.11Å; V246-V370 HydrophobicContact CG1-CG1 4.03Å; V246-V370 HydrophobicContact CG2-CB 4.3Å
247	V	97.5	Very high	95.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	156.1	-175.7	-59.9	0	0	0	0	112.4	L242 R245 N252 L260 I369 V370 V371 S372 M392	L242-V247 HydrophobicContact CD2-CG1 4.46Å; R245-V247 HydrophobicContact CB-CG1 4.49Å; V247-N252 CarbonylContact C-O 3.38Å; V247-N252 WeakPolarHBondContact CA-O 3.17Å; V247-N252 WeakPolarHBondContact CB-O 3.35Å; V247-L260 HydrophobicContact CG1-CD1 4.02Å; V247-L260 HydrophobicContact CG1-CD2 4.37Å; V247-I369 HydrophobicContact CG2-CG2 4.46Å; V247-V370 PolarHBondContact N-O 3.17Å; V247-V371 HydrophobicContact CG2-CB 4.4Å; V247-V371 HydrophobicContact CG2-CG2 3.91Å; V247-V371 CarbonylContact O-C 3.35Å; V247-V371 WeakPolarHBondContact O-CA 3.32Å; V247-S372 PolarHBondContact O-N 3.47Å; V247-M392 HydrophobicContact CG2-CE 4.02Å; V247-M392 HydrophobicContact CG2-SD 4.25Å
248	D	95.9	Very high	95	Very high	33 Å²	33	38.5 Å²	38.5	18%	0.176	23%	0.228	C	C	.	.			trans	-80.2	-175.7	170.9	74.3	10.2	0	0	0	112.5	L250 G251 N252 I254	D248-L250 PolarHBondContact O-N 3.45Å; D248-L250 WeakPolarHBondContact OD1-CA 3.35Å; D248-L250 PolarHBondContact OD1-N 3.31Å; D248-G251 PolarHBondContact O-N 3.06Å; D248-G251 VanDerWaalsContact O-N 3.14Å; D248-G251 PolarHBondContact OD1-N 3.21Å; D248-N252 PolarHBondContact N-O 3.47Å; D248-N252 PolarHBondContact OD1-N 3.13Å; D248-N252 PolarHBondContact OD1-ND2 3.38Å; D248-N252 WeakPolarHBondContact OD2-CB 3.49Å; D248-N252 PolarHBondContact OD2-ND2 3.2Å; D248-I254 HydrophobicContact CB-CG2 4.1Å
249	A	95.1	Very high	94.7	Very high	1 Å²	1	44 Å²	44	1%	0.008	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.2	179.3	0	0	0	0	0	114.8	L381 L384 A385 S388	A249-L381 HydrophobicContact CB-CB 4.05Å; A249-L381 HydrophobicContact CB-CD2 3.91Å; A249-L381 VanDerWaalsContact CB-O 3.29Å; A249-L381 WeakPolarHBondContact CB-O 3.47Å; A249-L384 HydrophobicContact CB-CB 4.32Å; A249-L384 HydrophobicContact CB-CD2 4.42Å; A249-L384 HydrophobicContact CB-CG 4.4Å; A249-A385 HydrophobicContact CB-CB 3.87Å; A249-S388 VanDerWaalsContact O-CB 3.31Å; A249-S388 WeakPolarHBondContact O-CB 3.33Å; A249-S388 PolarHBondContact O-OG 3.13Å
250	L	93.6	Very high	94.5	Very high	22 Å²	22	45.7 Å²	45.7	12%	0.115	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-3.4	174.1	-60.7	174	0	0	0	111.8	F215 D248 L381 L384	F215-L250 HydrophobicContact CB-CD1 4.3Å; F215-L250 HydrophobicContact CD2-CD2 4.1Å; F215-L250 HydrophobicContact CE2-CD2 4.17Å; F215-L250 HydrophobicContact CG-CD2 4.43Å; D248-L250 PolarHBondContact O-N 3.45Å; D248-L250 WeakPolarHBondContact OD1-CA 3.35Å; D248-L250 PolarHBondContact OD1-N 3.31Å; L250-L381 HydrophobicContact CD1-CD2 4.38Å; L250-L381 HydrophobicContact CG-CD2 4.11Å; L250-L384 HydrophobicContact CD2-CD2 3.69Å
251	G	93.3	Very high	94	Very high	3 Å²	3	44.5 Å²	44.5	3%	0.031	28%	0.28	C	S	.	.			trans	81.8	17.9	-178	0	0	0	0	0	114.5	P237 D248 L260	P237-G251 WeakPolarHBondContact CG-O 3.31Å; D248-G251 PolarHBondContact O-N 3.06Å; D248-G251 VanDerWaalsContact O-N 3.14Å; D248-G251 PolarHBondContact OD1-N 3.21Å; G251-L260 WeakPolarHBondContact O-CD1 3.1Å
252	N	94.1	Very high	93.5	Very high	89 Å²	89	41.7 Å²	41.7	48%	0.476	27%	0.27	S	S	.	.			trans	-74.9	141.8	170.2	-50.9	-61.4	0	0	0	109.7	V247 D248	V247-N252 CarbonylContact C-O 3.38Å; V247-N252 WeakPolarHBondContact CA-O 3.17Å; V247-N252 WeakPolarHBondContact CB-O 3.35Å; D248-N252 PolarHBondContact N-O 3.47Å; D248-N252 PolarHBondContact OD1-N 3.13Å; D248-N252 PolarHBondContact OD1-ND2 3.38Å; D248-N252 WeakPolarHBondContact OD2-CB 3.49Å; D248-N252 PolarHBondContact OD2-ND2 3.2Å
253	A	95.8	Very high	93	Very high	35 Å²	35	50.9 Å²	50.9	29%	0.289	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-72.4	130.3	177.2	0	0	0	0	0	112	L260	A253-L260 HydrophobicContact CB-CD2 4.22Å; A253-L260 HydrophobicContact CB-CG 4.2Å
254	I	95.3	Very high	92.9	Very high	87 Å²	87	52.6 Å²	52.6	45%	0.446	32%	0.322	S	S	.	.			trans	-121.8	8.8	180	64.6	171	0	0	0	113.3	V246 D248	V246-I254 HydrophobicContact CB-CG1 4.2Å; V246-I254 HydrophobicContact CG1-CD1 4.05Å; V246-I254 HydrophobicContact CG1-CG1 3.84Å; V246-I254 PolarHBondContact O-N 2.91Å; D248-I254 HydrophobicContact CB-CG2 4.1Å
255	D	93.2	Very high	92.7	Very high	38 Å²	38	58.1 Å²	58.1	20%	0.203	34%	0.339	C	S	.	.	S	Bend	trans	-89.3	-1.2	179	59.1	15.7	0	0	0	114.7	R245 V246 K257	R245-D255 VanDerWaalsContact CA-OD2 3.24Å; R245-D255 WeakPolarHBondContact CA-OD2 3.44Å; R245-D255 IonicContact CZ-OD1 2.75Å; R245-D255 IonicContact CZ-OD2 3.34Å; R245-D255 IonicContact NE-OD1 3.11Å; R245-D255 IonicContact NE-OD2 3.56Å; R245-D255 PolarHBondContact NE-OD2 2.97Å; R245-D255 IonicContact NH2-OD1 2.71Å; R245-D255 PolarHBondContact NH2-OD1 3.23Å; R245-D255 IonicContact NH2-OD2 3.19Å; V246-D255 HydrophobicContact CB-CB 3.92Å; V246-D255 HydrophobicContact CG2-CB 3.99Å; V246-D255 PolarHBondContact N-OD2 3.49Å; D255-K257 HydrophobicContact CB-CD 4.43Å; D255-K257 HydrophobicContact CB-CG 4.22Å; D255-K257 PolarHBondContact O-N 3.47Å; D255-K257 WeakPolarHBondContact OD1-CB 3.48Å; D255-K257 PolarHBondContact OD1-N 2.72Å
256	G	92.3	Very high	92.6	Very high	76 Å²	76	59.4 Å²	59.4	78%	0.784	34%	0.344	S	S	*	.	S	Bend	trans	73.4	0.9	-177.6	0	0	0	0	0	115.2	G258	G256-G258 PolarHBondContact O-N 3.36Å
257	K	91.9	Very high	92.5	Very high	129 Å²	129	65.1 Å²	65.1	56%	0.561	36%	0.364	S	S	*	.	S	Bend	trans	-82.8	31.6	-177.4	-51.4	176.5	-171.1	176.7	0	113.3	G244 R245 D255	G244-K257 PolarHBondContact O-NZ 2.96Å; R245-K257 PolarHBondContact NH2-O 2.96Å; D255-K257 HydrophobicContact CB-CD 4.43Å; D255-K257 HydrophobicContact CB-CG 4.22Å; D255-K257 PolarHBondContact O-N 3.47Å; D255-K257 WeakPolarHBondContact OD1-CB 3.48Å; D255-K257 PolarHBondContact OD1-N 2.72Å
258	G	91.9	Very high	92.3	Very high	41 Å²	41	65.6 Å²	65.6	42%	0.423	37%	0.366	S	S	.	.			trans	70.8	-170.3	-173.2	0	0	0	0	0	114.3	R245 G256	R245-G258 PolarHBondContact NH2-O 2.69Å; G256-G258 PolarHBondContact O-N 3.36Å
259	P	91	Very high	92	Very high	117 Å²	117	65.7 Å²	65.7	76%	0.76	38%	0.376	S	S	*	.			trans	-67.7	175.7	-178.5	28.5	-35.3	0	0	0	113.5	R245	R245-P259 PolarHBondContact NH1-O 2.86Å
260	L	90.6	Very high	91.8	Very high	37 Å²	37	68.9 Å²	68.9	19%	0.194	39%	0.392	C	S	.	.			trans	-90.9	142.9	169.5	-62.1	177.6	0	0	0	110.5	P237 L242 R245 V247 G251 A253	P237-L260 HydrophobicContact CB-CD1 4.46Å; P237-L260 HydrophobicContact CG-CD1 3.94Å; L242-L260 HydrophobicContact CD2-CD1 4.27Å; L242-L260 HydrophobicContact CG-CD1 4.2Å; R245-L260 HydrophobicContact CB-CD2 4.13Å; R245-L260 HydrophobicContact CG-CD2 3.79Å; V247-L260 HydrophobicContact CG1-CD1 4.02Å; V247-L260 HydrophobicContact CG1-CD2 4.37Å; G251-L260 WeakPolarHBondContact O-CD1 3.1Å; A253-L260 HydrophobicContact CB-CD2 4.22Å; A253-L260 HydrophobicContact CB-CG 4.2Å
261	G	84.3	Confident	91.8	Very high	51 Å²	51	77.4 Å²	77.4	53%	0.526	43%	0.428	S	S	.	.			trans	-88.2	-0.6	175.4	0	0	0	0	0	115.2	K263	G261-K263 PolarHBondContact O-N 3.25Å
262	S	84.4	Confident	91.9	Very high	24 Å²	24	78.5 Å²	78.5	17%	0.168	44%	0.437	C	S	.	.			trans	-61.1	130.4	-176.3	163.4	0	0	0	0	111.9	V238 V264	V238-S262 PolarHBondContact N-OG 3.35Å; V238-S262 PolarHBondContact O-OG 3.09Å; S262-V264 PolarHBondContact OG-N 3.02Å; S262-V264 PolarHBondContact OG-O 3.07Å
263	K	85.1	Confident	92	Very high	194 Å²	194	75 Å²	75	84%	0.843	42%	0.42	S	S	*	.			trans	-98.9	-7.1	179.6	-59.5	177.8	-175.3	175.2	0	113.6	G261	G261-K263 PolarHBondContact O-N 3.25Å
264	V	93.7	Very high	91.9	Very high	71 Å²	71	75.4 Å²	75.4	43%	0.43	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.1	-171.1	-177.6	0	0	0	0	109.4	P237 V238 S262	P237-V264 WeakPolarHBondContact CA-O 3.02Å; V238-V264 HydrophobicContact CG2-CB 4.2Å; V238-V264 HydrophobicContact CG2-CG1 3.84Å; V238-V264 PolarHBondContact N-O 3.19Å; S262-V264 PolarHBondContact OG-N 3.02Å; S262-V264 PolarHBondContact OG-O 3.07Å
265	R	93.4	Very high	92	Very high	129 Å²	129	78.8 Å²	78.8	49%	0.487	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	150.2	171.6	-56.2	-179.1	66.9	82.8	2.9	110.5	D235 V236	D235-R265 PolarHBondContact O-NH2 2.81Å; D235-R265 IonicContact OD1-CZ 2.8Å; D235-R265 VanDerWaalsContact OD1-CZ 3.22Å; D235-R265 IonicContact OD1-NE 3.23Å; D235-R265 PolarHBondContact OD1-NE 3.43Å; D235-R265 IonicContact OD1-NH2 3.56Å; D235-R265 PolarHBondContact OD1-NH2 2.59Å; D235-R265 WeakPolarHBondContact OD2-CB 3.41Å; D235-R265 WeakPolarHBondContact OD2-CD 3.33Å; D235-R265 IonicContact OD2-CZ 3.41Å; D235-R265 IonicContact OD2-NE 3.05Å; D235-R265 PolarHBondContact OD2-NE 3.43Å; V236-R265 CarbonylContact O-C 3.53Å; V236-R265 VanDerWaalsContact O-CA 3.25Å; V236-R265 WeakPolarHBondContact O-CA 3.44Å
266	R	94.5	Very high	92.1	Very high	56 Å²	56	84.1 Å²	84.1	21%	0.211	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	139.4	173.8	-75.9	-175.4	177.4	-157.7	-2.1	110.5	D235 V236 V238 D398	D235-R266 CarbonylContact C-O 3.41Å; D235-R266 VanDerWaalsContact CA-O 3.28Å; D235-R266 WeakPolarHBondContact CA-O 3.39Å; D235-R266 WeakPolarHBondContact CB-O 3.24Å; V236-R266 PolarHBondContact N-O 3.34Å; V236-R266 PolarHBondContact O-N 3.19Å; V238-R266 HydrophobicContact CG1-CB 4.11Å; V238-R266 HydrophobicContact CG1-CG 4.42Å; V238-R266 HydrophobicContact CG2-CB 4.25Å; V238-R266 HydrophobicContact CG2-CG 3.74Å; R266-D398 IonicContact CZ-OD2 2.61Å; R266-D398 IonicContact NH1-OD2 3.61Å; R266-D398 PolarHBondContact NH1-OD2 3.16Å; R266-D398 IonicContact NH2-OD2 3.58Å
267	R	95.4	Very high	92.3	Very high	135 Å²	135	81.6 Å²	81.6	51%	0.509	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	141.1	175.1	-67.6	179.8	-178.3	177.2	-1.7	110.6	I233 V234 D235 L270	I233-R267 HydrophobicContact CB-CG 4.44Å; I233-R267 HydrophobicContact CG2-CG 4.39Å; V234-R267 CarbonylContact O-C 3.6Å; V234-R267 WeakPolarHBondContact O-CA 3.47Å; D235-R267 HydrophobicContact CB-CG 4.48Å; R267-L270 WeakPolarHBondContact O-CG 3.49Å
268	V	94.1	Very high	92.5	Very high	9 Å²	9	79 Å²	79	6%	0.055	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-29.8	-179.6	-57.9	0	0	0	0	112.7	V234 V236 L270 L384 S391 R447	V234-V268 HydrophobicContact CB-CG2 3.81Å; V234-V268 HydrophobicContact CG1-CB 4.49Å; V234-V268 HydrophobicContact CG1-CG1 3.91Å; V234-V268 HydrophobicContact CG1-CG2 3.78Å; V234-V268 WeakPolarHBondContact O-CG2 3.22Å; V234-V268 PolarHBondContact O-N 3.28Å; V236-V268 HydrophobicContact CG1-CG1 3.82Å; V236-V268 HydrophobicContact CG2-CG1 4.2Å; V268-L270 PolarHBondContact O-N 3.28Å; V268-L384 HydrophobicContact CB-CD1 4.19Å; V268-L384 HydrophobicContact CG1-CD1 4.17Å; V268-L384 HydrophobicContact CG2-CD1 3.79Å; V268-S391 WeakPolarHBondContact CA-OG 3.24Å; V268-R447 PolarHBondContact O-NH1 3.07Å; V268-R447 PolarHBondContact O-NH2 3.22Å
269	G	88.4	Confident	92.7	Very high	36 Å²	36	79.4 Å²	79.4	37%	0.371	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	35.5	-176.3	0	0	0	0	0	115.2
270	L	91.3	Very high	93	Very high	67 Å²	67	78.7 Å²	78.7	35%	0.351	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-65.5	139.7	178.9	-71.7	171.4	0	0	0	112.3	R267 V268 R447	R267-L270 WeakPolarHBondContact O-CG 3.49Å; V268-L270 PolarHBondContact O-N 3.28Å; L270-R447 WeakPolarHBondContact O-CD 3.48Å
271	K	93.9	Very high	93.3	Very high	201 Å²	201	78.1 Å²	78.1	87%	0.874	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-69.1	133.6	176.1	-174.9	176.9	-179.6	176	0	110.3
272	A	95.4	Very high	93.7	Very high	26 Å²	26	82.5 Å²	82.5	22%	0.215	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-56	147.3	175.8	0	0	0	0	0	112.9	G274 E446 R447	A272-G274 PolarHBondContact O-N 2.79Å; A272-E446 HydrophobicContact CB-CB 3.77Å; A272-E446 WeakPolarHBondContact CB-O 3.48Å; A272-R447 HydrophobicContact CB-CG 3.97Å
273	P	95.5	Very high	94.1	Very high	17 Å²	17	83.4 Å²	83.4	11%	0.11	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-55.1	136.4	174	-24.9	34.3	0	0	0	111.7	R278 M451	P273-R278 HydrophobicContact CB-CG 4.47Å; P273-R278 VanDerWaalsContact O-CZ 3.31Å; P273-R278 PolarHBondContact O-NE 2.91Å; P273-R278 PolarHBondContact O-NH2 2.84Å; P273-M451 HydrophobicContact CB-CE 4.31Å; P273-M451 HydrophobicContact CB-SD 4.14Å; P273-M451 HydrophobicContact CG-CE 4.45Å; P273-M451 HydrophobicContact CG-SD 3.97Å
274	G	95.1	Very high	94.6	Very high	43 Å²	43	76.2 Å²	76.2	44%	0.443	39%	0.391	S	S	.	.			trans	-67.3	-171	175.4	0	0	0	0	0	113.2	A272 R278	A272-G274 PolarHBondContact O-N 2.79Å; G274-R278 WeakPolarHBondContact O-CG 3.12Å; G274-R278 PolarHBondContact O-NE 2.9Å
275	I	95.6	Very high	94.7	Very high	158 Å²	158	72.9 Å²	72.9	81%	0.81	37%	0.37	S	S	*	.	S	Bend	trans	-69.2	-47	179.9	-58.9	174.5	0	0	0	111.2	R278	I275-R278 PolarHBondContact O-N 3.19Å
276	I	96.3	Very high	94.8	Very high	149 Å²	149	67.9 Å²	67.9	76%	0.764	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-41.5	-172.7	-58.6	171.4	0	0	0	113.3	R278 N452	I276-R278 VanDerWaalsContact C-N 3.26Å; I276-R278 PolarHBondContact O-N 2.93Å; I276-N452 PolarHBondContact O-ND2 2.97Å
277	P	96.1	Very high	94.9	Very high	24 Å²	24	65.2 Å²	65.2	16%	0.156	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.7	178.2	-23.2	36.3	0	0	0	115.8	M451 N452 F455	P277-M451 HydrophobicContact CB-CE 3.61Å; P277-M451 WeakPolarHBondContact O-CA 3.4Å; P277-N452 PolarHBondContact O-N 2.89Å; P277-F455 HydrophobicContact CB-CD2 3.67Å; P277-F455 HydrophobicContact CB-CE2 3.73Å; P277-F455 HydrophobicContact CB-CG 4.09Å; P277-F455 HydrophobicContact CB-CZ 4.2Å; P277-F455 HydrophobicContact CG-CD2 4.35Å; P277-F455 HydrophobicContact CG-CE2 3.91Å; P277-F455 HydrophobicContact CG-CZ 4.03Å
278	R	96.7	Very high	94.9	Very high	73 Å²	73	58.8 Å²	58.8	28%	0.275	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-88	161.7	-177.1	-63.7	178.3	-167.2	-157	7.5	112	P273 G274 I275 I276 E446 A449 K450	P273-R278 HydrophobicContact CB-CG 4.47Å; P273-R278 VanDerWaalsContact O-CZ 3.31Å; P273-R278 PolarHBondContact O-NE 2.91Å; P273-R278 PolarHBondContact O-NH2 2.84Å; G274-R278 WeakPolarHBondContact O-CG 3.12Å; G274-R278 PolarHBondContact O-NE 2.9Å; I275-R278 PolarHBondContact O-N 3.19Å; I276-R278 VanDerWaalsContact C-N 3.26Å; I276-R278 PolarHBondContact O-N 2.93Å; R278-E446 IonicContact CZ-OE2 3.47Å; R278-E446 VanDerWaalsContact CZ-OE2 3.23Å; R278-E446 IonicContact NH1-OE2 3.28Å; R278-E446 PolarHBondContact NH1-OE2 3.23Å; R278-E446 PolarHBondContact NH2-O 3.48Å; R278-E446 IonicContact NH2-OE2 2.77Å; R278-E446 PolarHBondContact NH2-OE2 2.79Å; R278-A449 HydrophobicContact CG-CB 4.17Å; R278-K450 WeakPolarHBondContact CA-O 3.28Å
279	I	96.8	Very high	95.1	Very high	51 Å²	51	58.5 Å²	58.5	26%	0.262	32%	0.317	S	S	.	.			trans	-136.6	155.5	167.9	-167.8	169.2	0	0	0	110.2	V281 K450 M451 N452	I279-V281 PolarHBondContact O-N 3.43Å; I279-K450 HydrophobicContact CG2-CB 4.21Å; I279-K450 HydrophobicContact CG2-CG 3.53Å; I279-K450 PolarHBondContact N-O 2.73Å; I279-M451 VanDerWaalsContact CG2-O 3.26Å; I279-M451 WeakPolarHBondContact CG2-O 3.24Å; I279-N452 HydrophobicContact CB-CB 3.99Å; I279-N452 HydrophobicContact CG2-CB 4.47Å
280	S	96.4	Very high	95.4	Very high	101 Å²	101	56.8 Å²	56.8	71%	0.706	30%	0.299	S	S	*	.			trans	-59.1	135.2	176.6	-52.9	0	0	0	0	112.2	R282	S280-R282 PolarHBondContact O-N 2.81Å
281	V	96.8	Very high	95.6	Very high	26 Å²	26	53.9 Å²	53.9	16%	0.158	28%	0.284	C	S	.	.			trans	-66	118.5	177.4	178.5	0	0	0	0	110	I279 G299 K450 V513	I279-V281 PolarHBondContact O-N 3.43Å; V281-G299 VanDerWaalsContact CG1-CA 3.5Å; V281-K450 HydrophobicContact CG2-CB 4.36Å; V281-V513 HydrophobicContact CB-CG1 4.13Å; V281-V513 HydrophobicContact CG1-CG1 4.1Å
282	R	92.4	Very high	95.7	Very high	142 Å²	142	44.3 Å²	44.3	54%	0.536	24%	0.243	S	C	.	.			trans	-136.3	6	-174.1	66.3	179.3	177.7	-170.9	-7.8	114.2	S280 D453	S280-R282 PolarHBondContact O-N 2.81Å; R282-D453 IonicContact NH2-OD1 2.69Å; R282-D453 IonicContact NH2-OD2 3.42Å
283	E	93.3	Very high	95.7	Very high	44 Å²	44	43.5 Å²	43.5	21%	0.206	24%	0.235	C	C	.	.	S	Bend	trans	-124.1	130.3	-172.6	-71.1	155.3	-138.6	0	0	108.9	G299 R300 H402 K450	E283-G299 CarbonylContact O-C 3.59Å; E283-G299 VanDerWaalsContact O-CA 3.23Å; E283-G299 WeakPolarHBondContact O-CA 2.89Å; E283-R300 HydrophobicContact CB-CB 4.16Å; E283-R300 HydrophobicContact CB-CG 4.14Å; E283-R300 PolarHBondContact O-N 3.05Å; E283-H402 IonicContact OE2-CE1 3.87Å; E283-H402 PolarHBondContact OE2-CE1 2.68Å; E283-K450 WeakPolarHBondContact OE1-CE 3.34Å; E283-K450 IonicContact OE1-NZ 3.36Å; E283-K450 PolarHBondContact OE1-NZ 3.45Å; E283-K450 WeakPolarHBondContact OE2-CE 3.45Å; E283-K450 IonicContact OE2-NZ 3.7Å; E283-K450 PolarHBondContact OE2-NZ 2.79Å
284	P	95.6	Very high	95.7	Very high	42 Å²	42	43 Å²	43	27%	0.273	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-70.8	143.1	-179.6	28.3	-34.7	0	0	0	112.6	Q286 R300 A517 T519	P284-Q286 HydrophobicContact CB-CG 4.32Å; P284-R300 PolarHBondContact O-NE 3.29Å; P284-A517 WeakPolarHBondContact CA-O 3.32Å; P284-A517 WeakPolarHBondContact CB-O 3.39Å; P284-T519 HydrophobicContact CG-CG2 4.25Å
285	M	96.3	Very high	95.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.212	C	C	.	.			trans	-109.3	97	162.7	-165.1	-69.9	-66.2	0	0	106.8	T287 I298 R300 T321 L338 L404 T461	M285-T287 HydrophobicContact CE-CG2 4.05Å; M285-T287 PolarHBondContact O-N 3.34Å; M285-I298 HydrophobicContact CB-CG2 4.46Å; M285-I298 HydrophobicContact CE-CB 3.99Å; M285-I298 HydrophobicContact CE-CD1 4.04Å; M285-I298 HydrophobicContact CE-CG2 3.8Å; M285-I298 PolarHBondContact N-O 2.89Å; M285-R300 HydrophobicContact CB-CG 4.2Å; M285-T321 HydrophobicContact CE-CG2 3.78Å; M285-T321 HydrophobicContact SD-CG2 3.8Å; M285-L338 HydrophobicContact CG-CD2 3.61Å; M285-L338 HydrophobicContact SD-CD2 3.82Å; M285-L404 HydrophobicContact CE-CD1 4.02Å; M285-L404 HydrophobicContact SD-CD1 4.25Å; M285-L404 HydrophobicContact SD-CD2 4.29Å; M285-T461 HydrophobicContact CG-CG2 4.27Å
286	Q	95.4	Very high	95.6	Very high	24 Å²	24	33.7 Å²	33.7	11%	0.112	17%	0.173	C	C	.	.			trans	-78.3	119.1	-171.6	-63.4	-178.7	9.6	0	0	110.5	P284 N324 Q325	P284-Q286 HydrophobicContact CB-CG 4.32Å; Q286-N324 PolarHBondContact O-ND2 3.33Å; Q286-Q325 PolarHBondContact O-NE2 3.4Å
287	T	96.8	Very high	95.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.			trans	-78.3	-24.3	176.4	64	0	0	0	0	112.6	M285 I289 V292 D293 I298 T321 N324	M285-T287 HydrophobicContact CE-CG2 4.05Å; M285-T287 PolarHBondContact O-N 3.34Å; T287-I289 WeakPolarHBondContact OG1-CB 3.38Å; T287-I289 PolarHBondContact OG1-N 3.03Å; T287-I289 VanDerWaalsContact OG1-N 3.15Å; T287-V292 HydrophobicContact CG2-CB 4.36Å; T287-V292 HydrophobicContact CG2-CG1 3.8Å; T287-D293 WeakPolarHBondContact CB-OD1 3.27Å; T287-D293 PolarHBondContact N-OD1 3.28Å; T287-D293 PolarHBondContact N-OD2 3.29Å; T287-D293 VanDerWaalsContact OG1-CG 3.23Å; T287-D293 PolarHBondContact OG1-OD1 2.9Å; T287-D293 PolarHBondContact OG1-OD2 2.9Å; T287-I298 HydrophobicContact CG2-CD1 3.87Å; T287-T321 WeakPolarHBondContact CB-OG1 3.38Å; T287-T321 HydrophobicContact CG2-CG2 4.09Å; T287-N324 WeakPolarHBondContact O-CB 3.32Å
288	G	95.4	Very high	95.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	79.2	6.8	-171.3	0	0	0	0	0	112.9	D293 N324 Q569 P574 M575	G288-D293 WeakPolarHBondContact CA-OD2 3.23Å; G288-D293 PolarHBondContact N-OD2 2.81Å; G288-N324 PolarHBondContact N-ND2 2.89Å; G288-Q569 PolarHBondContact O-NE2 3.37Å; G288-P574 WeakPolarHBondContact O-CA 3.24Å; G288-M575 VanDerWaalsContact CA-O 3.31Å; G288-M575 WeakPolarHBondContact CA-O 3.37Å; G288-M575 PolarHBondContact O-N 2.87Å
289	I	97	Very high	95.7	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.021	12%	0.12	C	C	.	.			trans	-108.1	112	-176.1	-57	169.3	0	0	0	108.2	T287 A291 V292 D293 I317 D320 P502	T287-I289 WeakPolarHBondContact OG1-CB 3.38Å; T287-I289 PolarHBondContact OG1-N 3.03Å; T287-I289 VanDerWaalsContact OG1-N 3.15Å; I289-A291 PolarHBondContact O-N 2.91Å; I289-A291 VanDerWaalsContact O-N 3.1Å; I289-V292 HydrophobicContact CB-CB 4.27Å; I289-V292 HydrophobicContact CB-CG2 4.1Å; I289-V292 HydrophobicContact CG2-CB 4.47Å; I289-V292 HydrophobicContact CG2-CG2 3.92Å; I289-V292 PolarHBondContact O-N 3.32Å; I289-D293 PolarHBondContact O-N 2.79Å; I289-I317 HydrophobicContact CD1-CB 4.15Å; I289-I317 HydrophobicContact CD1-CG1 4.25Å; I289-I317 HydrophobicContact CD1-CG2 3.79Å; I289-D320 HydrophobicContact CD1-CB 4.09Å; I289-D320 HydrophobicContact CG1-CB 4.34Å; I289-P502 HydrophobicContact CG2-CG 3.79Å
290	K	95.3	Very high	95.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-46.4	-47.8	-175.7	-69.8	175.7	-66.1	177.7	0	112.6	V292 S294 L566 L567 K568 M575 Q580 V583 E604	K290-V292 VanDerWaalsContact C-N 3.32Å; K290-V292 PolarHBondContact O-N 3.04Å; K290-S294 VanDerWaalsContact O-CB 3.3Å; K290-S294 WeakPolarHBondContact O-CB 3.25Å; K290-S294 PolarHBondContact O-N 2.86Å; K290-S294 PolarHBondContact O-OG 3.5Å; K290-L566 WeakPolarHBondContact CE-O 3.46Å; K290-L566 PolarHBondContact NZ-O 3.25Å; K290-L567 HydrophobicContact CB-CD2 4.08Å; K290-K568 WeakPolarHBondContact CE-O 3.41Å; K290-K568 PolarHBondContact NZ-O 2.91Å; K290-M575 HydrophobicContact CD-CE 3.91Å; K290-M575 HydrophobicContact CD-SD 4.02Å; K290-M575 HydrophobicContact CG-CE 4.34Å; K290-M575 HydrophobicContact CG-SD 4Å; K290-Q580 HydrophobicContact CG-CG 3.98Å; K290-V583 HydrophobicContact CD-CG1 4.28Å; K290-E604 IonicContact NZ-OE1 3Å; K290-E604 PolarHBondContact NZ-OE1 2.86Å; K290-E604 IonicContact NZ-OE2 2.79Å; K290-E604 PolarHBondContact NZ-OE2 2.92Å
291	A	95	Very high	95.8	Very high	5 Å²	5	16.6 Å²	16.6	4%	0.041	8%	0.08	C	C	.	.	H	α-helix	trans	-71.4	-21	-176.1	0	0	0	0	0	114.4	I289 L295 P502 I504 L567	I289-A291 PolarHBondContact O-N 2.91Å; I289-A291 VanDerWaalsContact O-N 3.1Å; A291-L295 WeakPolarHBondContact O-CB 3.15Å; A291-P502 HydrophobicContact CB-CG 4.16Å; A291-I504 HydrophobicContact CB-CD1 3.91Å; A291-L567 HydrophobicContact CB-CB 4.38Å; A291-L567 HydrophobicContact CB-CD2 4.13Å
292	V	96.2	Very high	95.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-89.5	-57.8	175	-178.2	0	0	0	0	109.7	T287 I289 K290 S294 L295 V296 I298 I489 I504	T287-V292 HydrophobicContact CG2-CB 4.36Å; T287-V292 HydrophobicContact CG2-CG1 3.8Å; I289-V292 HydrophobicContact CB-CB 4.27Å; I289-V292 HydrophobicContact CB-CG2 4.1Å; I289-V292 HydrophobicContact CG2-CB 4.47Å; I289-V292 HydrophobicContact CG2-CG2 3.92Å; I289-V292 PolarHBondContact O-N 3.32Å; K290-V292 VanDerWaalsContact C-N 3.32Å; K290-V292 PolarHBondContact O-N 3.04Å; V292-S294 PolarHBondContact O-N 2.88Å; V292-S294 VanDerWaalsContact O-N 3.07Å; V292-L295 PolarHBondContact O-N 3.24Å; V292-V296 WeakPolarHBondContact CG1-O 3.43Å; V292-V296 CarbonylContact O-C 3.5Å; V292-V296 WeakPolarHBondContact O-CA 3.49Å; V292-V296 PolarHBondContact O-N 2.87Å; V292-I298 HydrophobicContact CG1-CD1 3.93Å; V292-I298 HydrophobicContact CG1-CG1 4.06Å; V292-I489 HydrophobicContact CG1-CD1 3.75Å; V292-I489 HydrophobicContact CG2-CD1 4.09Å; V292-I504 HydrophobicContact CG2-CD1 3.58Å
293	D	96	Very high	96.1	Very high	9 Å²	9	9.5 Å²	9.5	5%	0.048	5%	0.051	C	C	.	.	H	α-helix	trans	-60.7	-26.5	-173.1	-66.4	-17.9	0	0	0	112.9	T287 G288 I289 Q518 Q580	T287-D293 WeakPolarHBondContact CB-OD1 3.27Å; T287-D293 PolarHBondContact N-OD1 3.28Å; T287-D293 PolarHBondContact N-OD2 3.29Å; T287-D293 VanDerWaalsContact OG1-CG 3.23Å; T287-D293 PolarHBondContact OG1-OD1 2.9Å; T287-D293 PolarHBondContact OG1-OD2 2.9Å; G288-D293 WeakPolarHBondContact CA-OD2 3.23Å; G288-D293 PolarHBondContact N-OD2 2.81Å; I289-D293 PolarHBondContact O-N 2.79Å; D293-Q518 PolarHBondContact O-NE2 2.86Å; D293-Q580 PolarHBondContact OD2-NE2 2.92Å
294	S	94.6	Very high	96.3	Very high	7 Å²	7	7.4 Å²	7.4	5%	0.049	4%	0.041	C	C	.	.	H	α-helix	trans	-90	-43.9	175.9	67.2	0	0	0	0	115.2	K290 V292 Q518	K290-S294 VanDerWaalsContact O-CB 3.3Å; K290-S294 WeakPolarHBondContact O-CB 3.25Å; K290-S294 PolarHBondContact O-N 2.86Å; K290-S294 PolarHBondContact O-OG 3.5Å; V292-S294 PolarHBondContact O-N 2.88Å; V292-S294 VanDerWaalsContact O-N 3.07Å; S294-Q518 PolarHBondContact O-NE2 2.81Å
295	L	94	Very high	96.5	Very high	6 Å²	6	5.4 Å²	5.4	3%	0.031	3%	0.028	C	C	.	.	H	α-helix	trans	-103.4	-25.6	-170.1	-51.9	179.2	0	0	0	114.7	A291 V292 V506 M529 K530 L533 L567	A291-L295 WeakPolarHBondContact O-CB 3.15Å; V292-L295 PolarHBondContact O-N 3.24Å; L295-V506 HydrophobicContact CD1-CB 4.45Å; L295-V506 HydrophobicContact CD1-CG1 3.94Å; L295-V506 HydrophobicContact CD1-CG2 3.74Å; L295-M529 HydrophobicContact CD2-CB 4.33Å; L295-M529 HydrophobicContact CD2-CG 4.1Å; L295-M529 HydrophobicContact CD2-SD 4.06Å; L295-K530 HydrophobicContact CD2-CB 4.04Å; L295-K530 WeakPolarHBondContact O-CD 3.48Å; L295-K530 PolarHBondContact O-NZ 2.79Å; L295-L533 HydrophobicContact CD1-CD1 3.99Å; L295-L533 HydrophobicContact CD2-CD1 4.14Å; L295-L567 HydrophobicContact CD1-CD1 3.71Å
296	V	96	Very high	96.6	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	S	Bend	trans	-140.8	58.3	-174.4	-161.9	0	0	0	0	109.1	V292 E304 I489	V292-V296 WeakPolarHBondContact CG1-O 3.43Å; V292-V296 CarbonylContact O-C 3.5Å; V292-V296 WeakPolarHBondContact O-CA 3.49Å; V292-V296 PolarHBondContact O-N 2.87Å; V296-E304 VanDerWaalsContact CG1-OE1 3.25Å; V296-E304 WeakPolarHBondContact CG1-OE1 3.43Å; V296-I489 HydrophobicContact CB-CG1 4.19Å; V296-I489 HydrophobicContact CG1-CG1 3.72Å
297	P	95.8	Very high	96.7	Very high	9 Å²	9	4.3 Å²	4.3	6%	0.058	2%	0.023	C	C	.	.			trans	-65.8	140.3	-170.8	28.9	-38.3	0	0	0	111.9	S511 G514 A517 Q518	P297-S511 VanDerWaalsContact O-CB 3.26Å; P297-S511 WeakPolarHBondContact O-CB 3.5Å; P297-S511 PolarHBondContact O-OG 3.24Å; P297-G514 WeakPolarHBondContact CG-O 3.18Å; P297-A517 HydrophobicContact CB-CB 4.4Å; P297-Q518 HydrophobicContact CB-CG 3.37Å; P297-Q518 HydrophobicContact CG-CG 3.66Å
298	I	98	Very high	96.7	Very high	3 Å²	3	4.3 Å²	4.3	2%	0.015	2%	0.023	C	C	.	.			trans	-110.7	130.8	-177.7	-46.6	-178.9	0	0	0	108.9	M285 T287 V292 Q302 E304 T461 L463 I489	M285-I298 HydrophobicContact CB-CG2 4.46Å; M285-I298 HydrophobicContact CE-CB 3.99Å; M285-I298 HydrophobicContact CE-CD1 4.04Å; M285-I298 HydrophobicContact CE-CG2 3.8Å; M285-I298 PolarHBondContact N-O 2.89Å; T287-I298 HydrophobicContact CG2-CD1 3.87Å; V292-I298 HydrophobicContact CG1-CD1 3.93Å; V292-I298 HydrophobicContact CG1-CG1 4.06Å; I298-Q302 HydrophobicContact CG2-CB 4.36Å; I298-E304 HydrophobicContact CD1-CB 3.96Å; I298-E304 HydrophobicContact CD1-CG 4.15Å; I298-E304 HydrophobicContact CG1-CB 4.1Å; I298-E304 HydrophobicContact CG1-CG 4.11Å; I298-E304 HydrophobicContact CG2-CB 4.17Å; I298-T461 HydrophobicContact CG2-CG2 4.13Å; I298-L463 HydrophobicContact CD1-CD2 3.76Å; I298-L463 HydrophobicContact CG2-CD2 4.44Å; I298-I489 HydrophobicContact CD1-CD1 4.1Å
299	G	97.4	Very high	96.6	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.	B	Isolated β-bridge	trans	-104.4	159.7	177.2	0	0	0	0	0	113.8	V281 E283 G301 Q302 T461	V281-G299 VanDerWaalsContact CG1-CA 3.5Å; E283-G299 CarbonylContact O-C 3.59Å; E283-G299 VanDerWaalsContact O-CA 3.23Å; E283-G299 WeakPolarHBondContact O-CA 2.89Å; G299-G301 PolarHBondContact O-N 2.98Å; G299-Q302 WeakPolarHBondContact O-CB 3.31Å; G299-Q302 PolarHBondContact O-N 2.97Å; G299-T461 WeakPolarHBondContact O-CG2 3.4Å
300	R	97.4	Very high	96.4	Very high	22 Å²	22	12.5 Å²	12.5	8%	0.083	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	115.9	178.1	-64.2	-174	175.3	-150.5	-11.2	110.7	E283 P284 M285 K335 K336 H402 T461	E283-R300 HydrophobicContact CB-CB 4.16Å; E283-R300 HydrophobicContact CB-CG 4.14Å; E283-R300 PolarHBondContact O-N 3.05Å; P284-R300 PolarHBondContact O-NE 3.29Å; M285-R300 HydrophobicContact CB-CG 4.2Å; R300-K335 PolarHBondContact NH1-O 3.22Å; R300-K336 PolarHBondContact NH2-O 2.99Å; R300-H402 PolarHBondContact NH1-CD2 3.49Å; R300-H402 VanDerWaalsContact NH1-CG 3.28Å; R300-H402 PolarHBondContact NH1-NE2 3.06Å; R300-T461 WeakPolarHBondContact CA-OG1 3.36Å
301	G	96.4	Very high	96.1	Very high	5 Å²	5	21 Å²	21	5%	0.052	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	7.2	-172.7	0	0	0	0	0	115.4	G299 L460 T461	G299-G301 PolarHBondContact O-N 2.98Å; G301-L460 WeakPolarHBondContact CA-O 3.4Å; G301-T461 PolarHBondContact N-OG1 2.96Å
302	Q	97.8	Very high	96	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.094	C	C	.	.			trans	-85.7	163.2	170.1	-176.8	171	-12.1	0	0	111.7	I298 G299 E304 T461 A462 D486 S511 V513	I298-Q302 HydrophobicContact CG2-CB 4.36Å; G299-Q302 WeakPolarHBondContact O-CB 3.31Å; G299-Q302 PolarHBondContact O-N 2.97Å; Q302-E304 PolarHBondContact NE2-OE2 3.35Å; Q302-T461 WeakPolarHBondContact O-CA 3.43Å; Q302-T461 VanDerWaalsContact O-CG2 3.25Å; Q302-T461 WeakPolarHBondContact O-CG2 3.5Å; Q302-A462 PolarHBondContact O-N 3.2Å; Q302-D486 HydrophobicContact CG-CB 4.46Å; Q302-S511 PolarHBondContact NE2-OG 3.48Å; Q302-V513 HydrophobicContact CB-CG2 4.48Å; Q302-V513 HydrophobicContact CG-CG2 4Å
303	R	98.3	Very high	95.9	Very high	18 Å²	18	21.9 Å²	21.9	7%	0.068	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-124	84.8	-178.1	-54.3	168.4	-67.6	175.5	-5.6	110.4	L445 E446 A448 A462 T485 D486	R303-L445 WeakPolarHBondContact CD-O 3.43Å; R303-E446 IonicContact CZ-OE1 3.41Å; R303-E446 IonicContact NH1-OE1 2.86Å; R303-E446 PolarHBondContact NH1-OE1 3.24Å; R303-E446 IonicContact NH1-OE2 2.84Å; R303-E446 IonicContact NH2-OE1 3.74Å; R303-E446 PolarHBondContact NH2-OE1 3.35Å; R303-A448 HydrophobicContact CG-CB 3.8Å; R303-A462 CarbonylContact C-O 3.58Å; R303-A462 VanDerWaalsContact CA-O 3.26Å; R303-A462 WeakPolarHBondContact CA-O 3.38Å; R303-A462 HydrophobicContact CB-CB 4.42Å; R303-A462 HydrophobicContact CG-CB 4.25Å; R303-T485 HydrophobicContact CB-CG2 3.81Å; R303-T485 VanDerWaalsContact O-CB 3.24Å; R303-T485 WeakPolarHBondContact O-CB 3.31Å; R303-T485 WeakPolarHBondContact O-CG2 3.4Å; R303-D486 WeakPolarHBondContact CB-OD2 3.36Å; R303-D486 IonicContact CZ-OD1 3.44Å; R303-D486 PolarHBondContact N-OD2 3.21Å; R303-D486 IonicContact NE-OD1 2.82Å; R303-D486 PolarHBondContact NE-OD1 3.04Å; R303-D486 IonicContact NE-OD2 3.54Å; R303-D486 PolarHBondContact NE-OD2 2.84Å; R303-D486 VanDerWaalsContact NE-OD2 3.12Å; R303-D486 IonicContact NH2-OD1 3.04Å; R303-D486 PolarHBondContact NH2-OD1 2.87Å; R303-D486 VanDerWaalsContact O-CA 3.25Å; R303-D486 WeakPolarHBondContact O-CA 3.34Å; R303-D486 PolarHBondContact O-N 3.43Å
304	E	98.3	Very high	95.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	115.8	-172.7	-158.2	71.2	-177.6	0	0	112	V296 I298 Q302 A462 L463 G487 Q488 I489 S511	V296-E304 VanDerWaalsContact CG1-OE1 3.25Å; V296-E304 WeakPolarHBondContact CG1-OE1 3.43Å; I298-E304 HydrophobicContact CD1-CB 3.96Å; I298-E304 HydrophobicContact CD1-CG 4.15Å; I298-E304 HydrophobicContact CG1-CB 4.1Å; I298-E304 HydrophobicContact CG1-CG 4.11Å; I298-E304 HydrophobicContact CG2-CB 4.17Å; Q302-E304 PolarHBondContact NE2-OE2 3.35Å; E304-A462 PolarHBondContact N-O 3.38Å; E304-L463 HydrophobicContact CB-CD2 3.94Å; E304-L463 WeakPolarHBondContact O-CA 3.28Å; E304-G487 VanDerWaalsContact CD-C 3.41Å; E304-G487 VanDerWaalsContact OE1-C 3.3Å; E304-G487 WeakPolarHBondContact OE1-CA 3.3Å; E304-G487 VanDerWaalsContact OE2-CA 3.29Å; E304-G487 WeakPolarHBondContact OE2-CA 3.36Å; E304-G487 PolarHBondContact OE2-N 3.37Å; E304-Q488 PolarHBondContact OE1-N 3.12Å; E304-Q488 VanDerWaalsContact OE1-N 3.1Å; E304-I489 HydrophobicContact CG-CD1 4.12Å; E304-I489 HydrophobicContact CG-CG1 4.11Å; E304-S511 VanDerWaalsContact OE1-CA 3.32Å; E304-S511 WeakPolarHBondContact OE1-CA 3.26Å; E304-S511 WeakPolarHBondContact OE1-CB 3.3Å
305	L	98.4	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	123.8	-176.2	167.7	66.2	0	0	0	112.2	I307 P464 I466 V481 I482 T485 G487 Q488 I489	L305-I307 HydrophobicContact CD1-CB 4.24Å; L305-I307 HydrophobicContact CD2-CB 4.03Å; L305-I307 HydrophobicContact CD2-CD1 4.28Å; L305-I307 HydrophobicContact CD2-CG2 4Å; L305-I307 HydrophobicContact CG-CB 3.88Å; L305-I307 HydrophobicContact CG-CG2 3.95Å; L305-P464 HydrophobicContact CB-CG 4.38Å; L305-P464 HydrophobicContact CD1-CB 4.45Å; L305-P464 HydrophobicContact CD1-CG 4.31Å; L305-P464 WeakPolarHBondContact CD1-O 3.38Å; L305-I466 HydrophobicContact CD1-CB 3.89Å; L305-I466 HydrophobicContact CD1-CG1 3.55Å; L305-V481 HydrophobicContact CD1-CG1 3.88Å; L305-V481 HydrophobicContact CD2-CG1 4.24Å; L305-I482 HydrophobicContact CD2-CB 4.47Å; L305-I482 HydrophobicContact CD2-CG1 3.54Å; L305-T485 WeakPolarHBondContact CB-OG1 3.45Å; L305-G487 WeakPolarHBondContact CB-O 3.29Å; L305-G487 PolarHBondContact N-O 3.21Å; L305-Q488 HydrophobicContact CB-CB 4.07Å; L305-Q488 HydrophobicContact CD2-CB 4.21Å; L305-Q488 HydrophobicContact CG-CB 4.31Å; L305-Q488 CarbonylContact O-C 3.33Å; L305-Q488 VanDerWaalsContact O-CA 3.29Å; L305-Q488 WeakPolarHBondContact O-CA 3.47Å; L305-I489 PolarHBondContact O-N 2.64Å
306	I	98.4	Very high	96.1	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	104.3	169.7	-55.1	176.3	0	0	0	108.3	K314 I317 A318 L463 P464 V465 I466	I306-K314 HydrophobicContact CG2-CB 3.76Å; I306-K314 HydrophobicContact CG2-CD 4.39Å; I306-K314 HydrophobicContact CG2-CG 3.96Å; I306-I317 HydrophobicContact CD1-CB 4.43Å; I306-I317 HydrophobicContact CD1-CG2 3.93Å; I306-A318 HydrophobicContact CD1-CB 4.49Å; I306-L463 HydrophobicContact CD1-CB 4.23Å; I306-L463 HydrophobicContact CD1-CD1 4.31Å; I306-P464 PolarHBondContact N-O 2.9Å; I306-V465 HydrophobicContact CB-CG2 4.45Å; I306-V465 CarbonylContact O-C 3.52Å; I306-V465 VanDerWaalsContact O-CA 3.31Å; I306-V465 WeakPolarHBondContact O-CA 3.31Å; I306-I466 PolarHBondContact O-N 2.91Å
307	I	97.6	Very high	96.1	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.3	-172.2	176.7	167.9	0	0	0	111.2	L305 I466 T468 V473 P478 I482 Q488 I489 F490 L491	L305-I307 HydrophobicContact CD1-CB 4.24Å; L305-I307 HydrophobicContact CD2-CB 4.03Å; L305-I307 HydrophobicContact CD2-CD1 4.28Å; L305-I307 HydrophobicContact CD2-CG2 4Å; L305-I307 HydrophobicContact CG-CB 3.88Å; L305-I307 HydrophobicContact CG-CG2 3.95Å; I307-I466 HydrophobicContact CB-CB 4.41Å; I307-I466 HydrophobicContact CD1-CG2 4.09Å; I307-I466 HydrophobicContact CG1-CB 4.33Å; I307-I466 HydrophobicContact CG1-CG2 4.08Å; I307-T468 HydrophobicContact CD1-CG2 3.85Å; I307-T468 HydrophobicContact CG1-CG2 3.71Å; I307-V473 HydrophobicContact CD1-CG1 4.23Å; I307-P478 HydrophobicContact CD1-CB 3.94Å; I307-I482 HydrophobicContact CD1-CD1 4.11Å; I307-Q488 HydrophobicContact CG2-CB 4.07Å; I307-Q488 HydrophobicContact CG2-CG 4.49Å; I307-I489 PolarHBondContact N-O 3.05Å; I307-F490 HydrophobicContact CG1-CD2 4.3Å; I307-F490 HydrophobicContact CG1-CE2 4.38Å; I307-F490 HydrophobicContact CG2-CB 4.4Å; I307-F490 HydrophobicContact CG2-CD2 3.89Å; I307-F490 CarbonylContact O-C 3.58Å; I307-F490 WeakPolarHBondContact O-CA 3.2Å; I307-L491 PolarHBondContact O-N 2.87Å
308	G	96.8	Very high	96.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.9	-178.5	175.6	0	0	0	0	0	112.2	K314 I466 T468 L491	G308-K314 PolarHBondContact O-NZ 3Å; G308-I466 PolarHBondContact N-O 3.42Å; G308-T468 WeakPolarHBondContact CA-OG1 3.3Å; G308-T468 PolarHBondContact O-N 2.85Å; G308-T468 VanDerWaalsContact O-N 3.12Å; G308-T468 PolarHBondContact O-OG1 2.9Å; G308-L491 WeakPolarHBondContact CA-O 3.25Å
309	D	94.8	Very high	96.1	Very high	25 Å²	25	24.1 Å²	24.1	13%	0.134	12%	0.117	C	C	.	.			trans	-72.7	177.5	-173.3	-68.6	-29.2	0	0	0	113.2	T312 K314 T468 A470 G471 T493	D309-T312 HydrophobicContact CB-CG2 3.87Å; D309-T312 PolarHBondContact O-OG1 3.42Å; D309-K314 PolarHBondContact O-NZ 3.44Å; D309-T468 PolarHBondContact N-OG1 3.44Å; D309-T468 VanDerWaalsContact N-OG1 3.12Å; D309-T468 PolarHBondContact OD1-OG1 2.92Å; D309-A470 PolarHBondContact OD1-N 3.33Å; D309-G471 PolarHBondContact OD1-N 3.27Å; D309-G471 PolarHBondContact OD2-N 3.04Å; D309-T493 WeakPolarHBondContact CB-OG1 3.29Å; D309-T493 PolarHBondContact OD2-OG1 2.91Å
310	R	91.9	Very high	96.1	Very high	152 Å²	152	24.6 Å²	24.6	57%	0.574	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	143.6	168.4	-74.1	176.5	-177.4	149.7	15.6	111.1	T312 E467	R310-T312 PolarHBondContact O-N 3.44Å; R310-E467 VanDerWaalsContact CG-CD 3.47Å; R310-E467 HydrophobicContact CG-CG 4.07Å; R310-E467 WeakPolarHBondContact CG-OE2 3.33Å; R310-E467 IonicContact CZ-OE1 3.71Å; R310-E467 IonicContact NE-OE1 3.27Å; R310-E467 PolarHBondContact NE-OE1 3.18Å; R310-E467 IonicContact NE-OE2 3.8Å; R310-E467 PolarHBondContact NE-OE2 3.31Å; R310-E467 VanDerWaalsContact NE-OE2 3.11Å; R310-E467 IonicContact NH2-OE1 2.85Å; R310-E467 PolarHBondContact NH2-OE1 3.29Å
311	Q	89.4	Confident	96.1	Very high	178 Å²	178	23.6 Å²	23.6	83%	0.832	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	1.1	172.6	-56.4	178.2	-3.1	0	0	117.2	G313	Q311-G313 PolarHBondContact O-N 2.79Å; Q311-G313 VanDerWaalsContact O-N 3.13Å
312	T	92.8	Very high	96.2	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.018	11%	0.114	C	C	.	.	S	Bend	trans	-65.5	-10.9	178.2	53.5	0	0	0	0	116	D309 R310 T493	D309-T312 HydrophobicContact CB-CG2 3.87Å; D309-T312 PolarHBondContact O-OG1 3.42Å; R310-T312 PolarHBondContact O-N 3.44Å; T312-T493 WeakPolarHBondContact CG2-OG1 3.12Å
313	G	93.5	Very high	96.2	Very high	20 Å²	20	24.5 Å²	24.5	21%	0.206	12%	0.119	C	C	.	.	S	Bend	trans	107.8	7.4	177.2	0	0	0	0	0	116.3	Q311 T315 A316 I317	Q311-G313 PolarHBondContact O-N 2.79Å; Q311-G313 VanDerWaalsContact O-N 3.13Å; G313-T315 PolarHBondContact O-N 3.01Å; G313-A316 WeakPolarHBondContact O-CA 3.44Å; G313-A316 WeakPolarHBondContact O-CB 3.49Å; G313-A316 PolarHBondContact O-N 2.65Å; G313-I317 PolarHBondContact O-N 3.24Å
314	K	96.1	Very high	96.2	Very high	15 Å²	15	23.7 Å²	23.7	7%	0.065	12%	0.116	C	C	.	.	H	α-helix	trans	-44.9	-55.7	-178.2	-58.6	-165.8	-62.7	-90.4	0	113.7	I306 G308 D309 A316 I317 A318 V465 I466 L491	I306-K314 HydrophobicContact CG2-CB 3.76Å; I306-K314 HydrophobicContact CG2-CD 4.39Å; I306-K314 HydrophobicContact CG2-CG 3.96Å; G308-K314 PolarHBondContact O-NZ 3Å; D309-K314 PolarHBondContact O-NZ 3.44Å; K314-A316 VanDerWaalsContact C-N 3.27Å; K314-A316 PolarHBondContact O-N 3.07Å; K314-I317 PolarHBondContact O-N 2.87Å; K314-A318 PolarHBondContact O-N 3.32Å; K314-V465 HydrophobicContact CB-CG1 3.9Å; K314-V465 HydrophobicContact CD-CG1 3.71Å; K314-V465 VanDerWaalsContact CE-CG1 3.43Å; K314-V465 HydrophobicContact CG-CG1 4.41Å; K314-I466 VanDerWaalsContact CD-O 3.27Å; K314-I466 WeakPolarHBondContact CD-O 3.35Å; K314-I466 WeakPolarHBondContact CE-O 3.5Å; K314-L491 HydrophobicContact CB-CD1 4.36Å; K314-L491 HydrophobicContact CG-CD1 3.84Å
315	T	95.9	Very high	96.1	Very high	46 Å²	46	23.7 Å²	23.7	28%	0.282	12%	0.117	S	C	.	.	H	α-helix	trans	-65.1	-26.8	179.9	-42.9	0	0	0	0	113.3	G313 A318 I319 Y342 L355 D408	G313-T315 PolarHBondContact O-N 3.01Å; T315-A318 PolarHBondContact O-N 2.59Å; T315-I319 HydrophobicContact CG2-CD1 4.04Å; T315-I319 HydrophobicContact CG2-CG1 4.44Å; T315-I319 VanDerWaalsContact O-CG1 3.29Å; T315-I319 WeakPolarHBondContact O-CG1 3.34Å; T315-I319 PolarHBondContact O-N 2.77Å; T315-Y342 HydrophobicContact CG2-CE2 4.41Å; T315-Y342 VanDerWaalsContact CG2-OH 3.32Å; T315-Y342 WeakPolarHBondContact CG2-OH 3.13Å; T315-L355 HydrophobicContact CG2-CD1 4.1Å; T315-D408 WeakPolarHBondContact CB-OD2 3.33Å; T315-D408 WeakPolarHBondContact CG2-OD2 3.11Å; T315-D408 PolarHBondContact OG1-OD2 2.91Å
316	A	96	Very high	95.9	Very high	11 Å²	11	26.5 Å²	26.5	9%	0.091	13%	0.129	C	C	.	.	H	α-helix	trans	-70.1	-42	176.8	0	0	0	0	0	111.2	G313 K314 A318 I319 D320 Q571	G313-A316 WeakPolarHBondContact O-CA 3.44Å; G313-A316 WeakPolarHBondContact O-CB 3.49Å; G313-A316 PolarHBondContact O-N 2.65Å; K314-A316 VanDerWaalsContact C-N 3.27Å; K314-A316 PolarHBondContact O-N 3.07Å; A316-A318 VanDerWaalsContact C-N 3.26Å; A316-A318 PolarHBondContact O-N 3.42Å; A316-I319 PolarHBondContact O-N 2.75Å; A316-D320 WeakPolarHBondContact O-CB 3.2Å; A316-D320 PolarHBondContact O-N 2.71Å; A316-Q571 HydrophobicContact CB-CG 4.09Å
317	I	97.1	Very high	95.6	Very high	7 Å²	7	32 Å²	32	4%	0.036	15%	0.15	C	C	.	.	H	α-helix	trans	-57.4	-42.1	173.2	-65.9	-176.7	0	0	0	110.7	I289 I306 G313 K314 T321 I489 L491 P502 I504	I289-I317 HydrophobicContact CD1-CB 4.15Å; I289-I317 HydrophobicContact CD1-CG1 4.25Å; I289-I317 HydrophobicContact CD1-CG2 3.79Å; I306-I317 HydrophobicContact CD1-CB 4.43Å; I306-I317 HydrophobicContact CD1-CG2 3.93Å; G313-I317 PolarHBondContact O-N 3.24Å; K314-I317 PolarHBondContact O-N 2.87Å; I317-T321 WeakPolarHBondContact O-CB 3.3Å; I317-T321 PolarHBondContact O-N 3.19Å; I317-T321 PolarHBondContact O-OG1 2.89Å; I317-I489 HydrophobicContact CD1-CG2 4.39Å; I317-L491 HydrophobicContact CD1-CD1 3.88Å; I317-L491 HydrophobicContact CD1-CD2 3.74Å; I317-L491 HydrophobicContact CD1-CG 4.35Å; I317-P502 HydrophobicContact CD1-CB 4.07Å; I317-P502 HydrophobicContact CG1-CB 4.34Å; I317-I504 HydrophobicContact CD1-CD1 4.41Å; I317-I504 HydrophobicContact CD1-CG1 4.47Å
318	A	97.1	Very high	95.4	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.4	-44.3	177.5	0	0	0	0	0	113	I306 K314 T315 A316 T321 I322 I406	I306-A318 HydrophobicContact CD1-CB 4.49Å; K314-A318 PolarHBondContact O-N 3.32Å; T315-A318 PolarHBondContact O-N 2.59Å; A316-A318 VanDerWaalsContact C-N 3.26Å; A316-A318 PolarHBondContact O-N 3.42Å; A318-T321 PolarHBondContact O-N 2.92Å; A318-I322 WeakPolarHBondContact O-CG1 3.31Å; A318-I322 PolarHBondContact O-N 2.84Å; A318-I322 VanDerWaalsContact O-N 3.1Å; A318-I406 HydrophobicContact CB-CD1 3.97Å; A318-I406 HydrophobicContact CB-CG1 4.13Å; A318-I406 HydrophobicContact CB-CG2 3.86Å
319	I	97.3	Very high	95.3	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-65.7	-45.5	176.6	-67.9	165.3	0	0	0	111.2	T315 A316 T321 I322 I323 L355 L359 Y572	T315-I319 HydrophobicContact CG2-CD1 4.04Å; T315-I319 HydrophobicContact CG2-CG1 4.44Å; T315-I319 VanDerWaalsContact O-CG1 3.29Å; T315-I319 WeakPolarHBondContact O-CG1 3.34Å; T315-I319 PolarHBondContact O-N 2.77Å; A316-I319 PolarHBondContact O-N 2.75Å; I319-T321 VanDerWaalsContact C-N 3.27Å; I319-T321 PolarHBondContact O-N 2.72Å; I319-I322 WeakPolarHBondContact O-CB 3.41Å; I319-I322 PolarHBondContact O-N 2.81Å; I319-I323 HydrophobicContact CG2-CD1 3.66Å; I319-I323 HydrophobicContact CG2-CG1 4.22Å; I319-I323 WeakPolarHBondContact O-CG1 3.38Å; I319-I323 PolarHBondContact O-N 3.01Å; I319-L355 HydrophobicContact CD1-CD1 3.83Å; I319-L355 HydrophobicContact CD1-CG 3.96Å; I319-L355 HydrophobicContact CG1-CD1 4.05Å; I319-L355 HydrophobicContact CG1-CG 4.21Å; I319-L359 HydrophobicContact CG2-CD2 4.09Å; I319-Y572 HydrophobicContact CB-CE1 4.24Å; I319-Y572 HydrophobicContact CD1-CE1 4.4Å; I319-Y572 HydrophobicContact CG2-CD1 3.86Å; I319-Y572 HydrophobicContact CG2-CE1 3.69Å
320	D	97.3	Very high	95.2	Very high	10 Å²	10	38.6 Å²	38.6	5%	0.053	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-38.1	-180	-69.5	-5.9	0	0	0	111	I289 A316 I323 N324 Y572	I289-D320 HydrophobicContact CD1-CB 4.09Å; I289-D320 HydrophobicContact CG1-CB 4.34Å; A316-D320 WeakPolarHBondContact O-CB 3.2Å; A316-D320 PolarHBondContact O-N 2.71Å; D320-I323 PolarHBondContact O-N 3.36Å; D320-N324 PolarHBondContact O-N 3.22Å; D320-Y572 VanDerWaalsContact CG-N 3.32Å; D320-Y572 WeakPolarHBondContact OD1-CA 3.38Å; D320-Y572 WeakPolarHBondContact OD1-CD1 3.26Å; D320-Y572 PolarHBondContact OD1-N 2.79Å; D320-Y572 PolarHBondContact OD2-N 2.88Å
321	T	97.9	Very high	95.2	Very high	1 Å²	1	33 Å²	33	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-43.4	171.4	-59.4	0	0	0	0	111.9	M285 T287 I317 A318 I319 Q325 L404 L463	M285-T321 HydrophobicContact CE-CG2 3.78Å; M285-T321 HydrophobicContact SD-CG2 3.8Å; T287-T321 WeakPolarHBondContact CB-OG1 3.38Å; T287-T321 HydrophobicContact CG2-CG2 4.09Å; I317-T321 WeakPolarHBondContact O-CB 3.3Å; I317-T321 PolarHBondContact O-N 3.19Å; I317-T321 PolarHBondContact O-OG1 2.89Å; A318-T321 PolarHBondContact O-N 2.92Å; I319-T321 VanDerWaalsContact C-N 3.27Å; I319-T321 PolarHBondContact O-N 2.72Å; T321-Q325 WeakPolarHBondContact O-CG 3.44Å; T321-Q325 PolarHBondContact O-NE2 3.02Å; T321-L404 HydrophobicContact CG2-CD2 3.62Å; T321-L463 HydrophobicContact CG2-CD1 4.17Å
322	I	98.2	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.2	-50.7	174.8	-67.8	169	0	0	0	110.1	A318 I319 N324 Q325 C340 Y342 L359 A364 Y367 T368 I406	A318-I322 WeakPolarHBondContact O-CG1 3.31Å; A318-I322 PolarHBondContact O-N 2.84Å; A318-I322 VanDerWaalsContact O-N 3.1Å; I319-I322 WeakPolarHBondContact O-CB 3.41Å; I319-I322 PolarHBondContact O-N 2.81Å; I322-N324 VanDerWaalsContact C-N 3.29Å; I322-N324 PolarHBondContact O-N 2.8Å; I322-Q325 WeakPolarHBondContact O-CB 3.42Å; I322-Q325 PolarHBondContact O-N 2.73Å; I322-Q325 VanDerWaalsContact O-N 3.08Å; I322-C340 HydrophobicContact CG1-CB 4.11Å; I322-C340 HydrophobicContact CG2-CB 4.1Å; I322-Y342 HydrophobicContact CD1-CD2 4.14Å; I322-L359 HydrophobicContact CB-CD2 4.23Å; I322-L359 HydrophobicContact CD1-CD1 4.42Å; I322-L359 HydrophobicContact CG2-CD2 3.73Å; I322-A364 HydrophobicContact CG2-CB 4.15Å; I322-Y367 HydrophobicContact CG2-CE2 4.07Å; I322-Y367 PolarHBondContact O-OH 3.31Å; I322-T368 WeakPolarHBondContact CG2-OG1 3.37Å; I322-I406 HydrophobicContact CD1-CD1 3.61Å; I322-I406 HydrophobicContact CG1-CD1 3.67Å
323	I	97.7	Very high	95.1	Very high	24 Å²	24	34 Å²	34	12%	0.123	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-38.8	-176.7	-67	171.6	0	0	0	111.4	I319 D320 Q325 K326 L359 A362 A364 Y572 P574	I319-I323 HydrophobicContact CG2-CD1 3.66Å; I319-I323 HydrophobicContact CG2-CG1 4.22Å; I319-I323 WeakPolarHBondContact O-CG1 3.38Å; I319-I323 PolarHBondContact O-N 3.01Å; D320-I323 PolarHBondContact O-N 3.36Å; I323-Q325 PolarHBondContact O-N 2.97Å; I323-K326 WeakPolarHBondContact O-CB 3.46Å; I323-K326 PolarHBondContact O-N 2.86Å; I323-L359 HydrophobicContact CG1-CD2 4.21Å; I323-A362 HydrophobicContact CD1-CB 3.83Å; I323-A362 HydrophobicContact CG1-CB 3.88Å; I323-A362 HydrophobicContact CG2-CB 4.26Å; I323-A364 HydrophobicContact CG1-CB 4.42Å; I323-Y572 HydrophobicContact CD1-CD1 4.02Å; I323-P574 HydrophobicContact CB-CG 4.41Å; I323-P574 HydrophobicContact CG2-CG 3.94Å
324	N	97.1	Very high	94.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-58.8	-30.3	178.5	-167.3	50.5	0	0	0	113.2	Q286 T287 G288 D320 I322 K326 R327 P574	Q286-N324 PolarHBondContact O-ND2 3.33Å; T287-N324 WeakPolarHBondContact O-CB 3.32Å; G288-N324 PolarHBondContact N-ND2 2.89Å; D320-N324 PolarHBondContact O-N 3.22Å; I322-N324 VanDerWaalsContact C-N 3.29Å; I322-N324 PolarHBondContact O-N 2.8Å; N324-K326 PolarHBondContact O-N 3.3Å; N324-K326 VanDerWaalsContact O-N 3.16Å; N324-R327 WeakPolarHBondContact O-CB 3.47Å; N324-R327 PolarHBondContact O-N 2.9Å; N324-P574 HydrophobicContact CB-CB 3.73Å; N324-P574 HydrophobicContact CB-CG 4.15Å
325	Q	96.4	Very high	94.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-17.6	-177.7	-50.3	-43.8	-51.7	0	0	113.2	Q286 T321 I322 I323 R327 F328 N329 L338 Y367	Q286-Q325 PolarHBondContact O-NE2 3.4Å; T321-Q325 WeakPolarHBondContact O-CG 3.44Å; T321-Q325 PolarHBondContact O-NE2 3.02Å; I322-Q325 WeakPolarHBondContact O-CB 3.42Å; I322-Q325 PolarHBondContact O-N 2.73Å; I322-Q325 VanDerWaalsContact O-N 3.08Å; I323-Q325 PolarHBondContact O-N 2.97Å; Q325-R327 PolarHBondContact O-N 3.42Å; Q325-F328 PolarHBondContact O-N 2.83Å; Q325-N329 WeakPolarHBondContact O-CB 3.27Å; Q325-N329 PolarHBondContact O-N 2.92Å; Q325-L338 HydrophobicContact CB-CB 4.44Å; Q325-L338 HydrophobicContact CG-CB 4.16Å; Q325-L338 HydrophobicContact CG-CD2 3.87Å; Q325-L338 HydrophobicContact CG-CG 4.43Å; Q325-Y367 HydrophobicContact CB-CE2 3.99Å
326	K	95.4	Very high	94.4	Very high	58 Å²	58	46.9 Å²	46.9	25%	0.252	24%	0.236	S	C	.	.	H	α-helix	trans	-52	-40.1	173.4	-175.2	171.1	-179.6	175.6	0	111.7	I323 N324 F328 N329 D330 D363 Y367	I323-K326 WeakPolarHBondContact O-CB 3.46Å; I323-K326 PolarHBondContact O-N 2.86Å; N324-K326 PolarHBondContact O-N 3.3Å; N324-K326 VanDerWaalsContact O-N 3.16Å; K326-F328 PolarHBondContact O-N 3.38Å; K326-N329 PolarHBondContact O-N 3.44Å; K326-D330 WeakPolarHBondContact CE-OD2 3.18Å; K326-D330 WeakPolarHBondContact CG-OD2 3.32Å; K326-D330 PolarHBondContact O-N 2.93Å; K326-D363 WeakPolarHBondContact CE-OD2 3.4Å; K326-D363 IonicContact NZ-OD2 3.55Å; K326-D363 PolarHBondContact NZ-OD2 3.15Å; K326-Y367 HydrophobicContact CB-CE1 4.15Å; K326-Y367 PolarHBondContact N-OH 2.85Å; K326-Y367 VanDerWaalsContact N-OH 3.1Å
327	R	92	Very high	94.3	Very high	117 Å²	117	48 Å²	48	44%	0.442	24%	0.239	S	C	.	.	H	α-helix	trans	-57.5	-19	177.6	-61	-176.8	-177.7	-119.8	21.1	113.8	N324 Q325 P574 E579	N324-R327 WeakPolarHBondContact O-CB 3.47Å; N324-R327 PolarHBondContact O-N 2.9Å; Q325-R327 PolarHBondContact O-N 3.42Å; R327-P574 PolarHBondContact NH2-O 3.35Å; R327-E579 IonicContact CZ-OE1 3.34Å; R327-E579 IonicContact CZ-OE2 2.67Å; R327-E579 IonicContact NH1-OE1 3.96Å; R327-E579 PolarHBondContact NH1-OE1 2.81Å; R327-E579 IonicContact NH1-OE2 3.33Å; R327-E579 IonicContact NH2-OE1 3.96Å; R327-E579 PolarHBondContact NH2-OE1 3.42Å; R327-E579 IonicContact NH2-OE2 3.23Å; R327-E579 PolarHBondContact NH2-OE2 2.76Å
328	F	93.4	Very high	94.3	Very high	43 Å²	43	47.6 Å²	47.6	19%	0.189	24%	0.237	C	C	.	.	H	α-helix	trans	-108.9	-34.7	175.1	-54.9	-66.1	0	0	0	112.9	Q325 K326 G331 K336	Q325-F328 PolarHBondContact O-N 2.83Å; K326-F328 PolarHBondContact O-N 3.38Å; F328-G331 PolarHBondContact O-N 3.2Å; F328-G331 VanDerWaalsContact O-N 3.09Å; F328-K336 HydrophobicContact CB-CB 4.43Å; F328-K336 HydrophobicContact CD1-CB 4.4Å
329	N	94.6	Very high	94.4	Very high	19 Å²	19	48.5 Å²	48.5	10%	0.102	24%	0.24	C	C	.	.	H	α-helix	trans	-76.5	-27.9	-173.2	-68.1	-3.1	0	0	0	113.6	Q325 K326 G331 K337 L338 Y367	Q325-N329 WeakPolarHBondContact O-CB 3.27Å; Q325-N329 PolarHBondContact O-N 2.92Å; K326-N329 PolarHBondContact O-N 3.44Å; N329-G331 PolarHBondContact O-N 2.92Å; N329-K337 WeakPolarHBondContact OD1-CA 3.33Å; N329-K337 WeakPolarHBondContact OD1-CB 3.35Å; N329-L338 PolarHBondContact ND2-O 3.39Å; N329-L338 PolarHBondContact OD1-N 3.39Å; N329-Y367 HydrophobicContact CB-CD1 3.7Å; N329-Y367 HydrophobicContact CB-CE1 4.05Å; N329-Y367 HydrophobicContact CB-CG 4.13Å; N329-Y367 WeakPolarHBondContact ND2-CB 3.38Å; N329-Y367 WeakPolarHBondContact ND2-CD1 3.29Å; N329-Y367 WeakPolarHBondContact ND2-CD2 3.23Å
330	D	92.8	Very high	94.4	Very high	103 Å²	103	48.5 Å²	48.5	55%	0.551	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-9.1	168	-68.3	-13.3	0	0	0	112.4	K326	K326-D330 WeakPolarHBondContact CE-OD2 3.18Å; K326-D330 WeakPolarHBondContact CG-OD2 3.32Å; K326-D330 PolarHBondContact O-N 2.93Å
331	G	90.7	Very high	94.5	Very high	33 Å²	33	48 Å²	48	34%	0.34	24%	0.238	S	C	.	.	S	Bend	trans	-83.8	169.1	178.6	0	0	0	0	0	114.4	F328 N329 K337	F328-G331 PolarHBondContact O-N 3.2Å; F328-G331 VanDerWaalsContact O-N 3.09Å; N329-G331 PolarHBondContact O-N 2.92Å; G331-K337 WeakPolarHBondContact O-CE 3.36Å; G331-K337 PolarHBondContact O-NZ 3.29Å
332	T	88.7	Confident	94.6	Very high	144 Å²	144	48.3 Å²	48.3	88%	0.883	24%	0.239	S	C	*	.	S	Bend	trans	-85.5	-16	179.2	49.5	0	0	0	0	114.5	E334	T332-E334 PolarHBondContact O-N 2.97Å
333	D	91.3	Very high	94.6	Very high	58 Å²	58	48.3 Å²	48.3	31%	0.31	24%	0.239	S	C	.	.			trans	-87.5	96.8	-174.1	-176.1	-8.2	0	0	0	112	K335 K336 K337	D333-K335 PolarHBondContact O-N 2.85Å; D333-K335 VanDerWaalsContact O-N 3.11Å; D333-K335 WeakPolarHBondContact OD1-CB 3.33Å; D333-K335 PolarHBondContact OD1-N 2.6Å; D333-K336 HydrophobicContact CB-CB 4.27Å; D333-K336 HydrophobicContact CB-CD 4.37Å; D333-K336 HydrophobicContact CB-CG 4.28Å; D333-K336 PolarHBondContact O-N 2.81Å; D333-K336 WeakPolarHBondContact OD2-CG 3.4Å; D333-K336 IonicContact OD2-NZ 3.73Å; D333-K336 PolarHBondContact OD2-NZ 3.03Å; D333-K337 PolarHBondContact O-N 3.36Å
334	E	89.6	Confident	94.6	Very high	76 Å²	76	47.1 Å²	47.1	36%	0.355	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-30.6	176	-69.3	-66.8	116.6	0	0	113.9	T332 K336 K337 Y339 K401	T332-E334 PolarHBondContact O-N 2.97Å; E334-K336 VanDerWaalsContact C-N 3.3Å; E334-K336 PolarHBondContact O-N 3.35Å; E334-K337 PolarHBondContact O-N 3.44Å; E334-K337 WeakPolarHBondContact OE1-CD 3.25Å; E334-K337 VanDerWaalsContact OE1-CE 3.28Å; E334-K337 WeakPolarHBondContact OE1-CE 3.46Å; E334-K337 IonicContact OE1-NZ 2.83Å; E334-K337 PolarHBondContact OE1-NZ 3.03Å; E334-Y339 PolarHBondContact OE2-OH 2.75Å; E334-K401 WeakPolarHBondContact OE2-CE 3.39Å; E334-K401 IonicContact OE2-NZ 3.97Å; E334-K401 PolarHBondContact OE2-NZ 2.86Å
335	K	90	Very high	94.7	Very high	163 Å²	163	47.1 Å²	47.1	71%	0.709	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-24.7	177.6	-62.5	-174.6	176.9	-176.2	0	112	R300 D333 H402	R300-K335 PolarHBondContact NH1-O 3.22Å; D333-K335 PolarHBondContact O-N 2.85Å; D333-K335 VanDerWaalsContact O-N 3.11Å; D333-K335 WeakPolarHBondContact OD1-CB 3.33Å; D333-K335 PolarHBondContact OD1-N 2.6Å; K335-H402 PolarHBondContact O-CD2 3.18Å; K335-H402 VanDerWaalsContact O-CD2 3.24Å; K335-H402 PolarHBondContact O-NE2 3.15Å
336	K	91.1	Very high	94.7	Very high	113 Å²	113	47.6 Å²	47.6	49%	0.491	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-25.4	174	-70.8	-174.2	-175.9	87.5	0	112.8	R300 F328 D333 E334	R300-K336 PolarHBondContact NH2-O 2.99Å; F328-K336 HydrophobicContact CB-CB 4.43Å; F328-K336 HydrophobicContact CD1-CB 4.4Å; D333-K336 HydrophobicContact CB-CB 4.27Å; D333-K336 HydrophobicContact CB-CD 4.37Å; D333-K336 HydrophobicContact CB-CG 4.28Å; D333-K336 PolarHBondContact O-N 2.81Å; D333-K336 WeakPolarHBondContact OD2-CG 3.4Å; D333-K336 IonicContact OD2-NZ 3.73Å; D333-K336 PolarHBondContact OD2-NZ 3.03Å; E334-K336 VanDerWaalsContact C-N 3.3Å; E334-K336 PolarHBondContact O-N 3.35Å
337	K	95.4	Very high	94.7	Very high	34 Å²	34	46.1 Å²	46.1	15%	0.148	23%	0.232	C	C	.	.			trans	-60	152.4	179.8	-59.3	-167.4	-179.3	168.6	0	112.8	N329 G331 D333 E334 Y339	N329-K337 WeakPolarHBondContact OD1-CA 3.33Å; N329-K337 WeakPolarHBondContact OD1-CB 3.35Å; G331-K337 WeakPolarHBondContact O-CE 3.36Å; G331-K337 PolarHBondContact O-NZ 3.29Å; D333-K337 PolarHBondContact O-N 3.36Å; E334-K337 PolarHBondContact O-N 3.44Å; E334-K337 WeakPolarHBondContact OE1-CD 3.25Å; E334-K337 VanDerWaalsContact OE1-CE 3.28Å; E334-K337 WeakPolarHBondContact OE1-CE 3.46Å; E334-K337 IonicContact OE1-NZ 2.83Å; E334-K337 PolarHBondContact OE1-NZ 3.03Å; K337-Y339 HydrophobicContact CB-CE2 4.42Å
338	L	96.9	Very high	94.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.			trans	-139.1	110.8	175.8	-168	68.7	0	0	0	109.7	M285 Q325 N329 H402 L404	M285-L338 HydrophobicContact CG-CD2 3.61Å; M285-L338 HydrophobicContact SD-CD2 3.82Å; Q325-L338 HydrophobicContact CB-CB 4.44Å; Q325-L338 HydrophobicContact CG-CB 4.16Å; Q325-L338 HydrophobicContact CG-CD2 3.87Å; Q325-L338 HydrophobicContact CG-CG 4.43Å; N329-L338 PolarHBondContact ND2-O 3.39Å; N329-L338 PolarHBondContact OD1-N 3.39Å; L338-H402 WeakPolarHBondContact CA-O 3.21Å; L338-H402 HydrophobicContact CD1-CB 3.67Å; L338-L404 HydrophobicContact CD1-CB 4.4Å; L338-L404 HydrophobicContact CD2-CB 3.87Å; L338-L404 HydrophobicContact CD2-CD2 4.3Å; L338-L404 HydrophobicContact CG-CB 3.99Å
339	Y	98.3	Very high	94.9	Very high	19 Å²	19	52.9 Å²	52.9	8%	0.075	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.3	179.1	-64.6	-88.5	0	0	0	110.4	L243 E334 K337 F396 K401 H402 A403 L404	L243-Y339 HydrophobicContact CD1-CD1 3.73Å; L243-Y339 HydrophobicContact CD1-CE1 3.61Å; L243-Y339 HydrophobicContact CD2-CD1 3.8Å; L243-Y339 HydrophobicContact CG-CD1 4.45Å; E334-Y339 PolarHBondContact OE2-OH 2.75Å; K337-Y339 HydrophobicContact CB-CE2 4.42Å; Y339-F396 HydrophobicContact CD1-CD1 4.08Å; Y339-F396 AromaticContact CD1-CE1 3.68Å; Y339-F396 HydrophobicContact CD1-CE1 3.68Å; Y339-F396 HydrophobicContact CD1-CZ 4.27Å; Y339-F396 AromaticContact CD2-CD1 3.62Å; Y339-F396 HydrophobicContact CD2-CD1 3.62Å; Y339-F396 HydrophobicContact CD2-CE1 4.09Å; Y339-F396 HydrophobicContact CD2-CG 4.27Å; Y339-F396 HydrophobicContact CE1-CD1 4.5Å; Y339-F396 HydrophobicContact CE1-CE1 4.06Å; Y339-F396 HydrophobicContact CE2-CD1 4.11Å; Y339-F396 HydrophobicContact CE2-CE1 4.47Å; Y339-F396 AromaticContact CG-CD1 3.59Å; Y339-F396 HydrophobicContact CG-CD1 3.59Å; Y339-F396 AromaticContact CG-CE1 3.66Å; Y339-F396 HydrophobicContact CG-CE1 3.66Å; Y339-F396 HydrophobicContact CG-CG 4.2Å; Y339-F396 HydrophobicContact CG-CZ 4.32Å; Y339-K401 HydrophobicContact CD2-CB 4.34Å; Y339-K401 HydrophobicContact CD2-CD 4.49Å; Y339-K401 HydrophobicContact CE2-CB 4.17Å; Y339-K401 HydrophobicContact CE2-CD 3.7Å; Y339-K401 HydrophobicContact CE2-CG 4.27Å; Y339-K401 PolarHBondContact OH-NZ 2.71Å; Y339-H402 WeakPolarHBondContact CD2-O 3.34Å; Y339-H402 PolarHBondContact N-O 3.22Å; Y339-A403 CarbonylContact O-C 3.55Å; Y339-A403 WeakPolarHBondContact O-CA 3.33Å; Y339-L404 PolarHBondContact O-N 3.35Å
340	C	98.6	Very high	95	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.007	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139.1	-171.5	-68.8	0	0	0	0	111.6	I322 Y367 T368 I369 L404	I322-C340 HydrophobicContact CG1-CB 4.11Å; I322-C340 HydrophobicContact CG2-CB 4.1Å; C340-Y367 HydrophobicContact CB-CD2 4.28Å; C340-Y367 PolarHBondContact N-O 3.32Å; C340-T368 HydrophobicContact CB-CG2 3.93Å; C340-T368 CarbonylContact O-C 3.55Å; C340-T368 VanDerWaalsContact O-CA 3.27Å; C340-T368 WeakPolarHBondContact O-CA 3.25Å; C340-I369 PolarHBondContact O-N 2.6Å; C340-L404 CarbonylContact C-O 3.02Å; C340-L404 WeakPolarHBondContact CA-O 3.41Å
341	I	98.8	Very high	95.1	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	116.6	172.8	-57.6	88.5	0	0	0	107.4	V343 I369 V371 A403 L404 I405 I406	I341-V343 HydrophobicContact CG2-CG2 4.19Å; I341-I369 WeakPolarHBondContact CA-O 3.45Å; I341-I369 HydrophobicContact CG1-CB 4.33Å; I341-I369 HydrophobicContact CG1-CD1 4.22Å; I341-I369 HydrophobicContact CG1-CG1 4.46Å; I341-V371 HydrophobicContact CG2-CG2 4.28Å; I341-A403 HydrophobicContact CD1-CB 3.97Å; I341-L404 PolarHBondContact N-O 2.98Å; I341-I405 HydrophobicContact CB-CB 4.28Å; I341-I405 HydrophobicContact CB-CD1 4.25Å; I341-I405 HydrophobicContact CB-CG1 4.06Å; I341-I405 HydrophobicContact CG2-CD1 3.96Å; I341-I405 HydrophobicContact CG2-CG1 4.12Å; I341-I405 CarbonylContact O-C 3.52Å; I341-I405 WeakPolarHBondContact O-CA 3.5Å; I341-I406 PolarHBondContact O-N 3.17Å
342	Y	98.7	Very high	95.4	Very high	6 Å²	6	52.6 Å²	52.6	2%	0.024	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.1	175.2	-174.7	-82.3	0	0	0	109.6	T315 I322 A344 L355 I369 V370 V371 I406 D408	T315-Y342 HydrophobicContact CG2-CE2 4.41Å; T315-Y342 VanDerWaalsContact CG2-OH 3.32Å; T315-Y342 WeakPolarHBondContact CG2-OH 3.13Å; I322-Y342 HydrophobicContact CD1-CD2 4.14Å; Y342-A344 HydrophobicContact CD1-CB 4.44Å; Y342-A344 HydrophobicContact CE1-CB 3.99Å; Y342-L355 HydrophobicContact CD1-CD1 4.2Å; Y342-L355 HydrophobicContact CD1-CD2 4.15Å; Y342-L355 HydrophobicContact CD2-CD1 4.3Å; Y342-L355 HydrophobicContact CE1-CD1 3.57Å; Y342-L355 HydrophobicContact CE1-CD2 4.3Å; Y342-L355 HydrophobicContact CE2-CD1 3.67Å; Y342-L355 HydrophobicContact CG-CD2 4.34Å; Y342-L355 WeakPolarHBondContact OH-CD1 3.22Å; Y342-I369 PolarHBondContact N-O 3.41Å; Y342-V370 HydrophobicContact CD1-CG1 4.42Å; Y342-V370 WeakPolarHBondContact O-CA 3.48Å; Y342-V371 PolarHBondContact O-N 3.47Å; Y342-I406 HydrophobicContact CD2-CB 4.03Å; Y342-I406 HydrophobicContact CD2-CD1 4.4Å; Y342-I406 HydrophobicContact CD2-CG2 3.68Å; Y342-I406 HydrophobicContact CE2-CG2 3.69Å; Y342-D408 HydrophobicContact CE1-CB 4.41Å; Y342-D408 HydrophobicContact CE2-CB 4.24Å; Y342-D408 VanDerWaalsContact OH-CB 3.23Å; Y342-D408 WeakPolarHBondContact OH-CB 3.3Å; Y342-D408 PolarHBondContact OH-OD2 3.35Å
343	V	98.8	Very high	95.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	107.4	177.7	-168.6	0	0	0	0	109.5	I341 I345 V371 A385 P386 I405 I406 Y407 D408	I341-V343 HydrophobicContact CG2-CG2 4.19Å; V343-I345 HydrophobicContact CG1-CD1 4.37Å; V343-I345 HydrophobicContact CG1-CG1 3.83Å; V343-V371 CarbonylContact C-O 3.6Å; V343-V371 WeakPolarHBondContact CA-O 3.47Å; V343-V371 HydrophobicContact CG1-CB 4.27Å; V343-V371 HydrophobicContact CG1-CG1 4.37Å; V343-V371 HydrophobicContact CG2-CB 4.31Å; V343-A385 HydrophobicContact CG1-CB 3.92Å; V343-P386 HydrophobicContact CG1-CG 4.35Å; V343-I405 HydrophobicContact CG2-CD1 3.95Å; V343-I405 HydrophobicContact CG2-CG1 4.13Å; V343-I406 WeakPolarHBondContact CB-O 3.36Å; V343-I406 PolarHBondContact N-O 3.18Å; V343-Y407 HydrophobicContact CB-CD1 4.13Å; V343-Y407 HydrophobicContact CG2-CD1 3.95Å; V343-Y407 HydrophobicContact CG2-CE1 4.27Å; V343-D408 PolarHBondContact O-N 3Å
344	A	98.3	Very high	96	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.9	170.3	0	0	0	0	0	110	Y342 Q347 V352 V371 A373	Y342-A344 HydrophobicContact CD1-CB 4.44Å; Y342-A344 HydrophobicContact CE1-CB 3.99Å; A344-Q347 HydrophobicContact CB-CB 4.34Å; A344-Q347 HydrophobicContact CB-CG 4.11Å; A344-V352 HydrophobicContact CB-CG1 4.48Å; A344-V352 HydrophobicContact CB-CG2 3.68Å; A344-V371 PolarHBondContact N-O 3.23Å; A344-A373 PolarHBondContact O-N 3.16Å
345	I	98.3	Very high	96.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.4	-175.4	-49.2	156.5	0	0	0	107.9	V343 Q347 A373 Q382 P386 D408 D409 L410 K412 Q413	V343-I345 HydrophobicContact CG1-CD1 4.37Å; V343-I345 HydrophobicContact CG1-CG1 3.83Å; I345-Q347 PolarHBondContact O-N 3.44Å; I345-A373 CarbonylContact C-O 3.53Å; I345-Q382 HydrophobicContact CG2-CB 4.36Å; I345-P386 HydrophobicContact CD1-CG 3.55Å; I345-P386 HydrophobicContact CG1-CG 3.91Å; I345-D408 PolarHBondContact N-O 3.02Å; I345-D409 WeakPolarHBondContact CD1-O 3.46Å; I345-L410 HydrophobicContact CD1-CD2 4.07Å; I345-K412 HydrophobicContact CG2-CB 4.09Å; I345-K412 WeakPolarHBondContact O-CD 3.39Å; I345-Q413 HydrophobicContact CG2-CB 4.22Å
346	G	96.1	Very high	96.7	Very high	12 Å²	12	41.4 Å²	41.4	12%	0.124	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.4	23.5	179.6	0	0	0	0	0	114.4	A373 Q382	G346-A373 PolarHBondContact N-O 2.9Å; G346-Q382 VanDerWaalsContact CA-OE1 3.24Å
347	Q	95.9	Very high	96.9	Very high	27 Å²	27	42.2 Å²	42.2	13%	0.126	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	158.4	-180	-60	-61.2	-18	0	0	111.2	A344 I345 V352 T374 A375 D408	A344-Q347 HydrophobicContact CB-CB 4.34Å; A344-Q347 HydrophobicContact CB-CG 4.11Å; I345-Q347 PolarHBondContact O-N 3.44Å; Q347-V352 HydrophobicContact CB-CG2 3.97Å; Q347-T374 CarbonylContact O-C 3.55Å; Q347-T374 VanDerWaalsContact O-CA 3.24Å; Q347-T374 WeakPolarHBondContact O-CA 3.45Å; Q347-T374 VanDerWaalsContact O-CB 3.25Å; Q347-T374 WeakPolarHBondContact O-CB 3.41Å; Q347-A375 PolarHBondContact O-N 2.92Å; Q347-D408 WeakPolarHBondContact CG-O 3.27Å; Q347-D408 VanDerWaalsContact NE2-C 3.28Å; Q347-D408 PolarHBondContact NE2-O 3.16Å; Q347-D408 PolarHBondContact NE2-OD1 2.8Å
348	K	95.8	Very high	97	Very high	147 Å²	147	45.2 Å²	45.2	64%	0.639	23%	0.225	S	C	*	.			trans	-71.1	134.5	172.7	-64.9	-173.6	179.8	-175.2	0	110	S350 T351 V352	K348-S350 PolarHBondContact O-N 2.83Å; K348-S350 VanDerWaalsContact O-N 3.15Å; K348-T351 WeakPolarHBondContact O-CA 3.44Å; K348-T351 WeakPolarHBondContact O-CB 3.36Å; K348-T351 PolarHBondContact O-N 3.1Å; K348-V352 PolarHBondContact O-N 3.16Å; K348-V352 VanDerWaalsContact O-N 3.15Å
349	R	94.6	Very high	97	Very high	154 Å²	154	45.2 Å²	45.2	58%	0.581	23%	0.225	S	C	*	.	H	α-helix	trans	-54.3	-35.7	-179.4	-167.6	175.3	-68.9	179.5	-2.9	113.1	V352 A353 T374 D377	R349-V352 PolarHBondContact O-N 2.93Å; R349-A353 WeakPolarHBondContact O-CB 3.37Å; R349-A353 PolarHBondContact O-N 3.08Å; R349-T374 HydrophobicContact CB-CG2 4.1Å; R349-T374 HydrophobicContact CG-CG2 4.33Å; R349-D377 IonicContact NH2-OD1 2.96Å; R349-D377 PolarHBondContact NH2-OD1 3.5Å
350	S	96	Very high	96.9	Very high	74 Å²	74	48 Å²	48	52%	0.517	24%	0.244	S	C	.	.	H	α-helix	trans	-66	-35.9	173.9	50.8	0	0	0	0	113.8	K348 A353 Q354	K348-S350 PolarHBondContact O-N 2.83Å; K348-S350 VanDerWaalsContact O-N 3.15Å; S350-A353 PolarHBondContact O-N 2.7Å; S350-Q354 WeakPolarHBondContact O-CG 3.47Å; S350-Q354 PolarHBondContact O-N 3.33Å
351	T	95.3	Very high	96.8	Very high	64 Å²	64	53.4 Å²	53.4	39%	0.393	27%	0.273	S	S	.	.	H	α-helix	trans	-67.3	-41.8	174.4	-54.2	0	0	0	0	111.1	K348 Q354 L355	K348-T351 WeakPolarHBondContact O-CA 3.44Å; K348-T351 WeakPolarHBondContact O-CB 3.36Å; K348-T351 PolarHBondContact O-N 3.1Å; T351-Q354 PolarHBondContact O-N 3.2Å; T351-L355 WeakPolarHBondContact O-CB 2.86Å; T351-L355 PolarHBondContact O-N 3.38Å
352	V	96.4	Very high	96.7	Very high	12 Å²	12	54.8 Å²	54.8	7%	0.073	28%	0.284	C	S	.	.	H	α-helix	trans	-63.6	-44.5	175	-176.1	0	0	0	0	110.8	A344 Q347 K348 R349 Q354 L355 V356 V370	A344-V352 HydrophobicContact CB-CG1 4.48Å; A344-V352 HydrophobicContact CB-CG2 3.68Å; Q347-V352 HydrophobicContact CB-CG2 3.97Å; K348-V352 PolarHBondContact O-N 3.16Å; K348-V352 VanDerWaalsContact O-N 3.15Å; R349-V352 PolarHBondContact O-N 2.93Å; V352-Q354 PolarHBondContact O-N 3.18Å; V352-L355 WeakPolarHBondContact O-CB 3.46Å; V352-L355 PolarHBondContact O-N 3.19Å; V352-L355 VanDerWaalsContact O-N 3.15Å; V352-V356 HydrophobicContact CG1-CG2 4.4Å; V352-V356 WeakPolarHBondContact O-CG2 3.47Å; V352-V356 PolarHBondContact O-N 2.82Å; V352-V370 HydrophobicContact CG1-CG1 4.31Å
353	A	96.3	Very high	96.5	Very high	62 Å²	62	56.9 Å²	56.9	51%	0.512	30%	0.296	S	S	.	.	H	α-helix	trans	-61.2	-41	176.1	0	0	0	0	0	112.9	R349 S350 L355 K357	R349-A353 WeakPolarHBondContact O-CB 3.37Å; R349-A353 PolarHBondContact O-N 3.08Å; S350-A353 PolarHBondContact O-N 2.7Å; A353-L355 VanDerWaalsContact C-N 3.34Å; A353-L355 PolarHBondContact O-N 3.4Å; A353-K357 WeakPolarHBondContact O-CB 3.44Å; A353-K357 PolarHBondContact O-N 2.81Å
354	Q	96.5	Very high	96.5	Very high	108 Å²	108	56.9 Å²	56.9	51%	0.505	30%	0.296	S	S	.	.	H	α-helix	trans	-64.5	-36.4	173.7	-74.6	177.9	8.1	0	0	112.6	S350 T351 V352 R358	S350-Q354 WeakPolarHBondContact O-CG 3.47Å; S350-Q354 PolarHBondContact O-N 3.33Å; T351-Q354 PolarHBondContact O-N 3.2Å; V352-Q354 PolarHBondContact O-N 3.18Å; Q354-R358 WeakPolarHBondContact O-CG 3.45Å; Q354-R358 PolarHBondContact O-N 2.85Å
355	L	96.7	Very high	96.4	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-68.4	-48.6	176.8	-176.5	153.2	0	0	0	111.5	T315 I319 Y342 T351 V352 A353 K357 R358 L359	T315-L355 HydrophobicContact CG2-CD1 4.1Å; I319-L355 HydrophobicContact CD1-CD1 3.83Å; I319-L355 HydrophobicContact CD1-CG 3.96Å; I319-L355 HydrophobicContact CG1-CD1 4.05Å; I319-L355 HydrophobicContact CG1-CG 4.21Å; Y342-L355 HydrophobicContact CD1-CD1 4.2Å; Y342-L355 HydrophobicContact CD1-CD2 4.15Å; Y342-L355 HydrophobicContact CD2-CD1 4.3Å; Y342-L355 HydrophobicContact CE1-CD1 3.57Å; Y342-L355 HydrophobicContact CE1-CD2 4.3Å; Y342-L355 HydrophobicContact CE2-CD1 3.67Å; Y342-L355 HydrophobicContact CG-CD2 4.34Å; Y342-L355 WeakPolarHBondContact OH-CD1 3.22Å; T351-L355 WeakPolarHBondContact O-CB 2.86Å; T351-L355 PolarHBondContact O-N 3.38Å; V352-L355 WeakPolarHBondContact O-CB 3.46Å; V352-L355 PolarHBondContact O-N 3.19Å; V352-L355 VanDerWaalsContact O-N 3.15Å; A353-L355 VanDerWaalsContact C-N 3.34Å; A353-L355 PolarHBondContact O-N 3.4Å; L355-K357 VanDerWaalsContact C-N 3.26Å; L355-K357 PolarHBondContact O-N 2.87Å; L355-R358 PolarHBondContact O-N 2.84Å; L355-R358 VanDerWaalsContact O-N 3.13Å; L355-L359 HydrophobicContact CD2-CD1 3.64Å; L355-L359 HydrophobicContact CD2-CG 4.2Å; L355-L359 WeakPolarHBondContact O-CG 3.48Å; L355-L359 PolarHBondContact O-N 3.11Å
356	V	97.1	Very high	96.3	Very high	29 Å²	29	63.4 Å²	63.4	18%	0.176	33%	0.325	C	S	.	.	H	α-helix	trans	-58.3	-40.5	174.7	173.7	0	0	0	0	110.5	V246 V352 L359 T360 M365 V370	V246-V356 HydrophobicContact CG2-CG1 4.07Å; V246-V356 HydrophobicContact CG2-CG2 3.87Å; V352-V356 HydrophobicContact CG1-CG2 4.4Å; V352-V356 WeakPolarHBondContact O-CG2 3.47Å; V352-V356 PolarHBondContact O-N 2.82Å; V356-L359 PolarHBondContact O-N 2.82Å; V356-T360 WeakPolarHBondContact O-CB 3.45Å; V356-T360 PolarHBondContact O-N 3.27Å; V356-T360 PolarHBondContact O-OG1 2.81Å; V356-M365 HydrophobicContact CG1-SD 4.36Å; V356-V370 HydrophobicContact CG2-CB 4.42Å; V356-V370 HydrophobicContact CG2-CG1 4.16Å; V356-V370 HydrophobicContact CG2-CG2 4.2Å
357	K	97	Very high	96.4	Very high	129 Å²	129	63.3 Å²	63.3	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-60.2	-52.3	172.5	179.7	170.5	177.7	176.2	0	111.6	A353 L355 L359 T360 D361	A353-K357 WeakPolarHBondContact O-CB 3.44Å; A353-K357 PolarHBondContact O-N 2.81Å; L355-K357 VanDerWaalsContact C-N 3.26Å; L355-K357 PolarHBondContact O-N 2.87Å; K357-L359 VanDerWaalsContact C-N 3.29Å; K357-L359 PolarHBondContact O-N 2.95Å; K357-T360 CarbonylContact O-C 3.55Å; K357-T360 WeakPolarHBondContact O-CA 3.06Å; K357-T360 WeakPolarHBondContact O-CB 3.28Å; K357-T360 PolarHBondContact O-N 3.42Å; K357-D361 WeakPolarHBondContact CE-OD1 3.36Å; K357-D361 WeakPolarHBondContact CE-OD2 3.3Å; K357-D361 WeakPolarHBondContact CG-OD2 3.29Å; K357-D361 VanDerWaalsContact O-CG 3.27Å; K357-D361 PolarHBondContact O-N 2.98Å
358	R	96.4	Very high	96.5	Very high	98 Å²	98	62 Å²	62	37%	0.37	31%	0.314	S	S	.	.	H	α-helix	trans	-57.4	-40.3	179.1	-72.7	176.1	-164.5	154.9	13.6	112.8	Q354 L355 T360 A362 Y572	Q354-R358 WeakPolarHBondContact O-CG 3.45Å; Q354-R358 PolarHBondContact O-N 2.85Å; L355-R358 PolarHBondContact O-N 2.84Å; L355-R358 VanDerWaalsContact O-N 3.13Å; R358-T360 VanDerWaalsContact C-N 3.27Å; R358-T360 PolarHBondContact O-N 3.16Å; R358-A362 VanDerWaalsContact O-CB 3.24Å; R358-A362 WeakPolarHBondContact O-CB 3.41Å; R358-A362 PolarHBondContact O-N 3.05Å; R358-Y572 PolarHBondContact NH1-OH 3.04Å
359	L	97.1	Very high	96.6	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-69.7	-23.4	174.6	-66.5	-177.8	0	0	0	113	I319 I322 I323 L355 V356 K357 D363 A364 M365 T368	I319-L359 HydrophobicContact CG2-CD2 4.09Å; I322-L359 HydrophobicContact CB-CD2 4.23Å; I322-L359 HydrophobicContact CD1-CD1 4.42Å; I322-L359 HydrophobicContact CG2-CD2 3.73Å; I323-L359 HydrophobicContact CG1-CD2 4.21Å; L355-L359 HydrophobicContact CD2-CD1 3.64Å; L355-L359 HydrophobicContact CD2-CG 4.2Å; L355-L359 WeakPolarHBondContact O-CG 3.48Å; L355-L359 PolarHBondContact O-N 3.11Å; V356-L359 PolarHBondContact O-N 2.82Å; K357-L359 VanDerWaalsContact C-N 3.29Å; K357-L359 PolarHBondContact O-N 2.95Å; L359-D363 PolarHBondContact O-N 2.81Å; L359-A364 HydrophobicContact CB-CB 4.46Å; L359-A364 HydrophobicContact CD2-CB 4.06Å; L359-A364 WeakPolarHBondContact O-CA 3.37Å; L359-A364 PolarHBondContact O-N 2.92Å; L359-M365 HydrophobicContact CB-CG 3.8Å; L359-M365 HydrophobicContact CB-SD 3.68Å; L359-M365 HydrophobicContact CD1-SD 4.03Å; L359-M365 PolarHBondContact O-N 3.1Å; L359-T368 HydrophobicContact CD1-CG2 4.05Å
360	T	96.7	Very high	96.8	Very high	78 Å²	78	47.7 Å²	47.7	48%	0.479	26%	0.257	S	S	.	.	H	α-helix	trans	-80.4	-46	173.5	-53.7	0	0	0	0	110.8	V356 K357 R358 A362 D363 M365	V356-T360 WeakPolarHBondContact O-CB 3.45Å; V356-T360 PolarHBondContact O-N 3.27Å; V356-T360 PolarHBondContact O-OG1 2.81Å; K357-T360 CarbonylContact O-C 3.55Å; K357-T360 WeakPolarHBondContact O-CA 3.06Å; K357-T360 WeakPolarHBondContact O-CB 3.28Å; K357-T360 PolarHBondContact O-N 3.42Å; R358-T360 VanDerWaalsContact C-N 3.27Å; R358-T360 PolarHBondContact O-N 3.16Å; T360-A362 PolarHBondContact O-N 2.72Å; T360-D363 WeakPolarHBondContact O-CA 3.16Å; T360-D363 PolarHBondContact O-N 2.87Å; T360-M365 WeakPolarHBondContact OG1-CG 3.39Å
361	D	96.5	Very high	96.9	Very high	113 Å²	113	44.2 Å²	44.2	60%	0.604	23%	0.232	S	C	*	.	H	α-helix	trans	-60.5	-34.9	176	-60.8	-16.6	0	0	0	111.3	K357 D363	K357-D361 WeakPolarHBondContact CE-OD1 3.36Å; K357-D361 WeakPolarHBondContact CE-OD2 3.3Å; K357-D361 WeakPolarHBondContact CG-OD2 3.29Å; K357-D361 VanDerWaalsContact O-CG 3.27Å; K357-D361 PolarHBondContact O-N 2.98Å; D361-D363 VanDerWaalsContact C-N 3.34Å
362	A	95.5	Very high	97.1	Very high	30 Å²	30	41.4 Å²	41.4	25%	0.248	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	0.9	172.8	0	0	0	0	0	114.3	I323 R358 T360 A364	I323-A362 HydrophobicContact CD1-CB 3.83Å; I323-A362 HydrophobicContact CG1-CB 3.88Å; I323-A362 HydrophobicContact CG2-CB 4.26Å; R358-A362 VanDerWaalsContact O-CB 3.24Å; R358-A362 WeakPolarHBondContact O-CB 3.41Å; R358-A362 PolarHBondContact O-N 3.05Å; T360-A362 PolarHBondContact O-N 2.72Å; A362-A364 PolarHBondContact O-N 2.99Å; A362-A364 VanDerWaalsContact O-N 3.16Å
363	D	96.3	Very high	97.1	Very high	50 Å²	50	40.9 Å²	40.9	27%	0.267	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	23.8	179.2	-172.6	42.1	0	0	0	114.2	K326 L359 T360 D361 K366	K326-D363 WeakPolarHBondContact CE-OD2 3.4Å; K326-D363 IonicContact NZ-OD2 3.55Å; K326-D363 PolarHBondContact NZ-OD2 3.15Å; L359-D363 PolarHBondContact O-N 2.81Å; T360-D363 WeakPolarHBondContact O-CA 3.16Å; T360-D363 PolarHBondContact O-N 2.87Å; D361-D363 VanDerWaalsContact C-N 3.34Å; D363-K366 VanDerWaalsContact OD1-CD 3.3Å; D363-K366 WeakPolarHBondContact OD1-CD 3.48Å; D363-K366 WeakPolarHBondContact OD1-CE 3.45Å; D363-K366 IonicContact OD1-NZ 2.96Å; D363-K366 PolarHBondContact OD1-NZ 2.75Å; D363-K366 IonicContact OD2-NZ 2.72Å; D363-K366 PolarHBondContact OD2-NZ 2.76Å
364	A	97.3	Very high	97.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.			trans	-87.4	-16.6	179.4	0	0	0	0	0	113.9	I322 I323 L359 A362 K366 Y367 T368	I322-A364 HydrophobicContact CG2-CB 4.15Å; I323-A364 HydrophobicContact CG1-CB 4.42Å; L359-A364 HydrophobicContact CB-CB 4.46Å; L359-A364 HydrophobicContact CD2-CB 4.06Å; L359-A364 WeakPolarHBondContact O-CA 3.37Å; L359-A364 PolarHBondContact O-N 2.92Å; A362-A364 PolarHBondContact O-N 2.99Å; A362-A364 VanDerWaalsContact O-N 3.16Å; A364-K366 PolarHBondContact O-N 2.72Å; A364-Y367 HydrophobicContact CB-CE1 4.3Å; A364-Y367 HydrophobicContact CB-CE2 4.3Å; A364-Y367 VanDerWaalsContact CB-OH 3.28Å; A364-Y367 WeakPolarHBondContact CB-OH 3.49Å; A364-Y367 PolarHBondContact O-N 2.91Å; A364-T368 PolarHBondContact O-OG1 2.92Å
365	M	96.9	Very high	97	Very high	13 Å²	13	35.8 Å²	35.8	6%	0.064	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-59.8	-28.1	177.1	-77.9	-56.8	-58.1	0	0	113.1	G244 V356 L359 T360 Y367 T368 V370	G244-M365 WeakPolarHBondContact CA-O 3.46Å; G244-M365 PolarHBondContact N-O 2.84Å; G244-M365 VanDerWaalsContact N-O 3.1Å; V356-M365 HydrophobicContact CG1-SD 4.36Å; L359-M365 HydrophobicContact CB-CG 3.8Å; L359-M365 HydrophobicContact CB-SD 3.68Å; L359-M365 HydrophobicContact CD1-SD 4.03Å; L359-M365 PolarHBondContact O-N 3.1Å; T360-M365 WeakPolarHBondContact OG1-CG 3.39Å; M365-Y367 PolarHBondContact O-N 3.3Å; M365-T368 PolarHBondContact O-N 2.74Å; M365-V370 HydrophobicContact CE-CG2 4.06Å; M365-V370 HydrophobicContact SD-CG2 4.14Å
366	K	96.4	Very high	96.7	Very high	125 Å²	125	40.1 Å²	40.1	54%	0.543	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-48.8	-30.9	178.8	-75.9	171.9	170.8	160	0	114.7	D363 A364	D363-K366 VanDerWaalsContact OD1-CD 3.3Å; D363-K366 WeakPolarHBondContact OD1-CD 3.48Å; D363-K366 WeakPolarHBondContact OD1-CE 3.45Å; D363-K366 IonicContact OD1-NZ 2.96Å; D363-K366 PolarHBondContact OD1-NZ 2.75Å; D363-K366 IonicContact OD2-NZ 2.72Å; D363-K366 PolarHBondContact OD2-NZ 2.76Å; A364-K366 PolarHBondContact O-N 2.72Å
367	Y	97.4	Very high	96.6	Very high	9 Å²	9	40.7 Å²	40.7	4%	0.035	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-123.2	13.6	-178.5	55.1	-99.8	0	0	0	112.8	I322 Q325 K326 N329 C340 A364 M365	I322-Y367 HydrophobicContact CG2-CE2 4.07Å; I322-Y367 PolarHBondContact O-OH 3.31Å; Q325-Y367 HydrophobicContact CB-CE2 3.99Å; K326-Y367 HydrophobicContact CB-CE1 4.15Å; K326-Y367 PolarHBondContact N-OH 2.85Å; K326-Y367 VanDerWaalsContact N-OH 3.1Å; N329-Y367 HydrophobicContact CB-CD1 3.7Å; N329-Y367 HydrophobicContact CB-CE1 4.05Å; N329-Y367 HydrophobicContact CB-CG 4.13Å; N329-Y367 WeakPolarHBondContact ND2-CB 3.38Å; N329-Y367 WeakPolarHBondContact ND2-CD1 3.29Å; N329-Y367 WeakPolarHBondContact ND2-CD2 3.23Å; C340-Y367 HydrophobicContact CB-CD2 4.28Å; C340-Y367 PolarHBondContact N-O 3.32Å; A364-Y367 HydrophobicContact CB-CE1 4.3Å; A364-Y367 HydrophobicContact CB-CE2 4.3Å; A364-Y367 VanDerWaalsContact CB-OH 3.28Å; A364-Y367 WeakPolarHBondContact CB-OH 3.49Å; A364-Y367 PolarHBondContact O-N 2.91Å; M365-Y367 PolarHBondContact O-N 3.3Å
368	T	98.5	Very high	96.4	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.4	-176.5	-53	0	0	0	0	111.7	G244 I322 C340 L359 A364 M365 V370	G244-T368 PolarHBondContact N-O 3.23Å; I322-T368 WeakPolarHBondContact CG2-OG1 3.37Å; C340-T368 HydrophobicContact CB-CG2 3.93Å; C340-T368 CarbonylContact O-C 3.55Å; C340-T368 VanDerWaalsContact O-CA 3.27Å; C340-T368 WeakPolarHBondContact O-CA 3.25Å; L359-T368 HydrophobicContact CD1-CG2 4.05Å; A364-T368 PolarHBondContact O-OG1 2.92Å; M365-T368 PolarHBondContact O-N 2.74Å; T368-V370 HydrophobicContact CG2-CG2 4.23Å
369	I	98.4	Very high	96.2	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	134.1	165.8	-47.8	179.2	0	0	0	107.7	L242 L243 V247 C340 I341 Y342 V371 M392 F396	L242-I369 HydrophobicContact CB-CD1 3.78Å; L242-I369 HydrophobicContact CB-CG1 4.14Å; L242-I369 HydrophobicContact CB-CG2 4.19Å; L243-I369 HydrophobicContact CD2-CD1 4.38Å; L243-I369 HydrophobicContact CD2-CG1 3.92Å; V247-I369 HydrophobicContact CG2-CG2 4.46Å; C340-I369 PolarHBondContact O-N 2.6Å; I341-I369 WeakPolarHBondContact CA-O 3.45Å; I341-I369 HydrophobicContact CG1-CB 4.33Å; I341-I369 HydrophobicContact CG1-CD1 4.22Å; I341-I369 HydrophobicContact CG1-CG1 4.46Å; Y342-I369 PolarHBondContact N-O 3.41Å; I369-V371 HydrophobicContact CG2-CG2 4.38Å; I369-M392 HydrophobicContact CD1-CB 4.22Å; I369-M392 HydrophobicContact CG2-SD 4.21Å; I369-F396 HydrophobicContact CD1-CE2 3.96Å; I369-F396 HydrophobicContact CD1-CZ 4.36Å
370	V	98.6	Very high	96.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.8	172.2	-178.7	0	0	0	0	109.7	R245 V246 V247 Y342 V352 V356 M365 T368	R245-V370 PolarHBondContact O-N 3.18Å; R245-V370 VanDerWaalsContact O-N 3.16Å; V246-V370 CarbonylContact C-O 3.56Å; V246-V370 WeakPolarHBondContact CA-O 3.5Å; V246-V370 HydrophobicContact CG1-CB 4.11Å; V246-V370 HydrophobicContact CG1-CG1 4.03Å; V246-V370 HydrophobicContact CG2-CB 4.3Å; V247-V370 PolarHBondContact N-O 3.17Å; Y342-V370 HydrophobicContact CD1-CG1 4.42Å; Y342-V370 WeakPolarHBondContact O-CA 3.48Å; V352-V370 HydrophobicContact CG1-CG1 4.31Å; V356-V370 HydrophobicContact CG2-CB 4.42Å; V356-V370 HydrophobicContact CG2-CG1 4.16Å; V356-V370 HydrophobicContact CG2-CG2 4.2Å; M365-V370 HydrophobicContact CE-CG2 4.06Å; M365-V370 HydrophobicContact SD-CG2 4.14Å; T368-V370 HydrophobicContact CG2-CG2 4.23Å
371	V	98.5	Very high	96	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.1	173.4	-174.8	0	0	0	0	108	V247 I341 Y342 V343 A344 I369 A385 M392	V247-V371 HydrophobicContact CG2-CB 4.4Å; V247-V371 HydrophobicContact CG2-CG2 3.91Å; V247-V371 CarbonylContact O-C 3.35Å; V247-V371 WeakPolarHBondContact O-CA 3.32Å; I341-V371 HydrophobicContact CG2-CG2 4.28Å; Y342-V371 PolarHBondContact O-N 3.47Å; V343-V371 CarbonylContact C-O 3.6Å; V343-V371 WeakPolarHBondContact CA-O 3.47Å; V343-V371 HydrophobicContact CG1-CB 4.27Å; V343-V371 HydrophobicContact CG1-CG1 4.37Å; V343-V371 HydrophobicContact CG2-CB 4.31Å; A344-V371 PolarHBondContact N-O 3.23Å; I369-V371 HydrophobicContact CG2-CG2 4.38Å; V371-A385 HydrophobicContact CG1-CB 4.13Å; V371-M392 HydrophobicContact CG2-SD 3.66Å
372	S	97.8	Very high	96	Very high	5 Å²	5	25.5 Å²	25.5	4%	0.035	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	112.1	-171.8	172.3	0	0	0	0	112.6	V247 T374	V247-S372 PolarHBondContact O-N 3.47Å; S372-T374 WeakPolarHBondContact OG-CG2 3.49Å
373	A	97.3	Very high	96	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.017	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	102	158.8	0	0	0	0	0	108.2	A344 I345 G346 L381 Q382 A385	A344-A373 PolarHBondContact O-N 3.16Å; I345-A373 CarbonylContact C-O 3.53Å; G346-A373 PolarHBondContact N-O 2.9Å; A373-L381 HydrophobicContact CB-CB 4.3Å; A373-L381 WeakPolarHBondContact CB-O 3.49Å; A373-Q382 HydrophobicContact CB-CB 4.41Å; A373-Q382 HydrophobicContact CB-CG 4.04Å; A373-A385 HydrophobicContact CB-CB 3.8Å
374	T	96.1	Very high	96	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	167.2	-175.5	72.8	0	0	0	0	111.8	Q347 R349 S372 S376 D377 Q382	Q347-T374 CarbonylContact O-C 3.55Å; Q347-T374 VanDerWaalsContact O-CA 3.24Å; Q347-T374 WeakPolarHBondContact O-CA 3.45Å; Q347-T374 VanDerWaalsContact O-CB 3.25Å; Q347-T374 WeakPolarHBondContact O-CB 3.41Å; R349-T374 HydrophobicContact CB-CG2 4.1Å; R349-T374 HydrophobicContact CG-CG2 4.33Å; S372-T374 WeakPolarHBondContact OG-CG2 3.49Å; T374-S376 PolarHBondContact O-N 2.82Å; T374-S376 PolarHBondContact OG1-N 3.05Å; T374-D377 WeakPolarHBondContact CA-OD2 3.34Å; T374-D377 VanDerWaalsContact CB-OD2 3.27Å; T374-D377 WeakPolarHBondContact CB-OD2 3.42Å; T374-D377 PolarHBondContact N-OD2 2.9Å; T374-D377 PolarHBondContact O-N 3.19Å; T374-D377 PolarHBondContact OG1-OD1 3.13Å; T374-D377 PolarHBondContact OG1-OD2 3.44Å; T374-Q382 PolarHBondContact O-NE2 3.12Å
375	A	94	Very high	96	Very high	60 Å²	60	22.2 Å²	22.2	50%	0.496	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-13.9	174.9	0	0	0	0	0	114.4	Q347	Q347-A375 PolarHBondContact O-N 2.92Å
376	S	91.9	Very high	96.1	Very high	98 Å²	98	21.6 Å²	21.6	69%	0.685	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-11.1	176.1	-58.8	0	0	0	0	113.3	T374	T374-S376 PolarHBondContact O-N 2.82Å; T374-S376 PolarHBondContact OG1-N 3.05Å
377	D	93.1	Very high	96.1	Very high	41 Å²	41	15.8 Å²	15.8	22%	0.219	11%	0.105	C	C	.	.	S	Bend	trans	-97	147.5	-177.1	-47.2	-45.4	0	0	0	109	R349 T374 L381 Q382	R349-D377 IonicContact NH2-OD1 2.96Å; R349-D377 PolarHBondContact NH2-OD1 3.5Å; T374-D377 WeakPolarHBondContact CA-OD2 3.34Å; T374-D377 VanDerWaalsContact CB-OD2 3.27Å; T374-D377 WeakPolarHBondContact CB-OD2 3.42Å; T374-D377 PolarHBondContact N-OD2 2.9Å; T374-D377 PolarHBondContact O-N 3.19Å; T374-D377 PolarHBondContact OG1-OD1 3.13Å; T374-D377 PolarHBondContact OG1-OD2 3.44Å; D377-L381 HydrophobicContact CB-CD1 4.14Å; D377-Q382 PolarHBondContact O-NE2 2.97Å
378	A	92.8	Very high	96.1	Very high	29 Å²	29	15.4 Å²	15.4	24%	0.24	10%	0.103	C	C	.	.			trans	-56.3	144.8	-170.3	0	0	0	0	0	112.8	P380 L381 Q382	A378-P380 WeakPolarHBondContact O-CD 3.03Å; A378-L381 WeakPolarHBondContact O-CB 3.26Å; A378-L381 PolarHBondContact O-N 2.94Å; A378-Q382 PolarHBondContact O-N 3.2Å
379	A	93.6	Very high	96.1	Very high	12 Å²	12	15.4 Å²	15.4	10%	0.099	10%	0.103	C	C	.	.	H	α-helix	trans	-46.7	-36.6	179.2	0	0	0	0	0	114.9	L381 Q382 Y383 A416	A379-L381 VanDerWaalsContact C-N 3.32Å; A379-L381 PolarHBondContact O-N 3.23Å; A379-Q382 WeakPolarHBondContact O-CB 3.4Å; A379-Q382 PolarHBondContact O-N 2.99Å; A379-Q382 VanDerWaalsContact O-N 3.12Å; A379-Y383 PolarHBondContact O-N 3.27Å; A379-A416 HydrophobicContact CB-CB 4.16Å
380	P	93.9	Very high	96.1	Very high	7 Å²	7	15.3 Å²	15.3	5%	0.045	10%	0.103	C	C	.	.	H	α-helix	trans	-63.8	-32.2	177	-24	38	0	0	0	114	V213 F215 A378 L384 M420	V213-P380 HydrophobicContact CG1-CB 3.55Å; V213-P380 HydrophobicContact CG1-CG 3.08Å; F215-P380 HydrophobicContact CD1-CB 3.84Å; F215-P380 HydrophobicContact CE1-CB 3.84Å; A378-P380 WeakPolarHBondContact O-CD 3.03Å; P380-L384 WeakPolarHBondContact O-CB 3.41Å; P380-L384 PolarHBondContact O-N 2.69Å; P380-M420 HydrophobicContact CB-CE 4.46Å; P380-M420 HydrophobicContact CB-SD 4.28Å; P380-M420 HydrophobicContact CG-CG 4.32Å; P380-M420 HydrophobicContact CG-SD 4.32Å
381	L	94.9	Very high	96.1	Very high	22 Å²	22	15.3 Å²	15.3	12%	0.115	10%	0.103	C	C	.	.	H	α-helix	trans	-71	-37.5	173.5	-64.5	166.5	0	0	0	110.9	F215 A249 L250 A373 D377 A378 A379 L384 A385	F215-L381 HydrophobicContact CB-CD2 4.01Å; F215-L381 HydrophobicContact CB-CG 4.43Å; F215-L381 HydrophobicContact CD1-CD2 3.8Å; F215-L381 HydrophobicContact CD1-CG 4.15Å; F215-L381 HydrophobicContact CG-CD2 4.18Å; A249-L381 HydrophobicContact CB-CB 4.05Å; A249-L381 HydrophobicContact CB-CD2 3.91Å; A249-L381 VanDerWaalsContact CB-O 3.29Å; A249-L381 WeakPolarHBondContact CB-O 3.47Å; L250-L381 HydrophobicContact CD1-CD2 4.38Å; L250-L381 HydrophobicContact CG-CD2 4.11Å; A373-L381 HydrophobicContact CB-CB 4.3Å; A373-L381 WeakPolarHBondContact CB-O 3.49Å; D377-L381 HydrophobicContact CB-CD1 4.14Å; A378-L381 WeakPolarHBondContact O-CB 3.26Å; A378-L381 PolarHBondContact O-N 2.94Å; A379-L381 VanDerWaalsContact C-N 3.32Å; A379-L381 PolarHBondContact O-N 3.23Å; L381-L384 PolarHBondContact O-N 3.12Å; L381-A385 WeakPolarHBondContact O-CB 3.33Å; L381-A385 PolarHBondContact O-N 2.75Å
382	Q	96.5	Very high	96	Very high	29 Å²	29	15.4 Å²	15.4	14%	0.136	10%	0.103	C	C	.	.	H	α-helix	trans	-68.1	-36.7	175.3	-57.9	-177.3	41.7	0	0	112.1	I345 G346 A373 T374 D377 A378 A379 A416	I345-Q382 HydrophobicContact CG2-CB 4.36Å; G346-Q382 VanDerWaalsContact CA-OE1 3.24Å; A373-Q382 HydrophobicContact CB-CB 4.41Å; A373-Q382 HydrophobicContact CB-CG 4.04Å; T374-Q382 PolarHBondContact O-NE2 3.12Å; D377-Q382 PolarHBondContact O-NE2 2.97Å; A378-Q382 PolarHBondContact O-N 3.2Å; A379-Q382 WeakPolarHBondContact O-CB 3.4Å; A379-Q382 PolarHBondContact O-N 2.99Å; A379-Q382 VanDerWaalsContact O-N 3.12Å; Q382-A416 HydrophobicContact CB-CB 3.98Å
383	Y	95.5	Very high	96	Very high	8 Å²	8	15.2 Å²	15.2	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-62.1	-42.9	169.2	161.5	-88.3	0	0	0	112.2	M201 A379 Q413 Y417 M420 L440 R443	M201-Y383 HydrophobicContact CE-CD1 4.48Å; M201-Y383 HydrophobicContact CE-CE1 4.03Å; A379-Y383 PolarHBondContact O-N 3.27Å; Y383-Q413 PolarHBondContact O-NE2 2.86Å; Y383-Y417 AromaticContact CD2-CD2 3.46Å; Y383-Y417 HydrophobicContact CD2-CD2 3.46Å; Y383-Y417 VanDerWaalsContact CD2-CD2 3.46Å; Y383-Y417 HydrophobicContact CD2-CE2 4.29Å; Y383-Y417 AromaticContact CD2-CG 3.94Å; Y383-Y417 HydrophobicContact CD2-CG 3.94Å; Y383-Y417 AromaticContact CE2-CD2 3.29Å; Y383-Y417 HydrophobicContact CE2-CD2 3.29Å; Y383-Y417 AromaticContact CE2-CE2 3.67Å; Y383-Y417 HydrophobicContact CE2-CE2 3.67Å; Y383-Y417 AromaticContact CE2-CG 3.97Å; Y383-Y417 HydrophobicContact CE2-CG 3.97Å; Y383-M420 WeakPolarHBondContact CB-SD 3.45Å; Y383-M420 HydrophobicContact CD1-CE 3.89Å; Y383-M420 HydrophobicContact CD1-SD 4.33Å; Y383-M420 HydrophobicContact CD2-CE 4.12Å; Y383-M420 HydrophobicContact CD2-SD 4.12Å; Y383-M420 HydrophobicContact CE1-CE 4.28Å; Y383-M420 HydrophobicContact CE2-CE 4.45Å; Y383-M420 HydrophobicContact CG-CE 3.82Å; Y383-M420 HydrophobicContact CG-SD 3.74Å; Y383-L440 HydrophobicContact CD2-CD1 3.95Å; Y383-L440 HydrophobicContact CE2-CD1 3.42Å; Y383-L440 VanDerWaalsContact CE2-CD1 3.42Å; Y383-R443 PolarHBondContact OH-NH2 2.94Å
384	L	96	Very high	96	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-78.9	-38.9	-171.3	-179.4	61.7	0	0	0	113.6	F215 V234 A249 L250 V268 P380 L381 P386 Y387 S388	F215-L384 HydrophobicContact CE1-CD2 3.9Å; F215-L384 HydrophobicContact CZ-CD2 3.91Å; V234-L384 HydrophobicContact CG1-CD1 4.06Å; V234-L384 HydrophobicContact CG1-CD2 4.1Å; A249-L384 HydrophobicContact CB-CB 4.32Å; A249-L384 HydrophobicContact CB-CD2 4.42Å; A249-L384 HydrophobicContact CB-CG 4.4Å; L250-L384 HydrophobicContact CD2-CD2 3.69Å; V268-L384 HydrophobicContact CB-CD1 4.19Å; V268-L384 HydrophobicContact CG1-CD1 4.17Å; V268-L384 HydrophobicContact CG2-CD1 3.79Å; P380-L384 WeakPolarHBondContact O-CB 3.41Å; P380-L384 PolarHBondContact O-N 2.69Å; L381-L384 PolarHBondContact O-N 3.12Å; L384-P386 VanDerWaalsContact C-CD 3.43Å; L384-P386 VanDerWaalsContact C-N 3.32Å; L384-P386 VanDerWaalsContact O-N 3.08Å; L384-Y387 WeakPolarHBondContact O-CB 3.36Å; L384-Y387 PolarHBondContact O-N 3.1Å; L384-S388 PolarHBondContact O-N 3.09Å
385	A	97.8	Very high	96.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-49.1	-39.2	-170.7	0	0	0	0	0	115.5	A249 V343 V371 A373 L381 Y387 S388 G389	A249-A385 HydrophobicContact CB-CB 3.87Å; V343-A385 HydrophobicContact CG1-CB 3.92Å; V371-A385 HydrophobicContact CG1-CB 4.13Å; A373-A385 HydrophobicContact CB-CB 3.8Å; L381-A385 WeakPolarHBondContact O-CB 3.33Å; L381-A385 PolarHBondContact O-N 2.75Å; A385-Y387 PolarHBondContact O-N 2.89Å; A385-S388 PolarHBondContact O-N 3.16Å; A385-G389 PolarHBondContact O-N 3.41Å
386	P	98.4	Very high	96.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.1	-36.1	176.4	-27	40.7	0	0	0	113.7	V343 I345 L384 C390 Y407 L410 Q413 L444	V343-P386 HydrophobicContact CG1-CG 4.35Å; I345-P386 HydrophobicContact CD1-CG 3.55Å; I345-P386 HydrophobicContact CG1-CG 3.91Å; L384-P386 VanDerWaalsContact C-CD 3.43Å; L384-P386 VanDerWaalsContact C-N 3.32Å; L384-P386 VanDerWaalsContact O-N 3.08Å; P386-C390 WeakPolarHBondContact O-CB 3.25Å; P386-C390 PolarHBondContact O-N 2.99Å; P386-Y407 HydrophobicContact CB-CD1 3.78Å; P386-Y407 HydrophobicContact CB-CE1 3.87Å; P386-L410 HydrophobicContact CG-CD2 4.46Å; P386-Q413 HydrophobicContact CG-CG 4.04Å; P386-L444 HydrophobicContact CB-CD1 4.1Å; P386-L444 HydrophobicContact CB-CD2 3.65Å
387	Y	97.9	Very high	96.5	Very high	4 Å²	4	10.2 Å²	10.2	2%	0.016	6%	0.055	C	C	.	.	H	α-helix	trans	-70.1	-39	176.1	-65	-80.1	0	0	0	111.7	L384 A385 C390 S391 Q413 L440 R443 L444	L384-Y387 WeakPolarHBondContact O-CB 3.36Å; L384-Y387 PolarHBondContact O-N 3.1Å; A385-Y387 PolarHBondContact O-N 2.89Å; Y387-C390 PolarHBondContact O-N 3.47Å; Y387-S391 WeakPolarHBondContact O-CB 3.32Å; Y387-S391 PolarHBondContact O-N 2.71Å; Y387-S391 PolarHBondContact O-OG 2.78Å; Y387-Q413 VanDerWaalsContact CE2-NE2 3.32Å; Y387-L440 HydrophobicContact CE2-CD1 4.17Å; Y387-L440 VanDerWaalsContact OH-CD1 3.24Å; Y387-L440 WeakPolarHBondContact OH-CD1 3.5Å; Y387-L440 PolarHBondContact OH-O 2.93Å; Y387-R443 HydrophobicContact CE1-CG 3.92Å; Y387-R443 PolarHBondContact OH-NE 3.29Å; Y387-L444 HydrophobicContact CD1-CD1 3.99Å; Y387-L444 HydrophobicContact CE1-CB 4.02Å; Y387-L444 HydrophobicContact CE1-CD1 4.2Å; Y387-L444 HydrophobicContact CG-CD1 4.39Å
388	S	97.6	Very high	96.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.5	-51.2	175.1	-57.2	0	0	0	0	111.4	A249 L384 A385 C390 S391 M392	A249-S388 VanDerWaalsContact O-CB 3.31Å; A249-S388 WeakPolarHBondContact O-CB 3.33Å; A249-S388 PolarHBondContact O-OG 3.13Å; L384-S388 PolarHBondContact O-N 3.09Å; A385-S388 PolarHBondContact O-N 3.16Å; S388-C390 VanDerWaalsContact C-N 3.34Å; S388-C390 PolarHBondContact O-N 2.86Å; S388-S391 PolarHBondContact O-N 3Å; S388-M392 WeakPolarHBondContact O-CG 3.42Å; S388-M392 PolarHBondContact O-N 3.33Å
389	G	97.9	Very high	96.7	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.1	-40	174.9	0	0	0	0	0	113	A385 S391 M392 G393 I405	A385-G389 PolarHBondContact O-N 3.41Å; G389-S391 VanDerWaalsContact C-N 3.33Å; G389-S391 PolarHBondContact O-N 2.95Å; G389-M392 PolarHBondContact O-N 3.11Å; G389-G393 PolarHBondContact O-N 3.01Å; G389-I405 WeakPolarHBondContact O-CD1 3.36Å
390	C	98.2	Very high	96.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.4	-46.8	174.2	-173.8	0	0	0	0	110.9	P386 Y387 S388 M392 G393 E394 I405 L444	P386-C390 WeakPolarHBondContact O-CB 3.25Å; P386-C390 PolarHBondContact O-N 2.99Å; Y387-C390 PolarHBondContact O-N 3.47Å; S388-C390 VanDerWaalsContact C-N 3.34Å; S388-C390 PolarHBondContact O-N 2.86Å; C390-M392 VanDerWaalsContact C-N 3.31Å; C390-M392 PolarHBondContact O-N 2.97Å; C390-G393 CarbonylContact O-C 3.57Å; C390-G393 WeakPolarHBondContact O-CA 3.29Å; C390-G393 PolarHBondContact O-N 2.82Å; C390-E394 WeakPolarHBondContact O-CG 3.49Å; C390-E394 PolarHBondContact O-N 3.07Å; C390-I405 HydrophobicContact CB-CD1 4.35Å; C390-I405 VanDerWaalsContact N-CD1 3.32Å; C390-L444 HydrophobicContact CB-CD1 3.92Å
391	S	97.8	Very high	96.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.5	-33.4	179.9	-50.6	0	0	0	0	113	V268 Y387 S388 G389 Y395 R447	V268-S391 WeakPolarHBondContact CA-OG 3.24Å; Y387-S391 WeakPolarHBondContact O-CB 3.32Å; Y387-S391 PolarHBondContact O-N 2.71Å; Y387-S391 PolarHBondContact O-OG 2.78Å; S388-S391 PolarHBondContact O-N 3Å; G389-S391 VanDerWaalsContact C-N 3.33Å; G389-S391 PolarHBondContact O-N 2.95Å; S391-Y395 PolarHBondContact O-N 3.29Å; S391-R447 PolarHBondContact OG-NH2 2.85Å
392	M	97.8	Very high	97.1	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-67.7	-38.4	170	-63.9	165.8	-173.7	0	0	111.8	V236 V238 L242 V247 I369 V371 S388 G389 C390 Y395 F396	V236-M392 HydrophobicContact CB-CE 4.16Å; V236-M392 HydrophobicContact CG2-CE 4.22Å; V238-M392 HydrophobicContact CG1-CG 4.2Å; L242-M392 HydrophobicContact CD2-CE 3.81Å; L242-M392 HydrophobicContact CD2-CG 4.18Å; L242-M392 HydrophobicContact CD2-SD 3.82Å; V247-M392 HydrophobicContact CG2-CE 4.02Å; V247-M392 HydrophobicContact CG2-SD 4.25Å; I369-M392 HydrophobicContact CD1-CB 4.22Å; I369-M392 HydrophobicContact CG2-SD 4.21Å; V371-M392 HydrophobicContact CG2-SD 3.66Å; S388-M392 WeakPolarHBondContact O-CG 3.42Å; S388-M392 PolarHBondContact O-N 3.33Å; G389-M392 PolarHBondContact O-N 3.11Å; C390-M392 VanDerWaalsContact C-N 3.31Å; C390-M392 PolarHBondContact O-N 2.97Å; M392-Y395 WeakPolarHBondContact O-CB 3.28Å; M392-F396 VanDerWaalsContact O-CD2 3.29Å; M392-F396 WeakPolarHBondContact O-CD2 3.18Å; M392-F396 WeakPolarHBondContact O-CE2 3.25Å
393	G	97.6	Very high	97.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-68.2	-35.6	173.1	0	0	0	0	0	114.1	G389 C390 Y395 F396 R397	G389-G393 PolarHBondContact O-N 3.01Å; C390-G393 CarbonylContact O-C 3.57Å; C390-G393 WeakPolarHBondContact O-CA 3.29Å; C390-G393 PolarHBondContact O-N 2.82Å; G393-Y395 VanDerWaalsContact C-N 3.28Å; G393-Y395 PolarHBondContact O-N 2.73Å; G393-F396 PolarHBondContact O-N 3.06Å; G393-R397 PolarHBondContact O-N 3.03Å
394	E	97.7	Very high	97.3	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-64.8	-29.9	176.5	-71.5	-169.2	140.2	0	0	113	C390 F396 R397 D398 R447 L460	C390-E394 WeakPolarHBondContact O-CG 3.49Å; C390-E394 PolarHBondContact O-N 3.07Å; E394-F396 PolarHBondContact O-N 3.11Å; E394-R397 VanDerWaalsContact CD-NH2 3.33Å; E394-R397 PolarHBondContact O-N 3.35Å; E394-R397 IonicContact OE1-CZ 3.77Å; E394-R397 IonicContact OE1-NH1 3.84Å; E394-R397 PolarHBondContact OE1-NH1 3.42Å; E394-R397 IonicContact OE1-NH2 2.88Å; E394-R397 PolarHBondContact OE1-NH2 2.96Å; E394-R397 VanDerWaalsContact OE1-NH2 3.16Å; E394-D398 WeakPolarHBondContact O-CB 3.34Å; E394-D398 PolarHBondContact O-N 3.31Å; E394-R447 VanDerWaalsContact CD-NE 3.3Å; E394-R447 WeakPolarHBondContact OE1-CB 2.95Å; E394-R447 IonicContact OE1-CZ 2.76Å; E394-R447 IonicContact OE1-NE 3.54Å; E394-R447 PolarHBondContact OE1-NE 3.32Å; E394-R447 IonicContact OE1-NH2 3.54Å; E394-R447 IonicContact OE2-CZ 2.69Å; E394-R447 IonicContact OE2-NE 3.57Å; E394-R447 PolarHBondContact OE2-NE 3.07Å; E394-R447 IonicContact OE2-NH2 3.85Å; E394-R447 PolarHBondContact OE2-NH2 3.1Å; E394-L460 HydrophobicContact CG-CD2 4.09Å
395	Y	96.9	Very high	97.4	Very high	46 Å²	46	13.6 Å²	13.6	18%	0.18	7%	0.073	C	C	.	.	H	α-helix	trans	-55.8	-41.2	172.8	174.8	-88.7	0	0	0	111.7	V238 E240 S391 M392 G393 N399	V238-Y395 HydrophobicContact CB-CD2 4.21Å; V238-Y395 HydrophobicContact CB-CG 4.31Å; V238-Y395 HydrophobicContact CG2-CD2 3.8Å; V238-Y395 HydrophobicContact CG2-CG 4.37Å; E240-Y395 HydrophobicContact CG-CE1 3.94Å; S391-Y395 PolarHBondContact O-N 3.29Å; M392-Y395 WeakPolarHBondContact O-CB 3.28Å; G393-Y395 VanDerWaalsContact C-N 3.28Å; G393-Y395 PolarHBondContact O-N 2.73Å; Y395-N399 VanDerWaalsContact CE2-ND2 3.32Å; Y395-N399 WeakPolarHBondContact CE2-ND2 3.35Å; Y395-N399 VanDerWaalsContact CZ-ND2 3.32Å; Y395-N399 WeakPolarHBondContact O-CB 3.1Å; Y395-N399 PolarHBondContact O-N 3.28Å; Y395-N399 PolarHBondContact O-ND2 3.08Å
396	F	97.3	Very high	97.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-72.2	-45.7	176.3	-60	-80.8	0	0	0	111.4	E240 L243 Y339 I369 M392 G393 E394 D398 N399 K401 A403	E240-F396 HydrophobicContact CG-CE1 4.1Å; L243-F396 HydrophobicContact CD1-CE1 4.48Å; L243-F396 HydrophobicContact CD1-CZ 4.49Å; L243-F396 HydrophobicContact CD2-CE1 4.44Å; L243-F396 HydrophobicContact CD2-CZ 3.86Å; L243-F396 HydrophobicContact CG-CZ 4.29Å; Y339-F396 HydrophobicContact CD1-CD1 4.08Å; Y339-F396 AromaticContact CD1-CE1 3.68Å; Y339-F396 HydrophobicContact CD1-CE1 3.68Å; Y339-F396 HydrophobicContact CD1-CZ 4.27Å; Y339-F396 AromaticContact CD2-CD1 3.62Å; Y339-F396 HydrophobicContact CD2-CD1 3.62Å; Y339-F396 HydrophobicContact CD2-CE1 4.09Å; Y339-F396 HydrophobicContact CD2-CG 4.27Å; Y339-F396 HydrophobicContact CE1-CD1 4.5Å; Y339-F396 HydrophobicContact CE1-CE1 4.06Å; Y339-F396 HydrophobicContact CE2-CD1 4.11Å; Y339-F396 HydrophobicContact CE2-CE1 4.47Å; Y339-F396 AromaticContact CG-CD1 3.59Å; Y339-F396 HydrophobicContact CG-CD1 3.59Å; Y339-F396 AromaticContact CG-CE1 3.66Å; Y339-F396 HydrophobicContact CG-CE1 3.66Å; Y339-F396 HydrophobicContact CG-CG 4.2Å; Y339-F396 HydrophobicContact CG-CZ 4.32Å; I369-F396 HydrophobicContact CD1-CE2 3.96Å; I369-F396 HydrophobicContact CD1-CZ 4.36Å; M392-F396 VanDerWaalsContact O-CD2 3.29Å; M392-F396 WeakPolarHBondContact O-CD2 3.18Å; M392-F396 WeakPolarHBondContact O-CE2 3.25Å; G393-F396 PolarHBondContact O-N 3.06Å; E394-F396 PolarHBondContact O-N 3.11Å; F396-D398 VanDerWaalsContact C-N 3.31Å; F396-D398 PolarHBondContact O-N 2.89Å; F396-N399 PolarHBondContact O-N 3.05Å; F396-K401 CarbonylContact C-O 3.52Å; F396-K401 HydrophobicContact CB-CB 4.09Å; F396-K401 HydrophobicContact CD1-CD 4.3Å; F396-K401 CarbonylContact O-C 3.59Å; F396-K401 WeakPolarHBondContact O-CA 3.38Å; F396-K401 WeakPolarHBondContact O-CB 3.48Å; F396-K401 PolarHBondContact O-N 3.45Å; F396-A403 HydrophobicContact CB-CB 3.92Å; F396-A403 HydrophobicContact CD2-CB 4.43Å; F396-A403 HydrophobicContact CG-CB 4.46Å
397	R	96.9	Very high	97.5	Very high	12 Å²	12	13.6 Å²	13.6	5%	0.045	7%	0.073	C	C	.	.	H	α-helix	trans	-52.2	-47.8	177.5	-177.7	-165.1	70	-155.8	-10.1	112	G393 E394 G400 R447 M451 G458 L460	G393-R397 PolarHBondContact O-N 3.03Å; E394-R397 VanDerWaalsContact CD-NH2 3.33Å; E394-R397 PolarHBondContact O-N 3.35Å; E394-R397 IonicContact OE1-CZ 3.77Å; E394-R397 IonicContact OE1-NH1 3.84Å; E394-R397 PolarHBondContact OE1-NH1 3.42Å; E394-R397 IonicContact OE1-NH2 2.88Å; E394-R397 PolarHBondContact OE1-NH2 2.96Å; E394-R397 VanDerWaalsContact OE1-NH2 3.16Å; R397-G400 PolarHBondContact O-N 3.48Å; R397-R447 PolarHBondContact NH1-O 2.83Å; R397-M451 HydrophobicContact CG-CG 3.73Å; R397-M451 HydrophobicContact CG-SD 4.38Å; R397-G458 WeakPolarHBondContact O-CA 3.39Å; R397-L460 HydrophobicContact CB-CB 4.19Å; R397-L460 HydrophobicContact CG-CB 4.37Å
398	D	96.1	Very high	97.5	Very high	60 Å²	60	13.7 Å²	13.7	32%	0.321	7%	0.073	S	C	.	.	H	α-helix	trans	-80.1	-22.2	-172.2	-59.3	-21.6	0	0	0	112.7	R266 E394 F396 G400	R266-D398 IonicContact CZ-OD2 2.61Å; R266-D398 IonicContact NH1-OD2 3.61Å; R266-D398 PolarHBondContact NH1-OD2 3.16Å; R266-D398 IonicContact NH2-OD2 3.58Å; E394-D398 WeakPolarHBondContact O-CB 3.34Å; E394-D398 PolarHBondContact O-N 3.31Å; F396-D398 VanDerWaalsContact C-N 3.31Å; F396-D398 PolarHBondContact O-N 2.89Å; D398-G400 VanDerWaalsContact C-N 3.25Å; D398-G400 PolarHBondContact O-N 3.23Å
399	N	95.6	Very high	97.5	Very high	88 Å²	88	13.8 Å²	13.8	47%	0.471	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	23.1	172.7	-70.5	-48.9	0	0	0	112.7	Y395 F396 K401	Y395-N399 VanDerWaalsContact CE2-ND2 3.32Å; Y395-N399 WeakPolarHBondContact CE2-ND2 3.35Å; Y395-N399 VanDerWaalsContact CZ-ND2 3.32Å; Y395-N399 WeakPolarHBondContact O-CB 3.1Å; Y395-N399 PolarHBondContact O-N 3.28Å; Y395-N399 PolarHBondContact O-ND2 3.08Å; F396-N399 PolarHBondContact O-N 3.05Å; N399-K401 PolarHBondContact O-N 3.35Å
400	G	94.8	Very high	97.4	Very high	26 Å²	26	13.8 Å²	13.8	27%	0.268	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	7.5	177.1	0	0	0	0	0	115.6	R397 D398 G456	R397-G400 PolarHBondContact O-N 3.48Å; D398-G400 VanDerWaalsContact C-N 3.25Å; D398-G400 PolarHBondContact O-N 3.23Å; G400-G456 VanDerWaalsContact CA-O 3.24Å; G400-G456 WeakPolarHBondContact CA-O 3.47Å
401	K	96.6	Very high	97.4	Very high	36 Å²	36	14.7 Å²	14.7	16%	0.157	8%	0.08	C	C	.	.			trans	-93	167.1	177.6	-67.8	179.4	167.4	-156.6	0	110.8	E240 E334 Y339 F396 N399 G458 S459	E240-K401 WeakPolarHBondContact OE1-CE 3.22Å; E240-K401 IonicContact OE1-NZ 3.71Å; E240-K401 PolarHBondContact OE1-NZ 2.73Å; E240-K401 IonicContact OE2-NZ 2.63Å; E334-K401 WeakPolarHBondContact OE2-CE 3.39Å; E334-K401 IonicContact OE2-NZ 3.97Å; E334-K401 PolarHBondContact OE2-NZ 2.86Å; Y339-K401 HydrophobicContact CD2-CB 4.34Å; Y339-K401 HydrophobicContact CD2-CD 4.49Å; Y339-K401 HydrophobicContact CE2-CB 4.17Å; Y339-K401 HydrophobicContact CE2-CD 3.7Å; Y339-K401 HydrophobicContact CE2-CG 4.27Å; Y339-K401 PolarHBondContact OH-NZ 2.71Å; F396-K401 CarbonylContact C-O 3.52Å; F396-K401 HydrophobicContact CB-CB 4.09Å; F396-K401 HydrophobicContact CD1-CD 4.3Å; F396-K401 CarbonylContact O-C 3.59Å; F396-K401 WeakPolarHBondContact O-CA 3.38Å; F396-K401 WeakPolarHBondContact O-CB 3.48Å; F396-K401 PolarHBondContact O-N 3.45Å; N399-K401 PolarHBondContact O-N 3.35Å; K401-G458 VanDerWaalsContact O-CA 3.22Å; K401-G458 WeakPolarHBondContact O-CA 3.37Å; K401-S459 PolarHBondContact O-N 2.93Å
402	H	98.1	Very high	97.3	Very high	11 Å²	11	17.1 Å²	17.1	5%	0.051	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.1	177.6	-56.5	-87.5	0	0	0	110.5	E283 R300 K335 L338 Y339 S459	E283-H402 IonicContact OE2-CE1 3.87Å; E283-H402 PolarHBondContact OE2-CE1 2.68Å; R300-H402 PolarHBondContact NH1-CD2 3.49Å; R300-H402 VanDerWaalsContact NH1-CG 3.28Å; R300-H402 PolarHBondContact NH1-NE2 3.06Å; K335-H402 PolarHBondContact O-CD2 3.18Å; K335-H402 VanDerWaalsContact O-CD2 3.24Å; K335-H402 PolarHBondContact O-NE2 3.15Å; L338-H402 WeakPolarHBondContact CA-O 3.21Å; L338-H402 HydrophobicContact CD1-CB 3.67Å; Y339-H402 WeakPolarHBondContact CD2-O 3.34Å; Y339-H402 PolarHBondContact N-O 3.22Å; H402-S459 CarbonylContact C-O 3.39Å; H402-S459 WeakPolarHBondContact CA-O 3.39Å; H402-S459 PolarHBondContact ND1-OG 3.44Å
403	A	98.3	Very high	97.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	156	174.6	0	0	0	0	0	113.1	Y339 I341 F396 S459 L460 T461	Y339-A403 CarbonylContact O-C 3.55Å; Y339-A403 WeakPolarHBondContact O-CA 3.33Å; I341-A403 HydrophobicContact CD1-CB 3.97Å; F396-A403 HydrophobicContact CB-CB 3.92Å; F396-A403 HydrophobicContact CD2-CB 4.43Å; F396-A403 HydrophobicContact CG-CB 4.46Å; A403-S459 PolarHBondContact N-O 3.18Å; A403-L460 HydrophobicContact CB-CD1 3.84Å; A403-T461 PolarHBondContact O-N 2.85Å; A403-T461 PolarHBondContact O-OG1 3.25Å
404	L	98.7	Very high	97.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.9	172.9	178.1	66.8	0	0	0	108.4	M285 T321 L338 Y339 C340 I341 I406 T461 L463	M285-L404 HydrophobicContact CE-CD1 4.02Å; M285-L404 HydrophobicContact SD-CD1 4.25Å; M285-L404 HydrophobicContact SD-CD2 4.29Å; T321-L404 HydrophobicContact CG2-CD2 3.62Å; L338-L404 HydrophobicContact CD1-CB 4.4Å; L338-L404 HydrophobicContact CD2-CB 3.87Å; L338-L404 HydrophobicContact CD2-CD2 4.3Å; L338-L404 HydrophobicContact CG-CB 3.99Å; Y339-L404 PolarHBondContact O-N 3.35Å; C340-L404 CarbonylContact C-O 3.02Å; C340-L404 WeakPolarHBondContact CA-O 3.41Å; I341-L404 PolarHBondContact N-O 2.98Å; L404-I406 HydrophobicContact CD2-CD1 4.28Å; L404-T461 CarbonylContact C-O 3.51Å; L404-T461 WeakPolarHBondContact CA-O 3.06Å; L404-T461 HydrophobicContact CD1-CG2 4.12Å; L404-L463 HydrophobicContact CD1-CD1 4.08Å; L404-L463 HydrophobicContact CD1-CG 3.97Å
405	I	98.8	Very high	97.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.9	172.7	-172.3	159.4	0	0	0	111.7	I341 V343 G389 C390 Y407 L460 T461 A462 L463	I341-I405 HydrophobicContact CB-CB 4.28Å; I341-I405 HydrophobicContact CB-CD1 4.25Å; I341-I405 HydrophobicContact CB-CG1 4.06Å; I341-I405 HydrophobicContact CG2-CD1 3.96Å; I341-I405 HydrophobicContact CG2-CG1 4.12Å; I341-I405 CarbonylContact O-C 3.52Å; I341-I405 WeakPolarHBondContact O-CA 3.5Å; V343-I405 HydrophobicContact CG2-CD1 3.95Å; V343-I405 HydrophobicContact CG2-CG1 4.13Å; G389-I405 WeakPolarHBondContact O-CD1 3.36Å; C390-I405 HydrophobicContact CB-CD1 4.35Å; C390-I405 VanDerWaalsContact N-CD1 3.32Å; I405-Y407 HydrophobicContact CD1-CD1 4.26Å; I405-Y407 HydrophobicContact CD1-CE1 3.43Å; I405-Y407 VanDerWaalsContact CD1-CE1 3.43Å; I405-Y407 HydrophobicContact CG1-CD1 4.2Å; I405-Y407 HydrophobicContact CG1-CE1 3.73Å; I405-Y407 HydrophobicContact CG1-CE2 4.36Å; I405-Y407 HydrophobicContact CG2-CE2 3.99Å; I405-L460 HydrophobicContact CB-CD1 4.07Å; I405-L460 HydrophobicContact CG2-CD1 3.75Å; I405-L460 HydrophobicContact CG2-CD2 4.43Å; I405-L460 HydrophobicContact CG2-CG 4.1Å; I405-T461 PolarHBondContact N-O 2.89Å; I405-A462 HydrophobicContact CG2-CB 3.97Å; I405-A462 CarbonylContact O-C 3.49Å; I405-A462 WeakPolarHBondContact O-CA 3.33Å; I405-L463 PolarHBondContact O-N 3.41Å
406	I	98.8	Very high	97.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.4	174.9	-70.8	141.8	0	0	0	108.4	A318 I322 I341 Y342 V343 L404 L463 V465	A318-I406 HydrophobicContact CB-CD1 3.97Å; A318-I406 HydrophobicContact CB-CG1 4.13Å; A318-I406 HydrophobicContact CB-CG2 3.86Å; I322-I406 HydrophobicContact CD1-CD1 3.61Å; I322-I406 HydrophobicContact CG1-CD1 3.67Å; I341-I406 PolarHBondContact O-N 3.17Å; Y342-I406 HydrophobicContact CD2-CB 4.03Å; Y342-I406 HydrophobicContact CD2-CD1 4.4Å; Y342-I406 HydrophobicContact CD2-CG2 3.68Å; Y342-I406 HydrophobicContact CE2-CG2 3.69Å; V343-I406 WeakPolarHBondContact CB-O 3.36Å; V343-I406 PolarHBondContact N-O 3.18Å; L404-I406 HydrophobicContact CD2-CD1 4.28Å; I406-L463 WeakPolarHBondContact CA-O 3.16Å; I406-L463 HydrophobicContact CD1-CD1 4.49Å; I406-L463 HydrophobicContact CG1-CB 3.87Å; I406-L463 HydrophobicContact CG1-CD1 4.03Å; I406-L463 HydrophobicContact CG1-CG 4.35Å; I406-V465 HydrophobicContact CG2-CG2 4.43Å
407	Y	98.7	Very high	97.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	102.7	175.9	-51.5	-76	0	0	0	109.4	V343 P386 I405 D409 L410 L444 L445 A462 L463 P464 V465	V343-Y407 HydrophobicContact CB-CD1 4.13Å; V343-Y407 HydrophobicContact CG2-CD1 3.95Å; V343-Y407 HydrophobicContact CG2-CE1 4.27Å; P386-Y407 HydrophobicContact CB-CD1 3.78Å; P386-Y407 HydrophobicContact CB-CE1 3.87Å; I405-Y407 HydrophobicContact CD1-CD1 4.26Å; I405-Y407 HydrophobicContact CD1-CE1 3.43Å; I405-Y407 VanDerWaalsContact CD1-CE1 3.43Å; I405-Y407 HydrophobicContact CG1-CD1 4.2Å; I405-Y407 HydrophobicContact CG1-CE1 3.73Å; I405-Y407 HydrophobicContact CG1-CE2 4.36Å; I405-Y407 HydrophobicContact CG2-CE2 3.99Å; Y407-D409 WeakPolarHBondContact O-CA 3.28Å; Y407-L410 HydrophobicContact CG-CD2 4.03Å; Y407-L444 HydrophobicContact CE1-CD1 4.22Å; Y407-L444 HydrophobicContact CE1-CD2 4.31Å; Y407-L445 HydrophobicContact CD2-CD2 4.23Å; Y407-L445 HydrophobicContact CE2-CD2 3.77Å; Y407-A462 HydrophobicContact CE2-CB 4.18Å; Y407-L463 PolarHBondContact N-O 3.21Å; Y407-P464 HydrophobicContact CD2-CB 4.22Å; Y407-V465 WeakPolarHBondContact O-CA 2.92Å; Y407-V465 WeakPolarHBondContact O-CB 3.3Å; Y407-V465 WeakPolarHBondContact O-CG2 3.42Å; Y407-V465 PolarHBondContact O-N 3.1Å
408	D	97.8	Very high	97	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.027	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	91.2	-177.5	-163.7	-41.3	0	0	0	110.5	T315 Y342 V343 I345 Q347 V465	T315-D408 WeakPolarHBondContact CB-OD2 3.33Å; T315-D408 WeakPolarHBondContact CG2-OD2 3.11Å; T315-D408 PolarHBondContact OG1-OD2 2.91Å; Y342-D408 HydrophobicContact CE1-CB 4.41Å; Y342-D408 HydrophobicContact CE2-CB 4.24Å; Y342-D408 VanDerWaalsContact OH-CB 3.23Å; Y342-D408 WeakPolarHBondContact OH-CB 3.3Å; Y342-D408 PolarHBondContact OH-OD2 3.35Å; V343-D408 PolarHBondContact O-N 3Å; I345-D408 PolarHBondContact N-O 3.02Å; Q347-D408 WeakPolarHBondContact CG-O 3.27Å; Q347-D408 VanDerWaalsContact NE2-C 3.28Å; Q347-D408 PolarHBondContact NE2-O 3.16Å; Q347-D408 PolarHBondContact NE2-OD1 2.8Å; D408-V465 HydrophobicContact CB-CB 4.47Å; D408-V465 HydrophobicContact CB-CG2 4.13Å
409	D	96.4	Very high	96.9	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.016	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	cis	-135.1	158.9	-0.5	67.9	51.7	0	0	0	113.4	I345 Y407 S411 K412 Q413 V465	I345-D409 WeakPolarHBondContact CD1-O 3.46Å; Y407-D409 WeakPolarHBondContact O-CA 3.28Å; D409-S411 VanDerWaalsContact C-N 3.29Å; D409-S411 PolarHBondContact O-N 2.92Å; D409-S411 WeakPolarHBondContact OD1-CA 3.43Å; D409-S411 VanDerWaalsContact OD1-CB 3.29Å; D409-S411 WeakPolarHBondContact OD1-CB 3.25Å; D409-S411 PolarHBondContact OD1-N 2.84Å; D409-S411 VanDerWaalsContact OD1-N 3.11Å; D409-K412 PolarHBondContact O-N 2.86Å; D409-K412 WeakPolarHBondContact OD1-CG 3.46Å; D409-K412 PolarHBondContact OD1-N 2.89Å; D409-K412 IonicContact OD2-NZ 2.87Å; D409-K412 PolarHBondContact OD2-NZ 2.81Å; D409-Q413 PolarHBondContact O-N 3.45Å; D409-V465 HydrophobicContact CB-CB 3.96Å; D409-V465 HydrophobicContact CB-CG1 4.02Å; D409-V465 WeakPolarHBondContact CB-O 3.29Å
410	L	97.8	Very high	96.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-74.6	-18.4	-179.7	-64.2	-172.7	0	0	0	112.8	I345 P386 Y407 K412 Q413 A414 L444 L445 P464 V465 I466	I345-L410 HydrophobicContact CD1-CD2 4.07Å; P386-L410 HydrophobicContact CG-CD2 4.46Å; Y407-L410 HydrophobicContact CG-CD2 4.03Å; L410-K412 VanDerWaalsContact C-N 3.27Å; L410-K412 PolarHBondContact O-N 3.31Å; L410-Q413 HydrophobicContact CD2-CB 4.44Å; L410-Q413 PolarHBondContact O-N 2.79Å; L410-A414 PolarHBondContact O-N 3.34Å; L410-L444 HydrophobicContact CD2-CD2 3.99Å; L410-L445 HydrophobicContact CD1-CD1 4.3Å; L410-L445 HydrophobicContact CD1-CD2 4.48Å; L410-P464 HydrophobicContact CD1-CB 3.55Å; L410-P464 HydrophobicContact CG-CB 4.21Å; L410-V465 PolarHBondContact N-O 3.48Å; L410-I466 HydrophobicContact CB-CD1 3.79Å
411	S	96.3	Very high	96.6	Very high	19 Å²	19	18 Å²	18	13%	0.133	9%	0.087	C	C	.	.	H	α-helix	trans	-60.3	-41.6	171.9	-59.1	0	0	0	0	110.1	D409 A414 V415 E467	D409-S411 VanDerWaalsContact C-N 3.29Å; D409-S411 PolarHBondContact O-N 2.92Å; D409-S411 WeakPolarHBondContact OD1-CA 3.43Å; D409-S411 VanDerWaalsContact OD1-CB 3.29Å; D409-S411 WeakPolarHBondContact OD1-CB 3.25Å; D409-S411 PolarHBondContact OD1-N 2.84Å; D409-S411 VanDerWaalsContact OD1-N 3.11Å; S411-A414 PolarHBondContact O-N 2.89Å; S411-V415 WeakPolarHBondContact O-CG2 3.39Å; S411-V415 PolarHBondContact O-N 3.05Å; S411-V415 VanDerWaalsContact O-N 3.12Å; S411-E467 PolarHBondContact OG-N 3.04Å; S411-E467 VanDerWaalsContact OG-N 3.08Å; S411-E467 PolarHBondContact OG-O 3.37Å
412	K	96.8	Very high	96.4	Very high	50 Å²	50	20 Å²	20	22%	0.217	10%	0.099	C	C	.	.	H	α-helix	trans	-69.5	-37.4	175	-67.9	164.2	-176.6	123	0	112.7	I345 D409 L410 A414 V415 A416	I345-K412 HydrophobicContact CG2-CB 4.09Å; I345-K412 WeakPolarHBondContact O-CD 3.39Å; D409-K412 PolarHBondContact O-N 2.86Å; D409-K412 WeakPolarHBondContact OD1-CG 3.46Å; D409-K412 PolarHBondContact OD1-N 2.89Å; D409-K412 IonicContact OD2-NZ 2.87Å; D409-K412 PolarHBondContact OD2-NZ 2.81Å; L410-K412 VanDerWaalsContact C-N 3.27Å; L410-K412 PolarHBondContact O-N 3.31Å; K412-A414 VanDerWaalsContact C-N 3.33Å; K412-A414 PolarHBondContact O-N 3.29Å; K412-V415 PolarHBondContact O-N 2.95Å; K412-A416 WeakPolarHBondContact O-CB 3.24Å; K412-A416 PolarHBondContact O-N 3.01Å
413	Q	97.8	Very high	96	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.7	-44	172.9	-163.1	-164.7	17.5	0	0	111.3	I345 Y383 P386 Y387 D409 L410 V415 A416 Y417 L440	I345-Q413 HydrophobicContact CG2-CB 4.22Å; Y383-Q413 PolarHBondContact O-NE2 2.86Å; P386-Q413 HydrophobicContact CG-CG 4.04Å; Y387-Q413 VanDerWaalsContact CE2-NE2 3.32Å; D409-Q413 PolarHBondContact O-N 3.45Å; L410-Q413 HydrophobicContact CD2-CB 4.44Å; L410-Q413 PolarHBondContact O-N 2.79Å; Q413-V415 PolarHBondContact O-N 3.1Å; Q413-A416 PolarHBondContact O-N 3.49Å; Q413-Y417 PolarHBondContact O-N 2.8Å; Q413-L440 HydrophobicContact CG-CD2 4.44Å
414	A	96.9	Very high	95.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-40.5	177.6	0	0	0	0	0	112.4	L410 S411 K412 Y417 R418 Y433 V437 I477	L410-A414 PolarHBondContact O-N 3.34Å; S411-A414 PolarHBondContact O-N 2.89Å; K412-A414 VanDerWaalsContact C-N 3.33Å; K412-A414 PolarHBondContact O-N 3.29Å; A414-Y417 PolarHBondContact O-N 3.22Å; A414-R418 WeakPolarHBondContact O-CB 3.27Å; A414-R418 PolarHBondContact O-N 3.47Å; A414-Y433 HydrophobicContact CB-CD1 4.36Å; A414-Y433 HydrophobicContact CB-CE1 3.8Å; A414-V437 HydrophobicContact CB-CG2 4.27Å; A414-I477 HydrophobicContact CB-CD1 3.88Å; A414-I477 HydrophobicContact CB-CG1 4Å; A414-I477 HydrophobicContact CB-CG2 4.18Å
415	V	96.6	Very high	94.9	Very high	64 Å²	64	32.7 Å²	32.7	39%	0.388	15%	0.152	S	C	.	.	H	α-helix	trans	-64.7	-42.3	175.7	170.1	0	0	0	0	111.4	S411 K412 Q413 R418 Q419	S411-V415 WeakPolarHBondContact O-CG2 3.39Å; S411-V415 PolarHBondContact O-N 3.05Å; S411-V415 VanDerWaalsContact O-N 3.12Å; K412-V415 PolarHBondContact O-N 2.95Å; Q413-V415 PolarHBondContact O-N 3.1Å; V415-R418 WeakPolarHBondContact O-CB 3.48Å; V415-R418 PolarHBondContact O-N 2.73Å; V415-Q419 PolarHBondContact O-N 3.37Å
416	A	96	Very high	94.4	Very high	3 Å²	3	36.1 Å²	36.1	3%	0.025	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-44.2	174.7	0	0	0	0	0	112.1	A379 Q382 K412 Q413 R418 Q419 M420	A379-A416 HydrophobicContact CB-CB 4.16Å; Q382-A416 HydrophobicContact CB-CB 3.98Å; K412-A416 WeakPolarHBondContact O-CB 3.24Å; K412-A416 PolarHBondContact O-N 3.01Å; Q413-A416 PolarHBondContact O-N 3.49Å; A416-R418 VanDerWaalsContact C-N 3.31Å; A416-R418 PolarHBondContact O-N 3.36Å; A416-Q419 PolarHBondContact O-N 3.02Å; A416-M420 WeakPolarHBondContact O-CG 3.39Å; A416-M420 PolarHBondContact O-N 2.84Å
417	Y	95.4	Very high	94.1	Very high	11 Å²	11	41.6 Å²	41.6	4%	0.043	20%	0.2	C	C	.	.	H	α-helix	trans	-64.6	-35.8	176.4	-170.4	-133.1	0	0	0	112.7	Y383 Q413 A414 S421 R426 P434 D436 L440	Y383-Y417 AromaticContact CD2-CD2 3.46Å; Y383-Y417 HydrophobicContact CD2-CD2 3.46Å; Y383-Y417 VanDerWaalsContact CD2-CD2 3.46Å; Y383-Y417 HydrophobicContact CD2-CE2 4.29Å; Y383-Y417 AromaticContact CD2-CG 3.94Å; Y383-Y417 HydrophobicContact CD2-CG 3.94Å; Y383-Y417 AromaticContact CE2-CD2 3.29Å; Y383-Y417 HydrophobicContact CE2-CD2 3.29Å; Y383-Y417 AromaticContact CE2-CE2 3.67Å; Y383-Y417 HydrophobicContact CE2-CE2 3.67Å; Y383-Y417 AromaticContact CE2-CG 3.97Å; Y383-Y417 HydrophobicContact CE2-CG 3.97Å; Q413-Y417 PolarHBondContact O-N 2.8Å; A414-Y417 PolarHBondContact O-N 3.22Å; Y417-S421 VanDerWaalsContact O-CB 3.32Å; Y417-S421 WeakPolarHBondContact O-CB 3.49Å; Y417-S421 PolarHBondContact O-N 3.2Å; Y417-S421 PolarHBondContact O-OG 2.79Å; Y417-R426 PolarHBondContact OH-NH1 3.39Å; Y417-P434 HydrophobicContact CD1-CG 3.6Å; Y417-P434 HydrophobicContact CE1-CB 4.4Å; Y417-P434 HydrophobicContact CE1-CG 3.48Å; Y417-P434 VanDerWaalsContact CE1-CG 3.48Å; Y417-P434 HydrophobicContact CG-CG 4.49Å; Y417-D436 WeakPolarHBondContact CE1-OD1 3.45Å; Y417-D436 PolarHBondContact OH-OD1 2.69Å; Y417-D436 PolarHBondContact OH-OD2 2.87Å; Y417-L440 HydrophobicContact CD1-CB 4.41Å; Y417-L440 HydrophobicContact CD1-CD1 4.01Å; Y417-L440 HydrophobicContact CD1-CD2 3.93Å; Y417-L440 HydrophobicContact CD1-CG 4.35Å; Y417-L440 HydrophobicContact CD2-CD1 4.42Å; Y417-L440 HydrophobicContact CE1-CD1 4.33Å; Y417-L440 HydrophobicContact CG-CD1 4.06Å; Y417-L440 HydrophobicContact CG-CD2 4.12Å
418	R	95.6	Very high	93.9	Very high	69 Å²	69	45.3 Å²	45.3	26%	0.26	23%	0.225	S	C	.	.	H	α-helix	trans	-62.3	-46.5	173	-176.5	174	66.9	176.6	1.3	111.8	A414 V415 A416 S421 L422 E431 A432 Y433	A414-R418 WeakPolarHBondContact O-CB 3.27Å; A414-R418 PolarHBondContact O-N 3.47Å; V415-R418 WeakPolarHBondContact O-CB 3.48Å; V415-R418 PolarHBondContact O-N 2.73Å; A416-R418 VanDerWaalsContact C-N 3.31Å; A416-R418 PolarHBondContact O-N 3.36Å; R418-S421 PolarHBondContact O-N 2.88Å; R418-L422 HydrophobicContact CG-CD1 3.86Å; R418-L422 HydrophobicContact CG-CG 4.38Å; R418-L422 WeakPolarHBondContact O-CB 3.43Å; R418-L422 VanDerWaalsContact O-CG 3.29Å; R418-L422 WeakPolarHBondContact O-CG 3.45Å; R418-L422 PolarHBondContact O-N 2.71Å; R418-E431 PolarHBondContact NH1-O 2.68Å; R418-A432 VanDerWaalsContact CD-C 3.47Å; R418-A432 VanDerWaalsContact CD-O 3.29Å; R418-A432 WeakPolarHBondContact CD-O 3.37Å; R418-A432 VanDerWaalsContact CG-O 3.25Å; R418-A432 WeakPolarHBondContact CG-O 3.44Å; R418-Y433 HydrophobicContact CB-CD1 3.81Å; R418-Y433 HydrophobicContact CB-CE1 4.15Å; R418-Y433 HydrophobicContact CG-CD1 4.24Å
419	Q	93.8	Very high	93.7	Very high	100 Å²	100	47.1 Å²	47.1	47%	0.467	24%	0.244	S	C	.	.	H	α-helix	trans	-57.6	-51.8	176.2	179.3	178.4	-10.5	0	0	111.1	V415 A416 S421 L422 L423	V415-Q419 PolarHBondContact O-N 3.37Å; A416-Q419 PolarHBondContact O-N 3.02Å; Q419-S421 VanDerWaalsContact C-N 3.33Å; Q419-S421 PolarHBondContact O-N 3.46Å; Q419-L422 PolarHBondContact O-N 2.97Å; Q419-L423 HydrophobicContact CG-CD1 3.91Å; Q419-L423 WeakPolarHBondContact O-CG 3.4Å; Q419-L423 PolarHBondContact O-N 3.42Å; Q419-L423 VanDerWaalsContact O-N 3.11Å
420	M	91.3	Very high	93.5	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.02	27%	0.268	C	S	.	.	H	α-helix	trans	-56.7	-45.4	177.5	-68.2	162.1	60.1	0	0	112.2	L203 V213 P380 Y383 A416 L423 L424	L203-M420 HydrophobicContact CD1-CE 3.56Å; V213-M420 HydrophobicContact CG1-CE 4.31Å; P380-M420 HydrophobicContact CB-CE 4.46Å; P380-M420 HydrophobicContact CB-SD 4.28Å; P380-M420 HydrophobicContact CG-CG 4.32Å; P380-M420 HydrophobicContact CG-SD 4.32Å; Y383-M420 WeakPolarHBondContact CB-SD 3.45Å; Y383-M420 HydrophobicContact CD1-CE 3.89Å; Y383-M420 HydrophobicContact CD1-SD 4.33Å; Y383-M420 HydrophobicContact CD2-CE 4.12Å; Y383-M420 HydrophobicContact CD2-SD 4.12Å; Y383-M420 HydrophobicContact CE1-CE 4.28Å; Y383-M420 HydrophobicContact CE2-CE 4.45Å; Y383-M420 HydrophobicContact CG-CE 3.82Å; Y383-M420 HydrophobicContact CG-SD 3.74Å; A416-M420 WeakPolarHBondContact O-CG 3.39Å; A416-M420 PolarHBondContact O-N 2.84Å; M420-L423 PolarHBondContact O-N 3.35Å; M420-L424 WeakPolarHBondContact O-CB 3.16Å; M420-L424 WeakPolarHBondContact O-CG 3.19Å; M420-L424 PolarHBondContact O-N 2.82Å
421	S	91.9	Very high	93.2	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-67.5	-39.1	-176.5	-61.5	0	0	0	0	113	Y417 R418 Q419 L424 R425 R426 P434	Y417-S421 VanDerWaalsContact O-CB 3.32Å; Y417-S421 WeakPolarHBondContact O-CB 3.49Å; Y417-S421 PolarHBondContact O-N 3.2Å; Y417-S421 PolarHBondContact O-OG 2.79Å; R418-S421 PolarHBondContact O-N 2.88Å; Q419-S421 VanDerWaalsContact C-N 3.33Å; Q419-S421 PolarHBondContact O-N 3.46Å; S421-L424 CarbonylContact O-C 3.58Å; S421-L424 PolarHBondContact O-N 3.37Å; S421-R425 PolarHBondContact O-N 2.88Å; S421-R426 WeakPolarHBondContact O-CB 3.44Å; S421-R426 PolarHBondContact O-N 2.95Å; S421-P434 WeakPolarHBondContact OG-CG 3.32Å
422	L	92	Very high	93.1	Very high	79 Å²	79	58.2 Å²	58.2	41%	0.414	30%	0.295	S	S	.	.	H	α-helix	trans	-66.7	-40.9	176.4	-71.5	170.5	0	0	0	111.8	R418 Q419 R425 P428	R418-L422 HydrophobicContact CG-CD1 3.86Å; R418-L422 HydrophobicContact CG-CG 4.38Å; R418-L422 WeakPolarHBondContact O-CB 3.43Å; R418-L422 VanDerWaalsContact O-CG 3.29Å; R418-L422 WeakPolarHBondContact O-CG 3.45Å; R418-L422 PolarHBondContact O-N 2.71Å; Q419-L422 PolarHBondContact O-N 2.97Å; L422-R425 WeakPolarHBondContact O-CA 3.34Å; L422-R425 PolarHBondContact O-N 3.36Å; L422-P428 HydrophobicContact CD2-CB 3.96Å; L422-P428 HydrophobicContact CD2-CG 4.23Å
423	L	90.1	Very high	93	Very high	59 Å²	59	57 Å²	57	31%	0.309	29%	0.289	S	S	.	.	H	α-helix	trans	-69.1	-37.1	176.6	-66.6	170.5	0	0	0	112	D175 I177 Q419 M420 R425	D175-L423 HydrophobicContact CB-CD1 3.71Å; D175-L423 HydrophobicContact CB-CD2 3.73Å; D175-L423 HydrophobicContact CB-CG 4.36Å; D175-L423 WeakPolarHBondContact O-CD1 3.48Å; I177-L423 HydrophobicContact CD1-CB 3.42Å; I177-L423 VanDerWaalsContact CD1-CB 3.42Å; I177-L423 HydrophobicContact CD1-CD1 4.49Å; I177-L423 HydrophobicContact CG1-CB 4.15Å; Q419-L423 HydrophobicContact CG-CD1 3.91Å; Q419-L423 WeakPolarHBondContact O-CG 3.4Å; Q419-L423 PolarHBondContact O-N 3.42Å; Q419-L423 VanDerWaalsContact O-N 3.11Å; M420-L423 PolarHBondContact O-N 3.35Å; L423-R425 PolarHBondContact O-N 3.34Å; L423-R425 VanDerWaalsContact O-N 3.1Å
424	L	86.9	Confident	92.9	Very high	17 Å²	17	57.2 Å²	57.2	9%	0.089	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	7.4	166.8	-69.4	174.8	0	0	0	113.8	I177 L203 V213 M420 S421 R426	I177-L424 HydrophobicContact CD1-CD2 3.8Å; I177-L424 HydrophobicContact CD1-CG 3.7Å; I177-L424 HydrophobicContact CG2-CD2 4.02Å; L203-L424 HydrophobicContact CB-CD1 3.94Å; L203-L424 HydrophobicContact CD1-CD1 4.07Å; V213-L424 HydrophobicContact CG2-CD1 4.28Å; V213-L424 HydrophobicContact CG2-CD2 4.17Å; V213-L424 HydrophobicContact CG2-CG 4.42Å; M420-L424 WeakPolarHBondContact O-CB 3.16Å; M420-L424 WeakPolarHBondContact O-CG 3.19Å; M420-L424 PolarHBondContact O-N 2.82Å; S421-L424 CarbonylContact O-C 3.58Å; S421-L424 PolarHBondContact O-N 3.37Å; L424-R426 HydrophobicContact CB-CG 4.13Å; L424-R426 PolarHBondContact O-N 3.3Å
425	R	87.4	Confident	92.6	Very high	201 Å²	201	60 Å²	60	76%	0.758	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	24.4	179.6	-56	-176.4	-179.7	-178.6	0.9	114.5	S421 L422 L423	S421-R425 PolarHBondContact O-N 2.88Å; L422-R425 WeakPolarHBondContact O-CA 3.34Å; L422-R425 PolarHBondContact O-N 3.36Å; L423-R425 PolarHBondContact O-N 3.34Å; L423-R425 VanDerWaalsContact O-N 3.1Å
426	R	89.1	Confident	92.5	Very high	71 Å²	71	59.7 Å²	59.7	27%	0.268	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-68.5	135.2	175.5	-62.8	-176.1	175.2	-165.5	-3.7	109.3	L203 N204 Y417 S421 L424 P428	L203-R426 PolarHBondContact O-NH2 2.68Å; N204-R426 PolarHBondContact OD1-NE 2.85Å; N204-R426 PolarHBondContact OD1-NH2 2.65Å; Y417-R426 PolarHBondContact OH-NH1 3.39Å; S421-R426 WeakPolarHBondContact O-CB 3.44Å; S421-R426 PolarHBondContact O-N 2.95Å; L424-R426 HydrophobicContact CB-CG 4.13Å; L424-R426 PolarHBondContact O-N 3.3Å; R426-P428 WeakPolarHBondContact O-CD 3.46Å
427	P	91.4	Very high	92.4	Very high	115 Å²	115	59.5 Å²	59.5	75%	0.747	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-56.3	123.9	-179	-28.5	36.1	0	0	0	112.9
428	P	95.1	Very high	92.5	Very high	79 Å²	79	63.3 Å²	63.3	51%	0.513	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-77.6	147.8	177.8	30.6	-34.1	0	0	0	112.1	L422 R426 A432	L422-P428 HydrophobicContact CD2-CB 3.96Å; L422-P428 HydrophobicContact CD2-CG 4.23Å; R426-P428 WeakPolarHBondContact O-CD 3.46Å; P428-A432 HydrophobicContact CB-CB 4.46Å
429	G	93	Very high	92.5	Very high	42 Å²	42	66.6 Å²	66.6	43%	0.433	35%	0.345	S	S	.	.			trans	-106.7	-144.5	170.9	0	0	0	0	0	112.7	A432 Y433	G429-A432 WeakPolarHBondContact O-CA 3.14Å; G429-A432 PolarHBondContact O-N 2.55Å; G429-Y433 WeakPolarHBondContact CA-O 3.33Å; G429-Y433 PolarHBondContact N-O 2.66Å
430	R	92.3	Very high	92.6	Very high	136 Å²	136	62 Å²	62	51%	0.513	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-56.7	137.7	-179.1	177.2	173	168	-179.9	-10.9	111.5	A432 Y433 S474 Y476	R430-A432 PolarHBondContact O-N 2.89Å; R430-A432 VanDerWaalsContact O-N 3.08Å; R430-Y433 PolarHBondContact O-N 3.48Å; R430-S474 PolarHBondContact NH2-O 2.86Å; R430-S474 VanDerWaalsContact NH2-O 3.08Å; R430-Y476 HydrophobicContact CB-CD1 4.15Å; R430-Y476 HydrophobicContact CB-CE1 4.2Å; R430-Y476 HydrophobicContact CG-CD1 4.23Å; R430-Y476 HydrophobicContact CG-CG 4.26Å
431	E	90.7	Very high	92.9	Very high	78 Å²	78	61.8 Å²	61.8	36%	0.364	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	54.1	28.4	-179.9	-68.5	156.9	-136.7	0	0	112.8	R418 Y433 Y476	R418-E431 PolarHBondContact NH1-O 2.68Å; E431-Y433 HydrophobicContact CB-CD2 3.7Å; E431-Y433 HydrophobicContact CB-CE2 3.8Å; E431-Y433 WeakPolarHBondContact O-CD2 3.45Å; E431-Y433 PolarHBondContact O-N 3.02Å; E431-Y433 VanDerWaalsContact O-N 3.17Å; E431-Y476 WeakPolarHBondContact OE1-CB 3.24Å; E431-Y476 PolarHBondContact OE1-N 3.47Å; E431-Y476 VanDerWaalsContact OE2-CB 3.27Å; E431-Y476 WeakPolarHBondContact OE2-CB 3.42Å; E431-Y476 PolarHBondContact OE2-N 3.49Å
432	A	94.9	Very high	93.1	Very high	41 Å²	41	62.7 Å²	62.7	34%	0.339	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	59.2	9.3	-173.8	0	0	0	0	0	116.1	R418 P428 G429 R430	R418-A432 VanDerWaalsContact CD-C 3.47Å; R418-A432 VanDerWaalsContact CD-O 3.29Å; R418-A432 WeakPolarHBondContact CD-O 3.37Å; R418-A432 VanDerWaalsContact CG-O 3.25Å; R418-A432 WeakPolarHBondContact CG-O 3.44Å; P428-A432 HydrophobicContact CB-CB 4.46Å; G429-A432 WeakPolarHBondContact O-CA 3.14Å; G429-A432 PolarHBondContact O-N 2.55Å; R430-A432 PolarHBondContact O-N 2.89Å; R430-A432 VanDerWaalsContact O-N 3.08Å
433	Y	95.6	Very high	93.3	Very high	24 Å²	24	61.7 Å²	61.7	9%	0.094	32%	0.319	C	S	.	.			trans	-71.6	149.9	173	-67.6	-82.8	0	0	0	111	A414 R418 G429 R430 E431 V437 Y476 I477	A414-Y433 HydrophobicContact CB-CD1 4.36Å; A414-Y433 HydrophobicContact CB-CE1 3.8Å; R418-Y433 HydrophobicContact CB-CD1 3.81Å; R418-Y433 HydrophobicContact CB-CE1 4.15Å; R418-Y433 HydrophobicContact CG-CD1 4.24Å; G429-Y433 WeakPolarHBondContact CA-O 3.33Å; G429-Y433 PolarHBondContact N-O 2.66Å; R430-Y433 PolarHBondContact O-N 3.48Å; E431-Y433 HydrophobicContact CB-CD2 3.7Å; E431-Y433 HydrophobicContact CB-CE2 3.8Å; E431-Y433 WeakPolarHBondContact O-CD2 3.45Å; E431-Y433 PolarHBondContact O-N 3.02Å; E431-Y433 VanDerWaalsContact O-N 3.17Å; Y433-V437 HydrophobicContact CD1-CG2 4.13Å; Y433-Y476 AromaticContact CD2-CD1 3.96Å; Y433-Y476 HydrophobicContact CD2-CD1 3.96Å; Y433-Y476 HydrophobicContact CG-CD1 4.44Å; Y433-I477 HydrophobicContact CD1-CD1 4.01Å; Y433-I477 HydrophobicContact CD1-CG1 4.49Å; Y433-I477 HydrophobicContact CD2-CD1 4.23Å; Y433-I477 HydrophobicContact CD2-CG1 4.41Å; Y433-I477 HydrophobicContact CE1-CD1 3.96Å; Y433-I477 HydrophobicContact CE1-CG1 3.96Å; Y433-I477 HydrophobicContact CE2-CD1 4.15Å; Y433-I477 HydrophobicContact CE2-CG1 3.84Å; Y433-I477 HydrophobicContact CG-CD1 4.16Å
434	P	94	Very high	93.7	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.032	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-66.4	151.3	173.7	33	-39	0	0	0	110.7	Y417 S421 D436 V437	Y417-P434 HydrophobicContact CD1-CG 3.6Å; Y417-P434 HydrophobicContact CE1-CB 4.4Å; Y417-P434 HydrophobicContact CE1-CG 3.48Å; Y417-P434 VanDerWaalsContact CE1-CG 3.48Å; Y417-P434 HydrophobicContact CG-CG 4.49Å; S421-P434 WeakPolarHBondContact OG-CG 3.32Å; P434-D436 WeakPolarHBondContact CB-OD1 3.48Å; P434-D436 PolarHBondContact O-N 2.76Å; P434-D436 VanDerWaalsContact O-N 3.08Å; P434-V437 HydrophobicContact CG-CB 4.41Å; P434-V437 WeakPolarHBondContact O-CB 3.45Å; P434-V437 WeakPolarHBondContact O-CG1 3.29Å; P434-V437 PolarHBondContact O-N 2.9Å
435	G	91.9	Very high	94.2	Very high	59 Å²	59	58.1 Å²	58.1	61%	0.608	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.5	-173.7	0	0	0	0	0	115.1
436	D	93.7	Very high	94.7	Very high	57 Å²	57	51.4 Å²	51.4	31%	0.305	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	10.5	178.9	70.6	-35.1	0	0	0	113.7	Y417 P434 F438 Y439 L440	Y417-D436 WeakPolarHBondContact CE1-OD1 3.45Å; Y417-D436 PolarHBondContact OH-OD1 2.69Å; Y417-D436 PolarHBondContact OH-OD2 2.87Å; P434-D436 WeakPolarHBondContact CB-OD1 3.48Å; P434-D436 PolarHBondContact O-N 2.76Å; P434-D436 VanDerWaalsContact O-N 3.08Å; D436-F438 PolarHBondContact O-N 3Å; D436-F438 VanDerWaalsContact O-N 3.1Å; D436-Y439 WeakPolarHBondContact O-CA 3.3Å; D436-Y439 VanDerWaalsContact O-CB 3.3Å; D436-Y439 WeakPolarHBondContact O-CB 3.27Å; D436-Y439 PolarHBondContact O-N 2.89Å; D436-L440 PolarHBondContact O-N 2.73Å
437	V	95.1	Very high	95.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-22.6	176.6	73.8	0	0	0	0	113.2	A414 Y433 P434 L440 Y476 I477	A414-V437 HydrophobicContact CB-CG2 4.27Å; Y433-V437 HydrophobicContact CD1-CG2 4.13Å; P434-V437 HydrophobicContact CG-CB 4.41Å; P434-V437 WeakPolarHBondContact O-CB 3.45Å; P434-V437 WeakPolarHBondContact O-CG1 3.29Å; P434-V437 PolarHBondContact O-N 2.9Å; V437-L440 WeakPolarHBondContact O-CB 3.3Å; V437-Y476 HydrophobicContact CG1-CD1 4.31Å; V437-Y476 HydrophobicContact CG1-CE1 3.52Å; V437-I477 HydrophobicContact CG1-CD1 4.15Å; V437-I477 HydrophobicContact CG2-CD1 3.7Å
438	F	96.8	Very high	95.4	Very high	90 Å²	90	42.7 Å²	42.7	40%	0.395	23%	0.23	S	C	.	.	H	α-helix	trans	-69.8	-40.8	168.1	-179.2	-87.8	0	0	0	112.2	D436 L440 H441 S442 N480 I484	D436-F438 PolarHBondContact O-N 3Å; D436-F438 VanDerWaalsContact O-N 3.1Å; F438-L440 VanDerWaalsContact C-N 3.32Å; F438-L440 PolarHBondContact O-N 3.21Å; F438-H441 PolarHBondContact O-N 3.47Å; F438-S442 WeakPolarHBondContact O-CB 3.31Å; F438-S442 PolarHBondContact O-N 2.69Å; F438-S442 PolarHBondContact O-OG 3.37Å; F438-N480 HydrophobicContact CD2-CB 4.08Å; F438-I484 HydrophobicContact CD2-CD1 4.11Å; F438-I484 HydrophobicContact CE2-CD1 3.81Å; F438-I484 HydrophobicContact CE2-CG1 3.76Å; F438-I484 HydrophobicContact CZ-CD1 4.14Å; F438-I484 HydrophobicContact CZ-CG1 3.85Å
439	Y	95.6	Very high	95.5	Very high	139 Å²	139	39.1 Å²	39.1	55%	0.545	21%	0.207	S	C	.	.	H	α-helix	trans	-64.9	-36.4	176.8	-176.7	-121.7	0	0	0	111.7	D436 H441 S442 R443	D436-Y439 WeakPolarHBondContact O-CA 3.3Å; D436-Y439 VanDerWaalsContact O-CB 3.3Å; D436-Y439 WeakPolarHBondContact O-CB 3.27Å; D436-Y439 PolarHBondContact O-N 2.89Å; Y439-H441 PolarHBondContact O-N 3.16Å; Y439-S442 VanDerWaalsContact CA-OG 3.31Å; Y439-S442 WeakPolarHBondContact CA-OG 3.29Å; Y439-S442 PolarHBondContact O-N 3.23Å; Y439-S442 PolarHBondContact O-OG 3.37Å; Y439-R443 HydrophobicContact CD2-CB 4.3Å; Y439-R443 HydrophobicContact CE2-CB 3.95Å; Y439-R443 VanDerWaalsContact O-CB 3.29Å; Y439-R443 WeakPolarHBondContact O-CB 3.29Å; Y439-R443 WeakPolarHBondContact O-CG 3.3Å; Y439-R443 PolarHBondContact O-N 3.21Å
440	L	95.6	Very high	95.7	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-50.9	-57.9	172.5	-172.7	82.7	0	0	0	112.1	Y383 Y387 Q413 Y417 D436 V437 F438 L444	Y383-L440 HydrophobicContact CD2-CD1 3.95Å; Y383-L440 HydrophobicContact CE2-CD1 3.42Å; Y383-L440 VanDerWaalsContact CE2-CD1 3.42Å; Y387-L440 HydrophobicContact CE2-CD1 4.17Å; Y387-L440 VanDerWaalsContact OH-CD1 3.24Å; Y387-L440 WeakPolarHBondContact OH-CD1 3.5Å; Y387-L440 PolarHBondContact OH-O 2.93Å; Q413-L440 HydrophobicContact CG-CD2 4.44Å; Y417-L440 HydrophobicContact CD1-CB 4.41Å; Y417-L440 HydrophobicContact CD1-CD1 4.01Å; Y417-L440 HydrophobicContact CD1-CD2 3.93Å; Y417-L440 HydrophobicContact CD1-CG 4.35Å; Y417-L440 HydrophobicContact CD2-CD1 4.42Å; Y417-L440 HydrophobicContact CE1-CD1 4.33Å; Y417-L440 HydrophobicContact CG-CD1 4.06Å; Y417-L440 HydrophobicContact CG-CD2 4.12Å; D436-L440 PolarHBondContact O-N 2.73Å; V437-L440 WeakPolarHBondContact O-CB 3.3Å; F438-L440 VanDerWaalsContact C-N 3.32Å; F438-L440 PolarHBondContact O-N 3.21Å; L440-L444 WeakPolarHBondContact O-CB 3.41Å; L440-L444 PolarHBondContact O-N 2.66Å
441	H	97.7	Very high	96	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-76.2	-32.7	-176.5	-62.6	143	0	0	0	112.9	F438 Y439 L445 V481 I484	F438-H441 PolarHBondContact O-N 3.47Å; Y439-H441 PolarHBondContact O-N 3.16Å; H441-L445 VanDerWaalsContact O-CB 3.3Å; H441-L445 WeakPolarHBondContact O-CB 3.29Å; H441-L445 VanDerWaalsContact O-CG 3.29Å; H441-L445 WeakPolarHBondContact O-CG 3.46Å; H441-L445 PolarHBondContact O-N 2.77Å; H441-V481 HydrophobicContact CB-CG2 4.32Å; H441-I484 HydrophobicContact CB-CD1 3.89Å
442	S	96.8	Very high	96.2	Very high	21 Å²	21	29 Å²	29	15%	0.147	16%	0.155	C	C	.	.	H	α-helix	trans	-70.7	-44.1	178.2	51.1	0	0	0	0	112.2	F438 Y439 L444 L445 E446	F438-S442 WeakPolarHBondContact O-CB 3.31Å; F438-S442 PolarHBondContact O-N 2.69Å; F438-S442 PolarHBondContact O-OG 3.37Å; Y439-S442 VanDerWaalsContact CA-OG 3.31Å; Y439-S442 WeakPolarHBondContact CA-OG 3.29Å; Y439-S442 PolarHBondContact O-N 3.23Å; Y439-S442 PolarHBondContact O-OG 3.37Å; S442-L444 PolarHBondContact O-N 2.94Å; S442-L445 PolarHBondContact O-N 3.43Å; S442-E446 WeakPolarHBondContact O-CB 3.35Å; S442-E446 PolarHBondContact O-N 3.15Å
443	R	96.3	Very high	96.2	Very high	59 Å²	59	32 Å²	32	22%	0.223	17%	0.165	C	C	.	.	H	α-helix	trans	-63.9	-28.7	176.3	88.1	-179.1	-173.4	154.9	-0.3	112.6	E189 Y383 Y387 Y439 R447	E189-R443 IonicContact OE1-CZ 3.51Å; E189-R443 IonicContact OE1-NH1 3.97Å; E189-R443 PolarHBondContact OE1-NH1 3.19Å; E189-R443 IonicContact OE1-NH2 3.74Å; E189-R443 PolarHBondContact OE1-NH2 2.98Å; E189-R443 IonicContact OE2-NH1 2.67Å; Y383-R443 PolarHBondContact OH-NH2 2.94Å; Y387-R443 HydrophobicContact CE1-CG 3.92Å; Y387-R443 PolarHBondContact OH-NE 3.29Å; Y439-R443 HydrophobicContact CD2-CB 4.3Å; Y439-R443 HydrophobicContact CE2-CB 3.95Å; Y439-R443 VanDerWaalsContact O-CB 3.29Å; Y439-R443 WeakPolarHBondContact O-CB 3.29Å; Y439-R443 WeakPolarHBondContact O-CG 3.3Å; Y439-R443 PolarHBondContact O-N 3.21Å; R443-R447 WeakPolarHBondContact O-CD 3.43Å
444	L	97.9	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-74.4	-54.7	172.4	177.7	66.2	0	0	0	112.1	P386 Y387 C390 Y407 L410 L440 S442 R447	P386-L444 HydrophobicContact CB-CD1 4.1Å; P386-L444 HydrophobicContact CB-CD2 3.65Å; Y387-L444 HydrophobicContact CD1-CD1 3.99Å; Y387-L444 HydrophobicContact CE1-CB 4.02Å; Y387-L444 HydrophobicContact CE1-CD1 4.2Å; Y387-L444 HydrophobicContact CG-CD1 4.39Å; C390-L444 HydrophobicContact CB-CD1 3.92Å; Y407-L444 HydrophobicContact CE1-CD1 4.22Å; Y407-L444 HydrophobicContact CE1-CD2 4.31Å; L410-L444 HydrophobicContact CD2-CD2 3.99Å; L440-L444 WeakPolarHBondContact O-CB 3.41Å; L440-L444 PolarHBondContact O-N 2.66Å; S442-L444 PolarHBondContact O-N 2.94Å; L444-R447 WeakPolarHBondContact O-CB 3.31Å; L444-R447 PolarHBondContact O-N 3.02Å
445	L	97.9	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-77	-27.6	-169.8	-66.9	172.5	0	0	0	113.4	R303 Y407 L410 H441 S442 R447 A448 A462 P464 V481 I484 T485	R303-L445 WeakPolarHBondContact CD-O 3.43Å; Y407-L445 HydrophobicContact CD2-CD2 4.23Å; Y407-L445 HydrophobicContact CE2-CD2 3.77Å; L410-L445 HydrophobicContact CD1-CD1 4.3Å; L410-L445 HydrophobicContact CD1-CD2 4.48Å; H441-L445 VanDerWaalsContact O-CB 3.3Å; H441-L445 WeakPolarHBondContact O-CB 3.29Å; H441-L445 VanDerWaalsContact O-CG 3.29Å; H441-L445 WeakPolarHBondContact O-CG 3.46Å; H441-L445 PolarHBondContact O-N 2.77Å; S442-L445 PolarHBondContact O-N 3.43Å; L445-R447 PolarHBondContact O-N 3.41Å; L445-A448 PolarHBondContact O-N 3.47Å; L445-A448 VanDerWaalsContact O-N 3.16Å; L445-A462 HydrophobicContact CD2-CB 4.38Å; L445-P464 HydrophobicContact CD1-CG 4.38Å; L445-P464 HydrophobicContact CD2-CB 4.16Å; L445-P464 HydrophobicContact CD2-CG 4.06Å; L445-V481 HydrophobicContact CD1-CG1 4.11Å; L445-I484 HydrophobicContact CB-CG2 3.77Å; L445-I484 HydrophobicContact CD1-CB 4.48Å; L445-I484 HydrophobicContact CD1-CG2 3.77Å; L445-I484 HydrophobicContact CG-CG2 4.39Å; L445-T485 HydrophobicContact CD1-CG2 4.13Å
446	E	97.2	Very high	96.3	Very high	60 Å²	60	42.4 Å²	42.4	28%	0.28	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-12.6	173.6	-81.2	-64.8	145.2	0	0	114.4	A272 R278 R303 S442 A448	A272-E446 HydrophobicContact CB-CB 3.77Å; A272-E446 WeakPolarHBondContact CB-O 3.48Å; R278-E446 IonicContact CZ-OE2 3.47Å; R278-E446 VanDerWaalsContact CZ-OE2 3.23Å; R278-E446 IonicContact NH1-OE2 3.28Å; R278-E446 PolarHBondContact NH1-OE2 3.23Å; R278-E446 PolarHBondContact NH2-O 3.48Å; R278-E446 IonicContact NH2-OE2 2.77Å; R278-E446 PolarHBondContact NH2-OE2 2.79Å; R303-E446 IonicContact CZ-OE1 3.41Å; R303-E446 IonicContact NH1-OE1 2.86Å; R303-E446 PolarHBondContact NH1-OE1 3.24Å; R303-E446 IonicContact NH1-OE2 2.84Å; R303-E446 IonicContact NH2-OE1 3.74Å; R303-E446 PolarHBondContact NH2-OE1 3.35Å; S442-E446 WeakPolarHBondContact O-CB 3.35Å; S442-E446 PolarHBondContact O-N 3.15Å; E446-A448 VanDerWaalsContact C-N 3.32Å
447	R	97.6	Very high	96.3	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.008	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-21.5	173.6	-68.6	167.8	71.9	-177.5	4.4	112.8	V268 L270 A272 S391 E394 R397 R443 L444 L445 A449	V268-R447 PolarHBondContact O-NH1 3.07Å; V268-R447 PolarHBondContact O-NH2 3.22Å; L270-R447 WeakPolarHBondContact O-CD 3.48Å; A272-R447 HydrophobicContact CB-CG 3.97Å; S391-R447 PolarHBondContact OG-NH2 2.85Å; E394-R447 VanDerWaalsContact CD-NE 3.3Å; E394-R447 WeakPolarHBondContact OE1-CB 2.95Å; E394-R447 IonicContact OE1-CZ 2.76Å; E394-R447 IonicContact OE1-NE 3.54Å; E394-R447 PolarHBondContact OE1-NE 3.32Å; E394-R447 IonicContact OE1-NH2 3.54Å; E394-R447 IonicContact OE2-CZ 2.69Å; E394-R447 IonicContact OE2-NE 3.57Å; E394-R447 PolarHBondContact OE2-NE 3.07Å; E394-R447 IonicContact OE2-NH2 3.85Å; E394-R447 PolarHBondContact OE2-NH2 3.1Å; R397-R447 PolarHBondContact NH1-O 2.83Å; R443-R447 WeakPolarHBondContact O-CD 3.43Å; L444-R447 WeakPolarHBondContact O-CB 3.31Å; L444-R447 PolarHBondContact O-N 3.02Å; L445-R447 PolarHBondContact O-N 3.41Å; R447-A449 PolarHBondContact O-N 2.96Å
448	A	97.5	Very high	96.4	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	21%	0.205	C	C	.	.			trans	-79.2	113.5	171.5	0	0	0	0	0	109.9	R303 L445 E446 L460 A462	R303-A448 HydrophobicContact CG-CB 3.8Å; L445-A448 PolarHBondContact O-N 3.47Å; L445-A448 VanDerWaalsContact O-N 3.16Å; E446-A448 VanDerWaalsContact C-N 3.32Å; A448-L460 CarbonylContact C-O 3.59Å; A448-L460 VanDerWaalsContact CA-O 3.23Å; A448-L460 WeakPolarHBondContact CA-O 3.14Å; A448-L460 HydrophobicContact CB-CG 4.26Å; A448-L460 VanDerWaalsContact CB-O 3.29Å; A448-L460 WeakPolarHBondContact CB-O 3.4Å; A448-A462 HydrophobicContact CB-CB 3.65Å
449	A	97.2	Very high	96.4	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.033	19%	0.186	C	C	.	.			trans	-158	164.9	-176.4	0	0	0	0	0	111.4	R278 R447 S459 L460	R278-A449 HydrophobicContact CG-CB 4.17Å; R447-A449 PolarHBondContact O-N 2.96Å; A449-S459 WeakPolarHBondContact O-CA 3.45Å; A449-L460 PolarHBondContact N-O 2.91Å; A449-L460 PolarHBondContact O-N 3.43Å
450	K	97.7	Very high	96.6	Very high	7 Å²	7	29.2 Å²	29.2	3%	0.03	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-95.2	122.4	165.5	-173.2	64.1	157.5	77.7	0	109.5	R278 I279 V281 E283 G457	R278-K450 WeakPolarHBondContact CA-O 3.28Å; I279-K450 HydrophobicContact CG2-CB 4.21Å; I279-K450 HydrophobicContact CG2-CG 3.53Å; I279-K450 PolarHBondContact N-O 2.73Å; V281-K450 HydrophobicContact CG2-CB 4.36Å; E283-K450 WeakPolarHBondContact OE1-CE 3.34Å; E283-K450 IonicContact OE1-NZ 3.36Å; E283-K450 PolarHBondContact OE1-NZ 3.45Å; E283-K450 WeakPolarHBondContact OE2-CE 3.45Å; E283-K450 IonicContact OE2-NZ 3.7Å; E283-K450 PolarHBondContact OE2-NZ 2.79Å; K450-G457 PolarHBondContact NZ-O 2.85Å
451	M	97.7	Very high	96.7	Very high	11 Å²	11	29 Å²	29	5%	0.054	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-78.9	149.2	175.2	-55.6	-55.5	-70.4	0	0	110.5	P273 P277 I279 R397 F455 G457 G458	P273-M451 HydrophobicContact CB-CE 4.31Å; P273-M451 HydrophobicContact CB-SD 4.14Å; P273-M451 HydrophobicContact CG-CE 4.45Å; P273-M451 HydrophobicContact CG-SD 3.97Å; P277-M451 HydrophobicContact CB-CE 3.61Å; P277-M451 WeakPolarHBondContact O-CA 3.4Å; I279-M451 VanDerWaalsContact CG2-O 3.26Å; I279-M451 WeakPolarHBondContact CG2-O 3.24Å; R397-M451 HydrophobicContact CG-CG 3.73Å; R397-M451 HydrophobicContact CG-SD 4.38Å; M451-F455 HydrophobicContact CB-CB 4.22Å; M451-F455 HydrophobicContact CE-CB 3.73Å; M451-F455 HydrophobicContact CE-CG 4.13Å; M451-G457 WeakPolarHBondContact O-CA 3.27Å; M451-G458 WeakPolarHBondContact CB-O 3.46Å; M451-G458 PolarHBondContact N-O 3.34Å
452	N	96.4	Very high	96.8	Very high	26 Å²	26	29 Å²	29	14%	0.139	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-75.4	167.8	171.3	80.5	40.5	0	0	0	111.3	I276 P277 I279 N454 F455 G457	I276-N452 PolarHBondContact O-ND2 2.97Å; P277-N452 PolarHBondContact O-N 2.89Å; I279-N452 HydrophobicContact CB-CB 3.99Å; I279-N452 HydrophobicContact CG2-CB 4.47Å; N452-N454 VanDerWaalsContact C-N 3.27Å; N452-N454 PolarHBondContact O-N 2.92Å; N452-N454 WeakPolarHBondContact OD1-CA 3.24Å; N452-N454 WeakPolarHBondContact OD1-CB 3.13Å; N452-N454 PolarHBondContact OD1-N 2.7Å; N452-F455 CarbonylContact O-C 3.51Å; N452-F455 PolarHBondContact O-N 3.16Å; N452-F455 WeakPolarHBondContact OD1-CD2 3.45Å; N452-F455 PolarHBondContact OD1-N 3.45Å; N452-G457 WeakPolarHBondContact O-CA 3.24Å; N452-G457 PolarHBondContact O-N 2.94Å
453	D	94.6	Very high	96.9	Very high	103 Å²	103	28.1 Å²	28.1	55%	0.551	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	-66.7	-24.9	-170.6	-54.8	-47.1	0	0	0	113.1	R282 F455 G456	R282-D453 IonicContact NH2-OD1 2.69Å; R282-D453 IonicContact NH2-OD2 3.42Å; D453-F455 VanDerWaalsContact C-N 3.31Å; D453-F455 PolarHBondContact O-N 2.95Å; D453-G456 PolarHBondContact O-N 2.89Å
454	N	95.1	Very high	97	Very high	154 Å²	154	25.3 Å²	25.3	82%	0.824	14%	0.142	S	C	*	.	G	3₁₀ helix	trans	-72.9	-23.2	173.7	-61.5	-3.3	0	0	0	112.7	N452	N452-N454 VanDerWaalsContact C-N 3.27Å; N452-N454 PolarHBondContact O-N 2.92Å; N452-N454 WeakPolarHBondContact OD1-CA 3.24Å; N452-N454 WeakPolarHBondContact OD1-CB 3.13Å; N452-N454 PolarHBondContact OD1-N 2.7Å
455	F	94.2	Very high	97	Very high	106 Å²	106	25.3 Å²	25.3	47%	0.465	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-103.4	36.8	172.7	-67.5	-85.2	0	0	0	110.9	P277 M451 N452 D453 G457	P277-F455 HydrophobicContact CB-CD2 3.67Å; P277-F455 HydrophobicContact CB-CE2 3.73Å; P277-F455 HydrophobicContact CB-CG 4.09Å; P277-F455 HydrophobicContact CB-CZ 4.2Å; P277-F455 HydrophobicContact CG-CD2 4.35Å; P277-F455 HydrophobicContact CG-CE2 3.91Å; P277-F455 HydrophobicContact CG-CZ 4.03Å; M451-F455 HydrophobicContact CB-CB 4.22Å; M451-F455 HydrophobicContact CE-CB 3.73Å; M451-F455 HydrophobicContact CE-CG 4.13Å; N452-F455 CarbonylContact O-C 3.51Å; N452-F455 PolarHBondContact O-N 3.16Å; N452-F455 WeakPolarHBondContact OD1-CD2 3.45Å; N452-F455 PolarHBondContact OD1-N 3.45Å; D453-F455 VanDerWaalsContact C-N 3.31Å; D453-F455 PolarHBondContact O-N 2.95Å; F455-G457 PolarHBondContact O-N 3.19Å
456	G	92.8	Very high	97	Very high	47 Å²	47	25.3 Å²	25.3	49%	0.485	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	-5.3	173.8	0	0	0	0	0	116	G400 D453 G458	G400-G456 VanDerWaalsContact CA-O 3.24Å; G400-G456 WeakPolarHBondContact CA-O 3.47Å; D453-G456 PolarHBondContact O-N 2.89Å; G456-G458 PolarHBondContact O-N 2.9Å; G456-G458 VanDerWaalsContact O-N 3.16Å
457	G	94.7	Very high	96.9	Very high	9 Å²	9	23.9 Å²	23.9	9%	0.093	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	2.9	174.8	0	0	0	0	0	116.5	K450 M451 N452 F455	K450-G457 PolarHBondContact NZ-O 2.85Å; M451-G457 WeakPolarHBondContact O-CA 3.27Å; N452-G457 WeakPolarHBondContact O-CA 3.24Å; N452-G457 PolarHBondContact O-N 2.94Å; F455-G457 PolarHBondContact O-N 3.19Å
458	G	97.1	Very high	96.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.			trans	-68.6	174.8	-177.8	0	0	0	0	0	114.1	R397 K401 M451 G456	R397-G458 WeakPolarHBondContact O-CA 3.39Å; K401-G458 VanDerWaalsContact O-CA 3.22Å; K401-G458 WeakPolarHBondContact O-CA 3.37Å; M451-G458 WeakPolarHBondContact CB-O 3.46Å; M451-G458 PolarHBondContact N-O 3.34Å; G456-G458 PolarHBondContact O-N 2.9Å; G456-G458 VanDerWaalsContact O-N 3.16Å
459	S	98.1	Very high	96.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	143.6	-176.9	71.2	0	0	0	0	114.2	K401 H402 A403 A449	K401-S459 PolarHBondContact O-N 2.93Å; H402-S459 CarbonylContact C-O 3.39Å; H402-S459 WeakPolarHBondContact CA-O 3.39Å; H402-S459 PolarHBondContact ND1-OG 3.44Å; A403-S459 PolarHBondContact N-O 3.18Å; A449-S459 WeakPolarHBondContact O-CA 3.45Å
460	L	98.5	Very high	95.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.8	162.8	-179.5	61.3	0	0	0	109	G301 E394 R397 A403 I405 A448 A449	G301-L460 WeakPolarHBondContact CA-O 3.4Å; E394-L460 HydrophobicContact CG-CD2 4.09Å; R397-L460 HydrophobicContact CB-CB 4.19Å; R397-L460 HydrophobicContact CG-CB 4.37Å; A403-L460 HydrophobicContact CB-CD1 3.84Å; I405-L460 HydrophobicContact CB-CD1 4.07Å; I405-L460 HydrophobicContact CG2-CD1 3.75Å; I405-L460 HydrophobicContact CG2-CD2 4.43Å; I405-L460 HydrophobicContact CG2-CG 4.1Å; A448-L460 CarbonylContact C-O 3.59Å; A448-L460 VanDerWaalsContact CA-O 3.23Å; A448-L460 WeakPolarHBondContact CA-O 3.14Å; A448-L460 HydrophobicContact CB-CG 4.26Å; A448-L460 VanDerWaalsContact CB-O 3.29Å; A448-L460 WeakPolarHBondContact CB-O 3.4Å; A449-L460 PolarHBondContact N-O 2.91Å; A449-L460 PolarHBondContact O-N 3.43Å
461	T	98.7	Very high	95.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	135.5	177.1	-43.1	0	0	0	0	108.5	M285 I298 G299 R300 G301 Q302 A403 L404 I405	M285-T461 HydrophobicContact CG-CG2 4.27Å; I298-T461 HydrophobicContact CG2-CG2 4.13Å; G299-T461 WeakPolarHBondContact O-CG2 3.4Å; R300-T461 WeakPolarHBondContact CA-OG1 3.36Å; G301-T461 PolarHBondContact N-OG1 2.96Å; Q302-T461 WeakPolarHBondContact O-CA 3.43Å; Q302-T461 VanDerWaalsContact O-CG2 3.25Å; Q302-T461 WeakPolarHBondContact O-CG2 3.5Å; A403-T461 PolarHBondContact O-N 2.85Å; A403-T461 PolarHBondContact O-OG1 3.25Å; L404-T461 CarbonylContact C-O 3.51Å; L404-T461 WeakPolarHBondContact CA-O 3.06Å; L404-T461 HydrophobicContact CD1-CG2 4.12Å; I405-T461 PolarHBondContact N-O 2.89Å
462	A	98.6	Very high	95	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136	-177.7	0	0	0	0	0	113	Q302 R303 E304 I405 Y407 L445 A448 P464	Q302-A462 PolarHBondContact O-N 3.2Å; R303-A462 CarbonylContact C-O 3.58Å; R303-A462 VanDerWaalsContact CA-O 3.26Å; R303-A462 WeakPolarHBondContact CA-O 3.38Å; R303-A462 HydrophobicContact CB-CB 4.42Å; R303-A462 HydrophobicContact CG-CB 4.25Å; E304-A462 PolarHBondContact N-O 3.38Å; I405-A462 HydrophobicContact CG2-CB 3.97Å; I405-A462 CarbonylContact O-C 3.49Å; I405-A462 WeakPolarHBondContact O-CA 3.33Å; Y407-A462 HydrophobicContact CE2-CB 4.18Å; L445-A462 HydrophobicContact CD2-CB 4.38Å; A448-A462 HydrophobicContact CB-CB 3.65Å; A462-P464 WeakPolarHBondContact O-CD 3.45Å
463	L	98.7	Very high	94.6	Very high	1 Å²	1	39 Å²	39	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	80.4	168	-56.9	-178.9	0	0	0	109.2	I298 E304 I306 T321 L404 I405 I406 Y407	I298-L463 HydrophobicContact CD1-CD2 3.76Å; I298-L463 HydrophobicContact CG2-CD2 4.44Å; E304-L463 HydrophobicContact CB-CD2 3.94Å; E304-L463 WeakPolarHBondContact O-CA 3.28Å; I306-L463 HydrophobicContact CD1-CB 4.23Å; I306-L463 HydrophobicContact CD1-CD1 4.31Å; T321-L463 HydrophobicContact CG2-CD1 4.17Å; L404-L463 HydrophobicContact CD1-CD1 4.08Å; L404-L463 HydrophobicContact CD1-CG 3.97Å; I405-L463 PolarHBondContact O-N 3.41Å; I406-L463 WeakPolarHBondContact CA-O 3.16Å; I406-L463 HydrophobicContact CD1-CD1 4.49Å; I406-L463 HydrophobicContact CG1-CB 3.87Å; I406-L463 HydrophobicContact CG1-CD1 4.03Å; I406-L463 HydrophobicContact CG1-CG 4.35Å; Y407-L463 PolarHBondContact N-O 3.21Å
464	P	98.5	Very high	94.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	135.8	169.9	25.9	-30.3	0	0	0	110.1	L305 I306 Y407 L410 L445 A462 T485	L305-P464 HydrophobicContact CB-CG 4.38Å; L305-P464 HydrophobicContact CD1-CB 4.45Å; L305-P464 HydrophobicContact CD1-CG 4.31Å; L305-P464 WeakPolarHBondContact CD1-O 3.38Å; I306-P464 PolarHBondContact N-O 2.9Å; Y407-P464 HydrophobicContact CD2-CB 4.22Å; L410-P464 HydrophobicContact CD1-CB 3.55Å; L410-P464 HydrophobicContact CG-CB 4.21Å; L445-P464 HydrophobicContact CD1-CG 4.38Å; L445-P464 HydrophobicContact CD2-CB 4.16Å; L445-P464 HydrophobicContact CD2-CG 4.06Å; A462-P464 WeakPolarHBondContact O-CD 3.45Å; P464-T485 HydrophobicContact CG-CG2 4.3Å
465	V	98.5	Very high	94.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	139	170	-174.4	0	0	0	0	108.9	I306 K314 I406 Y407 D408 D409 L410	I306-V465 HydrophobicContact CB-CG2 4.45Å; I306-V465 CarbonylContact O-C 3.52Å; I306-V465 VanDerWaalsContact O-CA 3.31Å; I306-V465 WeakPolarHBondContact O-CA 3.31Å; K314-V465 HydrophobicContact CB-CG1 3.9Å; K314-V465 HydrophobicContact CD-CG1 3.71Å; K314-V465 VanDerWaalsContact CE-CG1 3.43Å; K314-V465 HydrophobicContact CG-CG1 4.41Å; I406-V465 HydrophobicContact CG2-CG2 4.43Å; Y407-V465 WeakPolarHBondContact O-CA 2.92Å; Y407-V465 WeakPolarHBondContact O-CB 3.3Å; Y407-V465 WeakPolarHBondContact O-CG2 3.42Å; Y407-V465 PolarHBondContact O-N 3.1Å; D408-V465 HydrophobicContact CB-CB 4.47Å; D408-V465 HydrophobicContact CB-CG2 4.13Å; D409-V465 HydrophobicContact CB-CB 3.96Å; D409-V465 HydrophobicContact CB-CG1 4.02Å; D409-V465 WeakPolarHBondContact CB-O 3.29Å; L410-V465 PolarHBondContact N-O 3.48Å
466	I	97.6	Very high	94.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135	170	-72.9	-66.7	0	0	0	110	L305 I306 I307 G308 K314 L410 I477 P478 V481	L305-I466 HydrophobicContact CD1-CB 3.89Å; L305-I466 HydrophobicContact CD1-CG1 3.55Å; I306-I466 PolarHBondContact O-N 2.91Å; I307-I466 HydrophobicContact CB-CB 4.41Å; I307-I466 HydrophobicContact CD1-CG2 4.09Å; I307-I466 HydrophobicContact CG1-CB 4.33Å; I307-I466 HydrophobicContact CG1-CG2 4.08Å; G308-I466 PolarHBondContact N-O 3.42Å; K314-I466 VanDerWaalsContact CD-O 3.27Å; K314-I466 WeakPolarHBondContact CD-O 3.35Å; K314-I466 WeakPolarHBondContact CE-O 3.5Å; L410-I466 HydrophobicContact CB-CD1 3.79Å; I466-I477 HydrophobicContact CD1-CG2 4.03Å; I466-P478 HydrophobicContact CG2-CB 4.39Å; I466-P478 HydrophobicContact CG2-CG 3.94Å; I466-V481 HydrophobicContact CD1-CG2 4.15Å; I466-V481 HydrophobicContact CG1-CB 4.33Å; I466-V481 HydrophobicContact CG1-CG1 4.33Å; I466-V481 HydrophobicContact CG1-CG2 4.41Å
467	E	95.4	Very high	94.4	Very high	31 Å²	31	26.5 Å²	26.5	15%	0.145	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	117.2	167.2	-172	-175.4	99.1	0	0	110.3	R310 S411 Q469	R310-E467 VanDerWaalsContact CG-CD 3.47Å; R310-E467 HydrophobicContact CG-CG 4.07Å; R310-E467 WeakPolarHBondContact CG-OE2 3.33Å; R310-E467 IonicContact CZ-OE1 3.71Å; R310-E467 IonicContact NE-OE1 3.27Å; R310-E467 PolarHBondContact NE-OE1 3.18Å; R310-E467 IonicContact NE-OE2 3.8Å; R310-E467 PolarHBondContact NE-OE2 3.31Å; R310-E467 VanDerWaalsContact NE-OE2 3.11Å; R310-E467 IonicContact NH2-OE1 2.85Å; R310-E467 PolarHBondContact NH2-OE1 3.29Å; S411-E467 PolarHBondContact OG-N 3.04Å; S411-E467 VanDerWaalsContact OG-N 3.08Å; S411-E467 PolarHBondContact OG-O 3.37Å; E467-Q469 PolarHBondContact OE1-NE2 3.25Å
468	T	94.2	Very high	94.4	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.018	17%	0.167	C	C	.	.			trans	-81.4	159.3	164.7	50.7	0	0	0	0	110.6	I307 G308 D309 D472 P478	I307-T468 HydrophobicContact CD1-CG2 3.85Å; I307-T468 HydrophobicContact CG1-CG2 3.71Å; G308-T468 WeakPolarHBondContact CA-OG1 3.3Å; G308-T468 PolarHBondContact O-N 2.85Å; G308-T468 VanDerWaalsContact O-N 3.12Å; G308-T468 PolarHBondContact O-OG1 2.9Å; D309-T468 PolarHBondContact N-OG1 3.44Å; D309-T468 VanDerWaalsContact N-OG1 3.12Å; D309-T468 PolarHBondContact OD1-OG1 2.92Å; T468-D472 WeakPolarHBondContact CG2-O 3.45Å; T468-P478 HydrophobicContact CG2-CG 4.35Å
469	Q	89.3	Confident	94.4	Very high	104 Å²	104	29.4 Å²	29.4	49%	0.486	19%	0.185	S	C	.	.	S	Bend	trans	-107.9	123.9	166.4	-51.5	-56.3	-61	0	0	107.9	E467 G471 D472	E467-Q469 PolarHBondContact OE1-NE2 3.25Å; Q469-G471 VanDerWaalsContact C-N 3.25Å; Q469-G471 PolarHBondContact O-N 2.82Å; Q469-D472 WeakPolarHBondContact O-CB 3.5Å; Q469-D472 PolarHBondContact O-N 3.05Å; Q469-D472 VanDerWaalsContact O-N 3.08Å
470	A	88.3	Confident	94.2	Very high	104 Å²	104	30.2 Å²	30.2	86%	0.86	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	40.6	178.9	0	0	0	0	0	114.7	D309 D472	D309-A470 PolarHBondContact OD1-N 3.33Å; A470-D472 VanDerWaalsContact C-N 3.27Å; A470-D472 PolarHBondContact O-N 3.01Å
471	G	85.9	Confident	94.2	Very high	29 Å²	29	30.2 Å²	30.2	30%	0.299	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	-1	178.7	0	0	0	0	0	115.9	D309 Q469 V473	D309-G471 PolarHBondContact OD1-N 3.27Å; D309-G471 PolarHBondContact OD2-N 3.04Å; Q469-G471 VanDerWaalsContact C-N 3.25Å; Q469-G471 PolarHBondContact O-N 2.82Å; G471-V473 PolarHBondContact O-N 2.99Å; G471-V473 VanDerWaalsContact O-N 3.12Å
472	D	89.5	Confident	94.1	Very high	68 Å²	68	32.5 Å²	32.5	36%	0.364	20%	0.201	S	C	.	.			trans	-70.3	110.1	-173.8	-177.5	25.8	0	0	0	113.2	T468 Q469 A470 S474 A475	T468-D472 WeakPolarHBondContact CG2-O 3.45Å; Q469-D472 WeakPolarHBondContact O-CB 3.5Å; Q469-D472 PolarHBondContact O-N 3.05Å; Q469-D472 VanDerWaalsContact O-N 3.08Å; A470-D472 VanDerWaalsContact C-N 3.27Å; A470-D472 PolarHBondContact O-N 3.01Å; D472-S474 WeakPolarHBondContact OD1-CA 3.49Å; D472-S474 WeakPolarHBondContact OD1-CB 3.35Å; D472-S474 PolarHBondContact OD1-N 2.84Å; D472-S474 PolarHBondContact OD1-OG 3Å; D472-A475 PolarHBondContact OD1-N 3.48Å; D472-A475 WeakPolarHBondContact OD2-CB 3.45Å; D472-A475 PolarHBondContact OD2-N 3.49Å; D472-A475 VanDerWaalsContact OD2-N 3.15Å
473	V	88.7	Confident	94	Very high	61 Å²	61	36 Å²	36	37%	0.37	23%	0.226	S	C	.	.	S	Bend	trans	-88.5	-11.5	172.1	-66.7	0	0	0	0	113.7	I307 G471 T479 F490	I307-V473 HydrophobicContact CD1-CG1 4.23Å; G471-V473 PolarHBondContact O-N 2.99Å; G471-V473 VanDerWaalsContact O-N 3.12Å; V473-T479 PolarHBondContact O-OG1 2.96Å; V473-F490 HydrophobicContact CG1-CD2 4.03Å; V473-F490 HydrophobicContact CG1-CE2 3.37Å; V473-F490 HydrophobicContact CG1-CZ 4.18Å
474	S	90.2	Very high	93.9	Very high	76 Å²	76	36.5 Å²	36.5	53%	0.531	23%	0.229	S	C	.	.	S	Bend	trans	-89.5	-9.6	-177.7	76.9	0	0	0	0	114.1	R430 D472 T479	R430-S474 PolarHBondContact NH2-O 2.86Å; R430-S474 VanDerWaalsContact NH2-O 3.08Å; D472-S474 WeakPolarHBondContact OD1-CA 3.49Å; D472-S474 WeakPolarHBondContact OD1-CB 3.35Å; D472-S474 PolarHBondContact OD1-N 2.84Å; D472-S474 PolarHBondContact OD1-OG 3Å; S474-T479 PolarHBondContact O-OG1 3.29Å
475	A	93.2	Very high	93.9	Very high	22 Å²	22	36.6 Å²	36.6	18%	0.182	23%	0.229	C	C	.	.	S	Bend	trans	-52.5	151	164.4	0	0	0	0	0	111.6	D472 I477 P478 T479	D472-A475 PolarHBondContact OD1-N 3.48Å; D472-A475 WeakPolarHBondContact OD2-CB 3.45Å; D472-A475 PolarHBondContact OD2-N 3.49Å; D472-A475 VanDerWaalsContact OD2-N 3.15Å; A475-I477 PolarHBondContact O-N 3.03Å; A475-P478 HydrophobicContact CB-CG 4.1Å; A475-P478 WeakPolarHBondContact O-CD 3.47Å; A475-T479 WeakPolarHBondContact O-CB 3.41Å; A475-T479 PolarHBondContact O-N 2.81Å; A475-T479 VanDerWaalsContact O-N 3.12Å; A475-T479 PolarHBondContact O-OG1 3.37Å
476	Y	92.6	Very high	93.8	Very high	43 Å²	43	38.3 Å²	38.3	17%	0.169	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-44.3	-165.8	-176	-147.8	0	0	0	113.4	R430 E431 Y433 V437 N480	R430-Y476 HydrophobicContact CB-CD1 4.15Å; R430-Y476 HydrophobicContact CB-CE1 4.2Å; R430-Y476 HydrophobicContact CG-CD1 4.23Å; R430-Y476 HydrophobicContact CG-CG 4.26Å; E431-Y476 WeakPolarHBondContact OE1-CB 3.24Å; E431-Y476 PolarHBondContact OE1-N 3.47Å; E431-Y476 VanDerWaalsContact OE2-CB 3.27Å; E431-Y476 WeakPolarHBondContact OE2-CB 3.42Å; E431-Y476 PolarHBondContact OE2-N 3.49Å; Y433-Y476 AromaticContact CD2-CD1 3.96Å; Y433-Y476 HydrophobicContact CD2-CD1 3.96Å; Y433-Y476 HydrophobicContact CG-CD1 4.44Å; V437-Y476 HydrophobicContact CG1-CD1 4.31Å; V437-Y476 HydrophobicContact CG1-CE1 3.52Å; Y476-N480 WeakPolarHBondContact CD2-ND2 3.48Å; Y476-N480 WeakPolarHBondContact CE2-ND2 3.31Å; Y476-N480 WeakPolarHBondContact CE2-OD1 3.49Å; Y476-N480 WeakPolarHBondContact O-CB 3.21Å; Y476-N480 PolarHBondContact O-N 3.4Å; Y476-N480 PolarHBondContact O-ND2 3.34Å
477	I	95.5	Very high	93.8	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-69.6	-48.4	-177.9	-55.6	-56.1	0	0	0	112.7	A414 Y433 V437 I466 A475 T479 N480 V481	A414-I477 HydrophobicContact CB-CD1 3.88Å; A414-I477 HydrophobicContact CB-CG1 4Å; A414-I477 HydrophobicContact CB-CG2 4.18Å; Y433-I477 HydrophobicContact CD1-CD1 4.01Å; Y433-I477 HydrophobicContact CD1-CG1 4.49Å; Y433-I477 HydrophobicContact CD2-CD1 4.23Å; Y433-I477 HydrophobicContact CD2-CG1 4.41Å; Y433-I477 HydrophobicContact CE1-CD1 3.96Å; Y433-I477 HydrophobicContact CE1-CG1 3.96Å; Y433-I477 HydrophobicContact CE2-CD1 4.15Å; Y433-I477 HydrophobicContact CE2-CG1 3.84Å; Y433-I477 HydrophobicContact CG-CD1 4.16Å; V437-I477 HydrophobicContact CG1-CD1 4.15Å; V437-I477 HydrophobicContact CG2-CD1 3.7Å; I466-I477 HydrophobicContact CD1-CG2 4.03Å; A475-I477 PolarHBondContact O-N 3.03Å; I477-T479 PolarHBondContact O-N 3.33Å; I477-N480 PolarHBondContact O-N 2.93Å; I477-V481 HydrophobicContact CG2-CG2 4.49Å; I477-V481 WeakPolarHBondContact O-CG2 3.33Å; I477-V481 PolarHBondContact O-N 2.9Å
478	P	96	Very high	93.9	Very high	7 Å²	7	38.4 Å²	38.4	5%	0.045	24%	0.239	C	C	.	.	H	α-helix	trans	-50.8	-51	169.7	-31.3	37.4	0	0	0	113.5	I307 I466 T468 A475 N480 V481 I482	I307-P478 HydrophobicContact CD1-CB 3.94Å; I466-P478 HydrophobicContact CG2-CB 4.39Å; I466-P478 HydrophobicContact CG2-CG 3.94Å; T468-P478 HydrophobicContact CG2-CG 4.35Å; A475-P478 HydrophobicContact CB-CG 4.1Å; A475-P478 WeakPolarHBondContact O-CD 3.47Å; P478-N480 VanDerWaalsContact C-N 3.34Å; P478-N480 PolarHBondContact O-N 3.38Å; P478-V481 PolarHBondContact O-N 3.25Å; P478-I482 WeakPolarHBondContact O-CD1 3.5Å; P478-I482 VanDerWaalsContact O-CG1 3.24Å; P478-I482 WeakPolarHBondContact O-CG1 3.47Å; P478-I482 PolarHBondContact O-N 3.03Å
479	T	95.6	Very high	94	Very high	63 Å²	63	38.3 Å²	38.3	39%	0.387	24%	0.238	S	C	.	.	H	α-helix	trans	-56.8	-46.9	-179.5	-57.4	0	0	0	0	111.6	V473 S474 A475 I477 S483	V473-T479 PolarHBondContact O-OG1 2.96Å; S474-T479 PolarHBondContact O-OG1 3.29Å; A475-T479 WeakPolarHBondContact O-CB 3.41Å; A475-T479 PolarHBondContact O-N 2.81Å; A475-T479 VanDerWaalsContact O-N 3.12Å; A475-T479 PolarHBondContact O-OG1 3.37Å; I477-T479 PolarHBondContact O-N 3.33Å; T479-S483 PolarHBondContact O-N 3.27Å
480	N	95.3	Very high	94.4	Very high	17 Å²	17	34.2 Å²	34.2	9%	0.091	22%	0.219	C	C	.	.	H	α-helix	trans	-59.4	-50.5	177.8	-70.1	-20.4	0	0	0	111.3	F438 Y476 I477 P478 S483 I484	F438-N480 HydrophobicContact CD2-CB 4.08Å; Y476-N480 WeakPolarHBondContact CD2-ND2 3.48Å; Y476-N480 WeakPolarHBondContact CE2-ND2 3.31Å; Y476-N480 WeakPolarHBondContact CE2-OD1 3.49Å; Y476-N480 WeakPolarHBondContact O-CB 3.21Å; Y476-N480 PolarHBondContact O-N 3.4Å; Y476-N480 PolarHBondContact O-ND2 3.34Å; I477-N480 PolarHBondContact O-N 2.93Å; P478-N480 VanDerWaalsContact C-N 3.34Å; P478-N480 PolarHBondContact O-N 3.38Å; N480-S483 PolarHBondContact O-N 3.25Å; N480-S483 PolarHBondContact O-OG 3.07Å; N480-I484 WeakPolarHBondContact O-CD1 3.43Å; N480-I484 WeakPolarHBondContact O-CG1 3.27Å; N480-I484 PolarHBondContact O-N 2.82Å
481	V	97	Very high	94.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-70	-35.8	-175.3	-177.1	0	0	0	0	112	L305 H441 L445 I466 I477 P478 S483 I484 T485	L305-V481 HydrophobicContact CD1-CG1 3.88Å; L305-V481 HydrophobicContact CD2-CG1 4.24Å; H441-V481 HydrophobicContact CB-CG2 4.32Å; L445-V481 HydrophobicContact CD1-CG1 4.11Å; I466-V481 HydrophobicContact CD1-CG2 4.15Å; I466-V481 HydrophobicContact CG1-CB 4.33Å; I466-V481 HydrophobicContact CG1-CG1 4.33Å; I466-V481 HydrophobicContact CG1-CG2 4.41Å; I477-V481 HydrophobicContact CG2-CG2 4.49Å; I477-V481 WeakPolarHBondContact O-CG2 3.33Å; I477-V481 PolarHBondContact O-N 2.9Å; P478-V481 PolarHBondContact O-N 3.25Å; V481-S483 VanDerWaalsContact C-N 3.28Å; V481-S483 PolarHBondContact O-N 3.44Å; V481-I484 CarbonylContact O-C 3.52Å; V481-I484 PolarHBondContact O-N 3.1Å; V481-I484 VanDerWaalsContact O-N 3.16Å; V481-T485 PolarHBondContact O-N 3.07Å; V481-T485 PolarHBondContact O-OG1 3.32Å
482	I	96.9	Very high	95.1	Very high	47 Å²	47	30.2 Å²	30.2	24%	0.241	17%	0.174	C	C	.	.	H	α-helix	trans	-58.1	-41	172.5	-68.4	163.1	0	0	0	111.1	L305 I307 P478 I484 T485 R512	L305-I482 HydrophobicContact CD2-CB 4.47Å; L305-I482 HydrophobicContact CD2-CG1 3.54Å; I307-I482 HydrophobicContact CD1-CD1 4.11Å; P478-I482 WeakPolarHBondContact O-CD1 3.5Å; P478-I482 VanDerWaalsContact O-CG1 3.24Å; P478-I482 WeakPolarHBondContact O-CG1 3.47Å; P478-I482 PolarHBondContact O-N 3.03Å; I482-I484 VanDerWaalsContact C-N 3.34Å; I482-I484 PolarHBondContact O-N 3.22Å; I482-T485 PolarHBondContact O-N 3.36Å; I482-T485 VanDerWaalsContact O-N 3.11Å; I482-R512 PolarHBondContact O-NH1 2.93Å
483	S	96.8	Very high	95.3	Very high	75 Å²	75	28.9 Å²	28.9	52%	0.524	17%	0.169	S	C	.	.	H	α-helix	trans	-68.7	-30.5	178.3	75	0	0	0	0	113.6	T479 N480 V481 T485	T479-S483 PolarHBondContact O-N 3.27Å; N480-S483 PolarHBondContact O-N 3.25Å; N480-S483 PolarHBondContact O-OG 3.07Å; V481-S483 VanDerWaalsContact C-N 3.28Å; V481-S483 PolarHBondContact O-N 3.44Å; S483-T485 VanDerWaalsContact C-N 3.28Å
484	I	97.5	Very high	95.4	Very high	11 Å²	11	31.3 Å²	31.3	6%	0.056	18%	0.176	C	C	.	.	H	α-helix	trans	-80.1	-12.1	173.5	-60	159	0	0	0	111.5	F438 H441 L445 N480 V481 I482	F438-I484 HydrophobicContact CD2-CD1 4.11Å; F438-I484 HydrophobicContact CE2-CD1 3.81Å; F438-I484 HydrophobicContact CE2-CG1 3.76Å; F438-I484 HydrophobicContact CZ-CD1 4.14Å; F438-I484 HydrophobicContact CZ-CG1 3.85Å; H441-I484 HydrophobicContact CB-CD1 3.89Å; L445-I484 HydrophobicContact CB-CG2 3.77Å; L445-I484 HydrophobicContact CD1-CB 4.48Å; L445-I484 HydrophobicContact CD1-CG2 3.77Å; L445-I484 HydrophobicContact CG-CG2 4.39Å; N480-I484 WeakPolarHBondContact O-CD1 3.43Å; N480-I484 WeakPolarHBondContact O-CG1 3.27Å; N480-I484 PolarHBondContact O-N 2.82Å; V481-I484 CarbonylContact O-C 3.52Å; V481-I484 PolarHBondContact O-N 3.1Å; V481-I484 VanDerWaalsContact O-N 3.16Å; I482-I484 VanDerWaalsContact C-N 3.34Å; I482-I484 PolarHBondContact O-N 3.22Å
485	T	97.9	Very high	95.5	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	15%	0.154	C	C	.	.			trans	-46.8	148.8	-177.3	63.5	0	0	0	0	114.6	R303 L305 L445 P464 V481 I482 S483 G487 R512	R303-T485 HydrophobicContact CB-CG2 3.81Å; R303-T485 VanDerWaalsContact O-CB 3.24Å; R303-T485 WeakPolarHBondContact O-CB 3.31Å; R303-T485 WeakPolarHBondContact O-CG2 3.4Å; L305-T485 WeakPolarHBondContact CB-OG1 3.45Å; L445-T485 HydrophobicContact CD1-CG2 4.13Å; P464-T485 HydrophobicContact CG-CG2 4.3Å; V481-T485 PolarHBondContact O-N 3.07Å; V481-T485 PolarHBondContact O-OG1 3.32Å; I482-T485 PolarHBondContact O-N 3.36Å; I482-T485 VanDerWaalsContact O-N 3.11Å; S483-T485 VanDerWaalsContact C-N 3.28Å; T485-G487 VanDerWaalsContact C-N 3.3Å; T485-R512 PolarHBondContact O-NH1 2.69Å; T485-R512 PolarHBondContact O-NH2 3.41Å
486	D	97.3	Very high	95.5	Very high	36 Å²	36	29.3 Å²	29.3	19%	0.193	15%	0.154	C	C	.	.	S	Bend	trans	-62.3	-37.4	134.4	54.7	-136.2	0	0	0	112.5	Q302 R303 R512	Q302-D486 HydrophobicContact CG-CB 4.46Å; R303-D486 WeakPolarHBondContact CB-OD2 3.36Å; R303-D486 IonicContact CZ-OD1 3.44Å; R303-D486 PolarHBondContact N-OD2 3.21Å; R303-D486 IonicContact NE-OD1 2.82Å; R303-D486 PolarHBondContact NE-OD1 3.04Å; R303-D486 IonicContact NE-OD2 3.54Å; R303-D486 PolarHBondContact NE-OD2 2.84Å; R303-D486 VanDerWaalsContact NE-OD2 3.12Å; R303-D486 IonicContact NH2-OD1 3.04Å; R303-D486 PolarHBondContact NH2-OD1 2.87Å; R303-D486 VanDerWaalsContact O-CA 3.25Å; R303-D486 WeakPolarHBondContact O-CA 3.34Å; R303-D486 PolarHBondContact O-N 3.43Å; D486-R512 WeakPolarHBondContact O-CB 3.38Å; D486-R512 VanDerWaalsContact O-CG 3.28Å; D486-R512 WeakPolarHBondContact O-CG 3.5Å; D486-R512 PolarHBondContact O-N 2.61Å; D486-R512 VanDerWaalsContact O-N 3.09Å; D486-R512 PolarHBondContact O-NH2 3.22Å; D486-R512 VanDerWaalsContact O-NH2 3.16Å
487	G	96.6	Very high	95.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-173.6	-169.4	0	0	0	0	0	110.5	E304 L305 T485 V510	E304-G487 VanDerWaalsContact CD-C 3.41Å; E304-G487 VanDerWaalsContact OE1-C 3.3Å; E304-G487 WeakPolarHBondContact OE1-CA 3.3Å; E304-G487 VanDerWaalsContact OE2-CA 3.29Å; E304-G487 WeakPolarHBondContact OE2-CA 3.36Å; E304-G487 PolarHBondContact OE2-N 3.37Å; L305-G487 WeakPolarHBondContact CB-O 3.29Å; L305-G487 PolarHBondContact N-O 3.21Å; T485-G487 VanDerWaalsContact C-N 3.3Å; G487-V510 CarbonylContact C-O 3.29Å; G487-V510 WeakPolarHBondContact CA-O 3.47Å
488	Q	97.1	Very high	95.2	Very high	33 Å²	33	41.7 Å²	41.7	15%	0.154	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	144.5	179.8	72.2	-75.3	-19.7	0	0	114.1	E304 L305 I307 L508 S509 V510	E304-Q488 PolarHBondContact OE1-N 3.12Å; E304-Q488 VanDerWaalsContact OE1-N 3.1Å; L305-Q488 HydrophobicContact CB-CB 4.07Å; L305-Q488 HydrophobicContact CD2-CB 4.21Å; L305-Q488 HydrophobicContact CG-CB 4.31Å; L305-Q488 CarbonylContact O-C 3.33Å; L305-Q488 VanDerWaalsContact O-CA 3.29Å; L305-Q488 WeakPolarHBondContact O-CA 3.47Å; I307-Q488 HydrophobicContact CG2-CB 4.07Å; I307-Q488 HydrophobicContact CG2-CG 4.49Å; Q488-L508 PolarHBondContact NE2-O 2.77Å; Q488-S509 CarbonylContact O-C 3.51Å; Q488-S509 WeakPolarHBondContact O-CA 3.26Å; Q488-S509 WeakPolarHBondContact O-CB 3.44Å; Q488-V510 PolarHBondContact N-O 2.78Å; Q488-V510 PolarHBondContact O-N 3.34Å
489	I	97.6	Very high	95	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	107.9	165.2	-62.1	164.9	0	0	0	106.7	V292 V296 I298 E304 L305 I307 I317 L491 I504	V292-I489 HydrophobicContact CG1-CD1 3.75Å; V292-I489 HydrophobicContact CG2-CD1 4.09Å; V296-I489 HydrophobicContact CB-CG1 4.19Å; V296-I489 HydrophobicContact CG1-CG1 3.72Å; I298-I489 HydrophobicContact CD1-CD1 4.1Å; E304-I489 HydrophobicContact CG-CD1 4.12Å; E304-I489 HydrophobicContact CG-CG1 4.11Å; L305-I489 PolarHBondContact O-N 2.64Å; I307-I489 PolarHBondContact N-O 3.05Å; I317-I489 HydrophobicContact CD1-CG2 4.39Å; I489-L491 HydrophobicContact CG2-CD2 3.98Å; I489-I504 HydrophobicContact CG2-CD1 3.93Å; I489-I504 HydrophobicContact CG2-CG1 3.91Å; I489-I504 HydrophobicContact CG2-CG2 4.29Å
490	F	96.7	Very high	94.8	Very high	18 Å²	18	41.3 Å²	41.3	8%	0.079	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	120.7	-179.5	-170.1	-91.4	0	0	0	111.1	I307 V473 E492 N505 L508 S509	I307-F490 HydrophobicContact CG1-CD2 4.3Å; I307-F490 HydrophobicContact CG1-CE2 4.38Å; I307-F490 HydrophobicContact CG2-CB 4.4Å; I307-F490 HydrophobicContact CG2-CD2 3.89Å; I307-F490 CarbonylContact O-C 3.58Å; I307-F490 WeakPolarHBondContact O-CA 3.2Å; V473-F490 HydrophobicContact CG1-CD2 4.03Å; V473-F490 HydrophobicContact CG1-CE2 3.37Å; V473-F490 HydrophobicContact CG1-CZ 4.18Å; F490-E492 HydrophobicContact CD1-CB 4.36Å; F490-E492 HydrophobicContact CE1-CB 4.19Å; F490-N505 HydrophobicContact CD1-CB 3.95Å; F490-N505 PolarHBondContact O-N 2.97Å; F490-L508 HydrophobicContact CB-CB 3.95Å; F490-L508 HydrophobicContact CD1-CB 4.31Å; F490-L508 HydrophobicContact CD1-CD1 3.71Å; F490-L508 HydrophobicContact CE1-CD1 3.88Å; F490-L508 HydrophobicContact CG-CB 4.16Å; F490-L508 HydrophobicContact CG-CD1 4.15Å; F490-L508 HydrophobicContact CZ-CD1 4.47Å; F490-S509 PolarHBondContact N-OG 3.47Å
491	L	96.4	Very high	94.8	Very high	2 Å²	2	46 Å²	46	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	124.7	177.8	-56.1	-167.2	0	0	0	111.8	I307 G308 K314 I317 I489 A503 I504	I307-L491 PolarHBondContact O-N 2.87Å; G308-L491 WeakPolarHBondContact CA-O 3.25Å; K314-L491 HydrophobicContact CB-CD1 4.36Å; K314-L491 HydrophobicContact CG-CD1 3.84Å; I317-L491 HydrophobicContact CD1-CD1 3.88Å; I317-L491 HydrophobicContact CD1-CD2 3.74Å; I317-L491 HydrophobicContact CD1-CG 4.35Å; I489-L491 HydrophobicContact CG2-CD2 3.98Å; L491-A503 WeakPolarHBondContact CA-O 3.43Å; L491-I504 HydrophobicContact CD2-CB 4.38Å; L491-I504 HydrophobicContact CD2-CG1 3.57Å
492	E	93.4	Very high	94.7	Very high	47 Å²	47	47.3 Å²	47.3	22%	0.22	23%	0.232	C	C	.	.			trans	-113.3	122	-167.5	178	171.7	-143.8	0	0	111.1	F490 E494 L495 F496 A503 N505 R537	F490-E492 HydrophobicContact CD1-CB 4.36Å; F490-E492 HydrophobicContact CE1-CB 4.19Å; E492-E494 VanDerWaalsContact C-N 3.27Å; E492-E494 HydrophobicContact CG-CB 4.38Å; E492-E494 PolarHBondContact O-N 3.27Å; E492-L495 HydrophobicContact CB-CB 4.44Å; E492-L495 HydrophobicContact CB-CD1 3.89Å; E492-L495 HydrophobicContact CB-CG 3.87Å; E492-L495 HydrophobicContact CG-CD1 4.37Å; E492-L495 HydrophobicContact CG-CG 3.94Å; E492-L495 WeakPolarHBondContact O-CB 3.38Å; E492-L495 PolarHBondContact O-N 2.76Å; E492-L495 VanDerWaalsContact OE2-CD1 3.24Å; E492-L495 WeakPolarHBondContact OE2-CD1 3.39Å; E492-L495 VanDerWaalsContact OE2-CG 3.29Å; E492-L495 WeakPolarHBondContact OE2-CG 3.45Å; E492-F496 PolarHBondContact O-N 3.29Å; E492-A503 PolarHBondContact N-O 2.97Å; E492-N505 HydrophobicContact CB-CB 4.3Å; E492-N505 PolarHBondContact OE1-ND2 3.5Å; E492-N505 WeakPolarHBondContact OE2-CB 3.48Å; E492-N505 PolarHBondContact OE2-ND2 2.98Å; E492-R537 IonicContact OE2-NH1 3.43Å; E492-R537 PolarHBondContact OE2-NH1 3.26Å
493	T	92.9	Very high	94.6	Very high	40 Å²	40	45 Å²	45	25%	0.245	22%	0.221	C	C	.	.	H	α-helix	trans	-56.6	-37.9	-175.1	-56.5	0	0	0	0	112.7	D309 T312 F496 Y497	D309-T493 WeakPolarHBondContact CB-OG1 3.29Å; D309-T493 PolarHBondContact OD2-OG1 2.91Å; T312-T493 WeakPolarHBondContact CG2-OG1 3.12Å; T493-F496 PolarHBondContact O-N 3.47Å; T493-Y497 HydrophobicContact CG2-CD2 4.02Å; T493-Y497 HydrophobicContact CG2-CE2 3.49Å; T493-Y497 VanDerWaalsContact CG2-CE2 3.49Å; T493-Y497 WeakPolarHBondContact O-CD2 3.42Å; T493-Y497 PolarHBondContact O-N 2.76Å
494	E	91.7	Very high	94.5	Very high	112 Å²	112	41.8 Å²	41.8	52%	0.523	20%	0.198	S	C	.	.	H	α-helix	trans	-62.6	-42.8	175.5	-70.2	-163.7	-163.2	0	0	113.3	E492 F496 Y497 K498	E492-E494 VanDerWaalsContact C-N 3.27Å; E492-E494 HydrophobicContact CG-CB 4.38Å; E492-E494 PolarHBondContact O-N 3.27Å; E494-F496 VanDerWaalsContact C-N 3.27Å; E494-F496 PolarHBondContact O-N 3.34Å; E494-Y497 PolarHBondContact O-N 2.91Å; E494-K498 HydrophobicContact CB-CD 4.43Å; E494-K498 WeakPolarHBondContact O-CB 3.36Å; E494-K498 WeakPolarHBondContact O-CD 3.08Å; E494-K498 VanDerWaalsContact O-CG 3.26Å; E494-K498 WeakPolarHBondContact O-CG 3.45Å; E494-K498 PolarHBondContact O-N 2.92Å; E494-K498 IonicContact OE2-NZ 2.77Å; E494-K498 PolarHBondContact OE2-NZ 2.85Å
495	L	92.1	Very high	94.3	Very high	12 Å²	12	41.9 Å²	41.9	6%	0.063	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-38.9	-179.5	-59.4	-176.7	0	0	0	110.6	E492 Y497 K498 G499 I500 A503 I504 N505	E492-L495 HydrophobicContact CB-CB 4.44Å; E492-L495 HydrophobicContact CB-CD1 3.89Å; E492-L495 HydrophobicContact CB-CG 3.87Å; E492-L495 HydrophobicContact CG-CD1 4.37Å; E492-L495 HydrophobicContact CG-CG 3.94Å; E492-L495 WeakPolarHBondContact O-CB 3.38Å; E492-L495 PolarHBondContact O-N 2.76Å; E492-L495 VanDerWaalsContact OE2-CD1 3.24Å; E492-L495 WeakPolarHBondContact OE2-CD1 3.39Å; E492-L495 VanDerWaalsContact OE2-CG 3.29Å; E492-L495 WeakPolarHBondContact OE2-CG 3.45Å; L495-Y497 VanDerWaalsContact C-N 3.33Å; L495-Y497 PolarHBondContact O-N 2.79Å; L495-K498 CarbonylContact O-C 3.6Å; L495-K498 PolarHBondContact O-N 3.07Å; L495-G499 PolarHBondContact O-N 2.87Å; L495-I500 HydrophobicContact CB-CB 4.21Å; L495-I500 HydrophobicContact CD2-CD1 4.08Å; L495-I500 WeakPolarHBondContact O-CB 3.35Å; L495-I500 PolarHBondContact O-N 2.85Å; L495-A503 HydrophobicContact CB-CB 4.09Å; L495-I504 WeakPolarHBondContact CD1-O 3.34Å; L495-N505 HydrophobicContact CD1-CB 4.35Å
496	F	92.1	Very high	94	Very high	44 Å²	44	42.4 Å²	42.4	19%	0.193	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-37.2	177.9	-173.4	-90.8	0	0	0	113.1	E492 T493 E494 R501 A503	E492-F496 PolarHBondContact O-N 3.29Å; T493-F496 PolarHBondContact O-N 3.47Å; E494-F496 VanDerWaalsContact C-N 3.27Å; E494-F496 PolarHBondContact O-N 3.34Å; F496-R501 HydrophobicContact CD2-CG 4.11Å; F496-R501 HydrophobicContact CE2-CG 4.25Å; F496-R501 PolarHBondContact O-NE 3.44Å; F496-R501 PolarHBondContact O-NH2 3.15Å; F496-R501 VanDerWaalsContact O-NH2 3.13Å; F496-A503 HydrophobicContact CB-CB 3.79Å; F496-A503 HydrophobicContact CD2-CB 4.31Å
497	Y	91.8	Very high	93.6	Very high	178 Å²	178	43.1 Å²	43.1	70%	0.698	22%	0.217	S	C	*	.	H	α-helix	trans	-77.8	-34.4	173.8	-66.7	-45.8	0	0	0	112.8	T493 E494 L495 G499	T493-Y497 HydrophobicContact CG2-CD2 4.02Å; T493-Y497 HydrophobicContact CG2-CE2 3.49Å; T493-Y497 VanDerWaalsContact CG2-CE2 3.49Å; T493-Y497 WeakPolarHBondContact O-CD2 3.42Å; T493-Y497 PolarHBondContact O-N 2.76Å; E494-Y497 PolarHBondContact O-N 2.91Å; L495-Y497 VanDerWaalsContact C-N 3.33Å; L495-Y497 PolarHBondContact O-N 2.79Å; Y497-G499 PolarHBondContact O-N 3.14Å
498	K	90.9	Very high	93.3	Very high	130 Å²	130	47.4 Å²	47.4	57%	0.565	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	7.9	169.1	-69.1	162.9	178.1	169.5	0	113.3	E494 L495 I500	E494-K498 HydrophobicContact CB-CD 4.43Å; E494-K498 WeakPolarHBondContact O-CB 3.36Å; E494-K498 WeakPolarHBondContact O-CD 3.08Å; E494-K498 VanDerWaalsContact O-CG 3.26Å; E494-K498 WeakPolarHBondContact O-CG 3.45Å; E494-K498 PolarHBondContact O-N 2.92Å; E494-K498 IonicContact OE2-NZ 2.77Å; E494-K498 PolarHBondContact OE2-NZ 2.85Å; L495-K498 CarbonylContact O-C 3.6Å; L495-K498 PolarHBondContact O-N 3.07Å; K498-I500 VanDerWaalsContact C-N 3.28Å; K498-I500 PolarHBondContact O-N 2.88Å
499	G	91.2	Very high	93.2	Very high	32 Å²	32	45.8 Å²	45.8	33%	0.33	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	9.7	175.5	0	0	0	0	0	115	L495 Y497 R501 K568	L495-G499 PolarHBondContact O-N 2.87Å; Y497-G499 PolarHBondContact O-N 3.14Å; G499-R501 PolarHBondContact O-N 2.89Å; G499-K568 VanDerWaalsContact O-CE 3.3Å; G499-K568 WeakPolarHBondContact O-CE 3.34Å
500	I	92.8	Very high	93.1	Very high	31 Å²	31	48.6 Å²	48.6	16%	0.159	25%	0.249	C	C	.	.			trans	-85.7	110.9	175.4	-61.1	163.5	0	0	0	107.7	L495 K498 A503 T564	L495-I500 HydrophobicContact CB-CB 4.21Å; L495-I500 HydrophobicContact CD2-CD1 4.08Å; L495-I500 WeakPolarHBondContact O-CB 3.35Å; L495-I500 PolarHBondContact O-N 2.85Å; K498-I500 VanDerWaalsContact C-N 3.28Å; K498-I500 PolarHBondContact O-N 2.88Å; I500-A503 WeakPolarHBondContact O-CA 3.15Å; I500-T564 HydrophobicContact CD1-CG2 3.62Å; I500-T564 HydrophobicContact CG1-CG2 3.98Å
501	R	94.3	Very high	93.1	Very high	116 Å²	116	48.3 Å²	48.3	44%	0.438	25%	0.249	S	C	.	.	S	Bend	trans	-137.5	123.7	-175.7	-63.3	-177.5	-177	165.1	4.7	108.3	F496 G499 K568 Q569	F496-R501 HydrophobicContact CD2-CG 4.11Å; F496-R501 HydrophobicContact CE2-CG 4.25Å; F496-R501 PolarHBondContact O-NE 3.44Å; F496-R501 PolarHBondContact O-NH2 3.15Å; F496-R501 VanDerWaalsContact O-NH2 3.13Å; G499-R501 PolarHBondContact O-N 2.89Å; R501-K568 CarbonylContact O-C 3.43Å; R501-K568 VanDerWaalsContact O-CA 3.29Å; R501-K568 WeakPolarHBondContact O-CA 3.42Å; R501-Q569 PolarHBondContact O-N 3.12Å
502	P	94.9	Very high	93	Very high	26 Å²	26	54.8 Å²	54.8	17%	0.169	27%	0.273	C	S	.	.	S	Bend	cis	-63.5	146.9	-2.8	30.9	-38.1	0	0	0	112.6	I289 A291 I317 I504	I289-P502 HydrophobicContact CG2-CG 3.79Å; A291-P502 HydrophobicContact CB-CG 4.16Å; I317-P502 HydrophobicContact CD1-CB 4.07Å; I317-P502 HydrophobicContact CG1-CB 4.34Å; P502-I504 HydrophobicContact CB-CD1 4.27Å; P502-I504 HydrophobicContact CB-CG1 4.17Å; P502-I504 HydrophobicContact CG-CD1 4.05Å; P502-I504 HydrophobicContact CG-CG1 4.33Å; P502-I504 PolarHBondContact O-N 3.13Å
503	A	94.9	Very high	93	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.274	C	S	.	.			trans	-83.2	46.7	-168.2	0	0	0	0	0	113.6	L491 E492 L495 F496 I500	L491-A503 WeakPolarHBondContact CA-O 3.43Å; E492-A503 PolarHBondContact N-O 2.97Å; L495-A503 HydrophobicContact CB-CB 4.09Å; F496-A503 HydrophobicContact CB-CB 3.79Å; F496-A503 HydrophobicContact CD2-CB 4.31Å; I500-A503 WeakPolarHBondContact O-CA 3.15Å
504	I	95	Very high	92.9	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.036	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-79.2	124.5	-170.6	-59.9	176.4	0	0	0	111.4	A291 V292 I317 I489 L491 L495 P502 V506 S509	A291-I504 HydrophobicContact CB-CD1 3.91Å; V292-I504 HydrophobicContact CG2-CD1 3.58Å; I317-I504 HydrophobicContact CD1-CD1 4.41Å; I317-I504 HydrophobicContact CD1-CG1 4.47Å; I489-I504 HydrophobicContact CG2-CD1 3.93Å; I489-I504 HydrophobicContact CG2-CG1 3.91Å; I489-I504 HydrophobicContact CG2-CG2 4.29Å; L491-I504 HydrophobicContact CD2-CB 4.38Å; L491-I504 HydrophobicContact CD2-CG1 3.57Å; L495-I504 WeakPolarHBondContact CD1-O 3.34Å; P502-I504 HydrophobicContact CB-CD1 4.27Å; P502-I504 HydrophobicContact CB-CG1 4.17Å; P502-I504 HydrophobicContact CG-CD1 4.05Å; P502-I504 HydrophobicContact CG-CG1 4.33Å; P502-I504 PolarHBondContact O-N 3.13Å; I504-V506 PolarHBondContact O-N 3.36Å; I504-S509 WeakPolarHBondContact CG2-OG 3.4Å
505	N	93.4	Very high	92.9	Very high	13 Å²	13	50.7 Å²	50.7	7%	0.07	27%	0.265	C	S	.	.			trans	-79.8	108.2	169.1	-175.9	-48.8	0	0	0	109.9	F490 E492 L495 G507 L508 S509 R537	F490-N505 HydrophobicContact CD1-CB 3.95Å; F490-N505 PolarHBondContact O-N 2.97Å; E492-N505 HydrophobicContact CB-CB 4.3Å; E492-N505 PolarHBondContact OE1-ND2 3.5Å; E492-N505 WeakPolarHBondContact OE2-CB 3.48Å; E492-N505 PolarHBondContact OE2-ND2 2.98Å; L495-N505 HydrophobicContact CD1-CB 4.35Å; N505-G507 VanDerWaalsContact C-N 3.29Å; N505-G507 PolarHBondContact O-N 2.84Å; N505-G507 PolarHBondContact OD1-N 3.41Å; N505-L508 HydrophobicContact CB-CB 4.26Å; N505-L508 HydrophobicContact CB-CD1 4.5Å; N505-L508 PolarHBondContact O-N 2.95Å; N505-L508 PolarHBondContact OD1-N 3Å; N505-S509 VanDerWaalsContact O-CB 3.22Å; N505-S509 WeakPolarHBondContact O-CB 3.38Å; N505-S509 PolarHBondContact O-N 2.86Å; N505-S509 PolarHBondContact O-OG 2.89Å; N505-R537 PolarHBondContact ND2-NH1 3.46Å; N505-R537 VanDerWaalsContact ND2-NH1 3.15Å
506	V	90.7	Very high	92.9	Very high	12 Å²	12	52.8 Å²	52.8	7%	0.073	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-28.7	-173.9	-177.4	0	0	0	0	113.6	L295 I504 K530 L533	L295-V506 HydrophobicContact CD1-CB 4.45Å; L295-V506 HydrophobicContact CD1-CG1 3.94Å; L295-V506 HydrophobicContact CD1-CG2 3.74Å; I504-V506 PolarHBondContact O-N 3.36Å; V506-K530 HydrophobicContact CG1-CG 4.07Å; V506-K530 WeakPolarHBondContact O-CE 3.35Å; V506-L533 HydrophobicContact CG1-CB 3.96Å; V506-L533 HydrophobicContact CG2-CD1 4.49Å
507	G	88.4	Confident	92.9	Very high	51 Å²	51	50.9 Å²	50.9	53%	0.526	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-42.3	179.8	0	0	0	0	0	112.9	N505	N505-G507 VanDerWaalsContact C-N 3.29Å; N505-G507 PolarHBondContact O-N 2.84Å; N505-G507 PolarHBondContact OD1-N 3.41Å
508	L	91.6	Very high	92.9	Very high	90 Å²	90	43.9 Å²	43.9	47%	0.471	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-21	179.1	-64	178.6	0	0	0	113.4	Q488 F490 N505	Q488-L508 PolarHBondContact NE2-O 2.77Å; F490-L508 HydrophobicContact CB-CB 3.95Å; F490-L508 HydrophobicContact CD1-CB 4.31Å; F490-L508 HydrophobicContact CD1-CD1 3.71Å; F490-L508 HydrophobicContact CE1-CD1 3.88Å; F490-L508 HydrophobicContact CG-CB 4.16Å; F490-L508 HydrophobicContact CG-CD1 4.15Å; F490-L508 HydrophobicContact CZ-CD1 4.47Å; N505-L508 HydrophobicContact CB-CB 4.26Å; N505-L508 HydrophobicContact CB-CD1 4.5Å; N505-L508 PolarHBondContact O-N 2.95Å; N505-L508 PolarHBondContact OD1-N 3Å
509	S	95.3	Very high	93	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.231	C	C	.	.			trans	-88.5	124.8	-178.1	-52.4	0	0	0	0	112.2	Q488 F490 I504 N505 K530	Q488-S509 CarbonylContact O-C 3.51Å; Q488-S509 WeakPolarHBondContact O-CA 3.26Å; Q488-S509 WeakPolarHBondContact O-CB 3.44Å; F490-S509 PolarHBondContact N-OG 3.47Å; I504-S509 WeakPolarHBondContact CG2-OG 3.4Å; N505-S509 VanDerWaalsContact O-CB 3.22Å; N505-S509 WeakPolarHBondContact O-CB 3.38Å; N505-S509 PolarHBondContact O-N 2.86Å; N505-S509 PolarHBondContact O-OG 2.89Å; S509-K530 PolarHBondContact O-NZ 3.36Å
510	V	95.5	Very high	93.1	Very high	59 Å²	59	46.5 Å²	46.5	36%	0.358	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	119.2	-172.8	-179.7	0	0	0	0	110.7	G487 Q488 R512	G487-V510 CarbonylContact C-O 3.29Å; G487-V510 WeakPolarHBondContact CA-O 3.47Å; Q488-V510 PolarHBondContact N-O 2.78Å; Q488-V510 PolarHBondContact O-N 3.34Å; V510-R512 HydrophobicContact CG1-CG 4.44Å
511	S	95.8	Very high	93.1	Very high	12 Å²	12	45.1 Å²	45.1	8%	0.084	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.3	165.6	154.8	0	0	0	0	108.5	P297 Q302 E304 V513 G514	P297-S511 VanDerWaalsContact O-CB 3.26Å; P297-S511 WeakPolarHBondContact O-CB 3.5Å; P297-S511 PolarHBondContact O-OG 3.24Å; Q302-S511 PolarHBondContact NE2-OG 3.48Å; E304-S511 VanDerWaalsContact OE1-CA 3.32Å; E304-S511 WeakPolarHBondContact OE1-CA 3.26Å; E304-S511 WeakPolarHBondContact OE1-CB 3.3Å; S511-V513 VanDerWaalsContact C-N 3.34Å; S511-G514 PolarHBondContact O-N 3.31Å; S511-G514 PolarHBondContact OG-N 2.82Å; S511-G514 VanDerWaalsContact OG-N 3.12Å
512	R	94.8	Very high	93.1	Very high	138 Å²	138	39.7 Å²	39.7	52%	0.521	22%	0.222	S	C	.	.	S	Bend	trans	-79.2	-16.3	-176.7	-56.4	-168.4	-121.9	93.7	169	113.5	I482 T485 D486 V510	I482-R512 PolarHBondContact O-NH1 2.93Å; T485-R512 PolarHBondContact O-NH1 2.69Å; T485-R512 PolarHBondContact O-NH2 3.41Å; D486-R512 WeakPolarHBondContact O-CB 3.38Å; D486-R512 VanDerWaalsContact O-CG 3.28Å; D486-R512 WeakPolarHBondContact O-CG 3.5Å; D486-R512 PolarHBondContact O-N 2.61Å; D486-R512 VanDerWaalsContact O-N 3.09Å; D486-R512 PolarHBondContact O-NH2 3.22Å; D486-R512 VanDerWaalsContact O-NH2 3.16Å; V510-R512 HydrophobicContact CG1-CG 4.44Å
513	V	93.2	Very high	93.1	Very high	37 Å²	37	43.1 Å²	43.1	22%	0.224	24%	0.235	C	C	.	.	S	Bend	trans	-74.7	-36.6	166.7	-177.7	0	0	0	0	110.5	V281 Q302 S511 S515 A516 A517	V281-V513 HydrophobicContact CB-CG1 4.13Å; V281-V513 HydrophobicContact CG1-CG1 4.1Å; Q302-V513 HydrophobicContact CB-CG2 4.48Å; Q302-V513 HydrophobicContact CG-CG2 4Å; S511-V513 VanDerWaalsContact C-N 3.34Å; V513-S515 PolarHBondContact O-N 2.62Å; V513-A516 HydrophobicContact CG1-CB 4.11Å; V513-A516 PolarHBondContact O-N 2.96Å; V513-A517 HydrophobicContact CG1-CB 3.89Å
514	G	91.4	Very high	92.9	Very high	18 Å²	18	47.9 Å²	47.9	19%	0.186	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	54.3	-136.2	172.2	0	0	0	0	0	113.5	P297 S511 A516 A517	P297-G514 WeakPolarHBondContact CG-O 3.18Å; S511-G514 PolarHBondContact O-N 3.31Å; S511-G514 PolarHBondContact OG-N 2.82Å; S511-G514 VanDerWaalsContact OG-N 3.12Å; G514-A516 PolarHBondContact O-N 2.91Å; G514-A517 PolarHBondContact O-N 2.8Å
515	S	90.1	Very high	92.8	Very high	59 Å²	59	48 Å²	48	41%	0.413	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-69.6	8.6	-173.3	72.6	0	0	0	0	116	V513 K523	V513-S515 PolarHBondContact O-N 2.62Å; S515-K523 PolarHBondContact O-NZ 2.64Å; S515-K523 VanDerWaalsContact OG-CE 3.27Å; S515-K523 WeakPolarHBondContact OG-CE 3.35Å; S515-K523 PolarHBondContact OG-NZ 2.72Å
516	A	92.4	Very high	92.7	Very high	56 Å²	56	47.6 Å²	47.6	46%	0.463	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-83	-21.2	164	0	0	0	0	0	112.4	V513 G514	V513-A516 HydrophobicContact CG1-CB 4.11Å; V513-A516 PolarHBondContact O-N 2.96Å; G514-A516 PolarHBondContact O-N 2.91Å
517	A	93	Very high	92.5	Very high	3 Å²	3	49.6 Å²	49.6	3%	0.025	28%	0.279	C	S	.	.	S	Bend	trans	-93.6	12.6	175.8	0	0	0	0	0	113.9	P284 P297 V513 G514	P284-A517 WeakPolarHBondContact CA-O 3.32Å; P284-A517 WeakPolarHBondContact CB-O 3.39Å; P297-A517 HydrophobicContact CB-CB 4.4Å; V513-A517 HydrophobicContact CG1-CB 3.89Å; G514-A517 PolarHBondContact O-N 2.8Å
518	Q	92.1	Very high	92.5	Very high	32 Å²	32	50.7 Å²	50.7	15%	0.15	28%	0.276	C	S	.	.	S	Bend	trans	-109	150.7	-178.9	-73.9	-179.4	-43.8	0	0	112.7	D293 S294 P297 K523	D293-Q518 PolarHBondContact O-NE2 2.86Å; S294-Q518 PolarHBondContact O-NE2 2.81Å; P297-Q518 HydrophobicContact CB-CG 3.37Å; P297-Q518 HydrophobicContact CG-CG 3.66Å; Q518-K523 HydrophobicContact CB-CB 4.4Å
519	T	92.3	Very high	92.5	Very high	27 Å²	27	46.4 Å²	46.4	17%	0.166	25%	0.253	C	S	.	.			trans	-63.8	152.8	163.2	62.3	0	0	0	0	109.8	P284 A521 M522 K523 I577	P284-T519 HydrophobicContact CG-CG2 4.25Å; T519-A521 VanDerWaalsContact C-N 3.27Å; T519-A521 PolarHBondContact O-N 3Å; T519-M522 PolarHBondContact O-N 2.94Å; T519-M522 WeakPolarHBondContact OG1-CB 3.41Å; T519-M522 PolarHBondContact OG1-N 3.02Å; T519-K523 WeakPolarHBondContact O-CB 3.39Å; T519-K523 PolarHBondContact O-N 3Å; T519-I577 HydrophobicContact CG2-CG1 4.03Å
520	R	92.7	Very high	92.2	Very high	190 Å²	190	49.2 Å²	49.2	72%	0.717	27%	0.266	S	S	*	.	H	α-helix	trans	-63.2	-38.1	-179.6	-62.7	177.8	178.3	173.5	-1.8	110.7	K523 Q524 G626 K627	R520-K523 PolarHBondContact O-N 2.88Å; R520-Q524 VanDerWaalsContact O-CG 3.28Å; R520-Q524 WeakPolarHBondContact O-CG 3.45Å; R520-Q524 PolarHBondContact O-N 2.59Å; R520-Q524 PolarHBondContact O-OE1 3.25Å; R520-G626 CarbonylContact C-O 3.38Å; R520-G626 WeakPolarHBondContact CA-O 3.16Å; R520-G626 WeakPolarHBondContact CB-O 3.4Å; R520-G626 PolarHBondContact N-O 3.3Å; R520-G626 VanDerWaalsContact N-O 3.13Å; R520-K627 HydrophobicContact CB-CB 4.08Å
521	A	93.5	Very high	91.9	Very high	2 Å²	2	52 Å²	52	2%	0.017	28%	0.278	C	S	.	.	H	α-helix	trans	-58.2	-49.3	173.9	0	0	0	0	0	112.7	T519 K523 Q524 V525 V581 I622 G626 I628	T519-A521 VanDerWaalsContact C-N 3.27Å; T519-A521 PolarHBondContact O-N 3Å; A521-K523 PolarHBondContact O-N 2.83Å; A521-Q524 PolarHBondContact O-N 3.02Å; A521-V525 PolarHBondContact O-N 3.45Å; A521-V581 HydrophobicContact CB-CG1 4.36Å; A521-V581 HydrophobicContact CB-CG2 4.07Å; A521-I622 HydrophobicContact CB-CG2 4.24Å; A521-G626 PolarHBondContact N-O 2.86Å; A521-I628 HydrophobicContact CB-CG1 4.13Å
522	M	94.8	Very high	91.7	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-42.5	176.8	-176	57	74.5	0	0	111.3	T519 Q524 V525 A526 I577 Q580 V581 I584	T519-M522 PolarHBondContact O-N 2.94Å; T519-M522 WeakPolarHBondContact OG1-CB 3.41Å; T519-M522 PolarHBondContact OG1-N 3.02Å; M522-Q524 VanDerWaalsContact C-N 3.28Å; M522-Q524 PolarHBondContact O-N 2.83Å; M522-V525 WeakPolarHBondContact O-CG2 3.44Å; M522-V525 PolarHBondContact O-N 2.85Å; M522-V525 VanDerWaalsContact O-N 3.15Å; M522-V525 HydrophobicContact SD-CG2 4.09Å; M522-A526 HydrophobicContact CG-CB 4.36Å; M522-A526 WeakPolarHBondContact O-CB 3.29Å; M522-A526 PolarHBondContact O-N 3.28Å; M522-A526 HydrophobicContact SD-CB 3.94Å; M522-I577 HydrophobicContact CB-CD1 4.17Å; M522-I577 HydrophobicContact CE-CD1 3.55Å; M522-I577 HydrophobicContact CG-CD1 4.43Å; M522-Q580 HydrophobicContact CE-CB 3.8Å; M522-V581 HydrophobicContact CB-CG2 4.27Å; M522-V581 HydrophobicContact CE-CG2 3.97Å; M522-V581 HydrophobicContact SD-CG2 4.48Å; M522-I584 HydrophobicContact CE-CD1 3.91Å; M522-I584 HydrophobicContact SD-CD1 3.89Å
523	K	93.3	Very high	91.6	Very high	98 Å²	98	46.5 Å²	46.5	43%	0.426	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-34.2	176.8	-174	172.2	-170.9	154.8	0	113.2	S515 Q518 T519 R520 A521 G527	S515-K523 PolarHBondContact O-NZ 2.64Å; S515-K523 VanDerWaalsContact OG-CE 3.27Å; S515-K523 WeakPolarHBondContact OG-CE 3.35Å; S515-K523 PolarHBondContact OG-NZ 2.72Å; Q518-K523 HydrophobicContact CB-CB 4.4Å; T519-K523 WeakPolarHBondContact O-CB 3.39Å; T519-K523 PolarHBondContact O-N 3Å; R520-K523 PolarHBondContact O-N 2.88Å; A521-K523 PolarHBondContact O-N 2.83Å; K523-G527 PolarHBondContact O-N 3.23Å
524	Q	92.2	Very high	91.4	Very high	101 Å²	101	46.1 Å²	46.1	47%	0.472	26%	0.258	S	S	.	.	H	α-helix	trans	-68.3	-29.7	176.2	-75.9	168.7	-79.8	0	0	113.1	R520 A521 M522 I628	R520-Q524 VanDerWaalsContact O-CG 3.28Å; R520-Q524 WeakPolarHBondContact O-CG 3.45Å; R520-Q524 PolarHBondContact O-N 2.59Å; R520-Q524 PolarHBondContact O-OE1 3.25Å; A521-Q524 PolarHBondContact O-N 3.02Å; M522-Q524 VanDerWaalsContact C-N 3.28Å; M522-Q524 PolarHBondContact O-N 2.83Å; Q524-I628 PolarHBondContact NE2-O 3.02Å
525	V	92.3	Very high	91.4	Very high	9 Å²	9	50 Å²	50	6%	0.055	27%	0.271	C	S	.	.	H	α-helix	trans	-101.4	-35.4	-177.8	-58.9	0	0	0	0	114.2	A521 M522 V581 I584 Y585 V588 I628	A521-V525 PolarHBondContact O-N 3.45Å; M522-V525 WeakPolarHBondContact O-CG2 3.44Å; M522-V525 PolarHBondContact O-N 2.85Å; M522-V525 VanDerWaalsContact O-N 3.15Å; M522-V525 HydrophobicContact SD-CG2 4.09Å; V525-V581 HydrophobicContact CG1-CG1 4.38Å; V525-V581 HydrophobicContact CG2-CG1 4.44Å; V525-V581 HydrophobicContact CG2-CG2 4.39Å; V525-I584 HydrophobicContact CB-CG2 4.21Å; V525-I584 HydrophobicContact CG2-CB 4.27Å; V525-I584 HydrophobicContact CG2-CG2 3.85Å; V525-Y585 HydrophobicContact CG1-CD2 3.92Å; V525-V588 WeakPolarHBondContact O-CG1 3.34Å; V525-I628 HydrophobicContact CG1-CD1 3.46Å; V525-I628 VanDerWaalsContact CG1-CD1 3.46Å
526	A	90.9	Very high	91.4	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.033	26%	0.259	C	S	.	.	H	α-helix	trans	-89.1	-7.8	-176.6	0	0	0	0	0	114.1	M522 T528 M529	M522-A526 HydrophobicContact CG-CB 4.36Å; M522-A526 WeakPolarHBondContact O-CB 3.29Å; M522-A526 PolarHBondContact O-N 3.28Å; M522-A526 HydrophobicContact SD-CB 3.94Å; A526-T528 VanDerWaalsContact C-N 3.32Å; A526-T528 PolarHBondContact O-N 3.11Å; A526-M529 WeakPolarHBondContact O-CB 3.39Å; A526-M529 PolarHBondContact O-N 3.39Å; A526-M529 VanDerWaalsContact O-N 3.08Å
527	G	87.8	Confident	91.2	Very high	54 Å²	54	50.1 Å²	50.1	56%	0.557	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-34.7	-168.6	0	0	0	0	0	115.7	K523	K523-G527 PolarHBondContact O-N 3.23Å
528	T	87.9	Confident	90.9	Very high	74 Å²	74	56 Å²	56	45%	0.454	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-23.2	175.1	57.3	0	0	0	0	113.1	A526 K530 L531 E532	A526-T528 VanDerWaalsContact C-N 3.32Å; A526-T528 PolarHBondContact O-N 3.11Å; T528-K530 VanDerWaalsContact C-N 3.27Å; T528-K530 PolarHBondContact O-N 3.48Å; T528-K530 VanDerWaalsContact O-N 3.11Å; T528-L531 WeakPolarHBondContact O-CB 3.44Å; T528-L531 PolarHBondContact O-N 2.67Å; T528-E532 WeakPolarHBondContact CB-OE1 3.19Å; T528-E532 PolarHBondContact O-N 3.13Å; T528-E532 PolarHBondContact OG1-OE1 2.97Å
529	M	90.6	Very high	90.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-53.6	-38.8	-169.9	-167.2	-173.6	-169.2	0	0	113.5	L295 A526 L533 L563 L567 I584 V588	L295-M529 HydrophobicContact CD2-CB 4.33Å; L295-M529 HydrophobicContact CD2-CG 4.1Å; L295-M529 HydrophobicContact CD2-SD 4.06Å; A526-M529 WeakPolarHBondContact O-CB 3.39Å; A526-M529 PolarHBondContact O-N 3.39Å; A526-M529 VanDerWaalsContact O-N 3.08Å; M529-L533 HydrophobicContact CE-CD1 4.4Å; M529-L533 HydrophobicContact CG-CD1 4.09Å; M529-L533 WeakPolarHBondContact O-CB 3.34Å; M529-L533 WeakPolarHBondContact O-CG 3.29Å; M529-L533 PolarHBondContact O-N 3.32Å; M529-L563 HydrophobicContact CE-CB 4.42Å; M529-L563 HydrophobicContact CE-CD2 4.23Å; M529-L563 HydrophobicContact CG-CD1 4.37Å; M529-L567 HydrophobicContact CE-CD1 3.92Å; M529-L567 HydrophobicContact CE-CD2 3.68Å; M529-L567 HydrophobicContact CE-CG 3.74Å; M529-I584 HydrophobicContact CE-CG2 4.49Å; M529-I584 HydrophobicContact SD-CG2 3.9Å; M529-V588 HydrophobicContact CB-CG2 3.95Å; M529-V588 HydrophobicContact CG-CG2 3.88Å; M529-V588 HydrophobicContact SD-CG2 4.17Å
530	K	90.2	Very high	90.5	Very high	59 Å²	59	56 Å²	56	26%	0.257	28%	0.282	S	S	.	.	H	α-helix	trans	-69.2	-35.7	178	-171.4	168.7	-168	162.4	0	113.2	L295 V506 S509 T528 A534	L295-K530 HydrophobicContact CD2-CB 4.04Å; L295-K530 WeakPolarHBondContact O-CD 3.48Å; L295-K530 PolarHBondContact O-NZ 2.79Å; V506-K530 HydrophobicContact CG1-CG 4.07Å; V506-K530 WeakPolarHBondContact O-CE 3.35Å; S509-K530 PolarHBondContact O-NZ 3.36Å; T528-K530 VanDerWaalsContact C-N 3.27Å; T528-K530 PolarHBondContact O-N 3.48Å; T528-K530 VanDerWaalsContact O-N 3.11Å; K530-A534 WeakPolarHBondContact O-CB 3.35Å; K530-A534 PolarHBondContact O-N 3.13Å
531	L	89.7	Confident	90.1	Very high	118 Å²	118	49.4 Å²	49.4	62%	0.618	27%	0.268	S	S	*	.	H	α-helix	trans	-73	-44.4	177	-63.2	173.7	0	0	0	110.3	T528 L533 A534 Q535	T528-L531 WeakPolarHBondContact O-CB 3.44Å; T528-L531 PolarHBondContact O-N 2.67Å; L531-L533 VanDerWaalsContact C-N 3.32Å; L531-L533 PolarHBondContact O-N 3.47Å; L531-A534 PolarHBondContact O-N 2.97Å; L531-Q535 WeakPolarHBondContact O-CB 3.23Å; L531-Q535 WeakPolarHBondContact O-CG 3.18Å; L531-Q535 PolarHBondContact O-N 3.42Å
532	E	90.5	Very high	89.6	Confident	30 Å²	30	57 Å²	57	14%	0.14	30%	0.301	C	S	.	.	H	α-helix	trans	-57.3	-43.6	174	-71.7	172.2	-107.5	0	0	111.4	T528 Y536 R559 L563	T528-E532 WeakPolarHBondContact CB-OE1 3.19Å; T528-E532 PolarHBondContact O-N 3.13Å; T528-E532 PolarHBondContact OG1-OE1 2.97Å; E532-Y536 WeakPolarHBondContact O-CB 3.32Å; E532-Y536 PolarHBondContact O-N 2.74Å; E532-R559 WeakPolarHBondContact OE2-CD 3.48Å; E532-R559 IonicContact OE2-CZ 3.9Å; E532-R559 IonicContact OE2-NE 3.22Å; E532-R559 IonicContact OE2-NH1 2.7Å; E532-R559 PolarHBondContact OE2-NH1 2.6Å; E532-L563 HydrophobicContact CB-CD1 4.43Å
533	L	92.4	Very high	89.2	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-73	-27.4	177.4	-75.6	170.8	0	0	0	114.4	L295 V506 M529 L531 Y536 R537 L563 L567	L295-L533 HydrophobicContact CD1-CD1 3.99Å; L295-L533 HydrophobicContact CD2-CD1 4.14Å; V506-L533 HydrophobicContact CG1-CB 3.96Å; V506-L533 HydrophobicContact CG2-CD1 4.49Å; M529-L533 HydrophobicContact CE-CD1 4.4Å; M529-L533 HydrophobicContact CG-CD1 4.09Å; M529-L533 WeakPolarHBondContact O-CB 3.34Å; M529-L533 WeakPolarHBondContact O-CG 3.29Å; M529-L533 PolarHBondContact O-N 3.32Å; L531-L533 VanDerWaalsContact C-N 3.32Å; L531-L533 PolarHBondContact O-N 3.47Å; L533-Y536 HydrophobicContact CD2-CD1 4.34Å; L533-R537 PolarHBondContact O-N 3.44Å; L533-L563 HydrophobicContact CD2-CB 3.83Å; L533-L563 HydrophobicContact CG-CB 4.36Å; L533-L563 HydrophobicContact CG-CD1 4.46Å; L533-L567 HydrophobicContact CD1-CD1 3.64Å
534	A	90.1	Very high	88.6	Confident	29 Å²	29	60.8 Å²	60.8	24%	0.24	33%	0.325	C	S	.	.	H	α-helix	trans	-72.2	-51.2	173.2	0	0	0	0	0	110.9	K530 L531 Y536 R537 E538	K530-A534 WeakPolarHBondContact O-CB 3.35Å; K530-A534 PolarHBondContact O-N 3.13Å; L531-A534 PolarHBondContact O-N 2.97Å; A534-Y536 VanDerWaalsContact C-N 3.28Å; A534-Y536 PolarHBondContact O-N 2.81Å; A534-R537 PolarHBondContact O-N 3.21Å; A534-E538 PolarHBondContact O-N 3.08Å; A534-E538 VanDerWaalsContact O-N 3.11Å
535	Q	90.3	Very high	88.1	Confident	99 Å²	99	64.5 Å²	64.5	46%	0.463	34%	0.34	S	S	.	.	H	α-helix	trans	-58.2	-40.8	175.1	-70.2	174.5	-18.9	0	0	111.5	L531 R537 E538 V539 L556	L531-Q535 WeakPolarHBondContact O-CB 3.23Å; L531-Q535 WeakPolarHBondContact O-CG 3.18Å; L531-Q535 PolarHBondContact O-N 3.42Å; Q535-R537 VanDerWaalsContact C-N 3.35Å; Q535-R537 PolarHBondContact O-N 3.25Å; Q535-E538 PolarHBondContact O-N 2.86Å; Q535-V539 WeakPolarHBondContact O-CB 3.46Å; Q535-V539 WeakPolarHBondContact O-CG2 3.33Å; Q535-V539 PolarHBondContact O-N 2.82Å; Q535-L556 HydrophobicContact CB-CD1 4.24Å; Q535-L556 HydrophobicContact CB-CD2 4.09Å
536	Y	91.6	Very high	87.1	Confident	43 Å²	43	65.8 Å²	65.8	17%	0.169	36%	0.355	C	S	.	.	H	α-helix	trans	-54.7	-46.6	171.9	165.9	-118.6	0	0	0	112.5	E532 L533 A534 A540 L557 G560 V561	E532-Y536 WeakPolarHBondContact O-CB 3.32Å; E532-Y536 PolarHBondContact O-N 2.74Å; L533-Y536 HydrophobicContact CD2-CD1 4.34Å; A534-Y536 VanDerWaalsContact C-N 3.28Å; A534-Y536 PolarHBondContact O-N 2.81Å; Y536-A540 HydrophobicContact CD2-CB 4.32Å; Y536-A540 HydrophobicContact CE2-CB 4Å; Y536-A540 WeakPolarHBondContact O-CB 3.39Å; Y536-A540 PolarHBondContact O-N 3.12Å; Y536-L557 HydrophobicContact CD2-CD2 4Å; Y536-L557 HydrophobicContact CE2-CD2 4.03Å; Y536-G560 VanDerWaalsContact CG-CA 3.47Å; Y536-V561 HydrophobicContact CE2-CG2 3.93Å; Y536-V561 WeakPolarHBondContact OH-CG2 3.32Å
537	R	87.8	Confident	86.1	Confident	76 Å²	76	70.9 Å²	70.9	29%	0.287	39%	0.39	S	S	.	.	H	α-helix	trans	-65.6	-42.1	179.7	-78.7	-171.1	177.8	-133.5	-0.8	112.6	E492 N505 L533 A534 Q535 A541	E492-R537 IonicContact OE2-NH1 3.43Å; E492-R537 PolarHBondContact OE2-NH1 3.26Å; N505-R537 PolarHBondContact ND2-NH1 3.46Å; N505-R537 VanDerWaalsContact ND2-NH1 3.15Å; L533-R537 PolarHBondContact O-N 3.44Å; A534-R537 PolarHBondContact O-N 3.21Å; Q535-R537 VanDerWaalsContact C-N 3.35Å; Q535-R537 PolarHBondContact O-N 3.25Å; R537-A541 PolarHBondContact O-N 3.12Å
538	E	86.3	Confident	85.8	Confident	126 Å²	126	75.1 Å²	75.1	59%	0.589	40%	0.4	S	S	*	.	H	α-helix	trans	-60.7	-51.8	177	-67.9	175	170.1	0	0	110.5	A534 Q535 A541 F542	A534-E538 PolarHBondContact O-N 3.08Å; A534-E538 VanDerWaalsContact O-N 3.11Å; Q535-E538 PolarHBondContact O-N 2.86Å; E538-A541 PolarHBondContact O-N 3.26Å; E538-F542 WeakPolarHBondContact O-CD2 3.45Å
539	V	89.1	Confident	85.6	Confident	35 Å²	35	74.1 Å²	74.1	21%	0.212	39%	0.392	C	S	.	.	H	α-helix	trans	-69.1	-35.5	-178	176	0	0	0	0	112.2	Q535 A541 F542 A543 T553 L556 L557	Q535-V539 WeakPolarHBondContact O-CB 3.46Å; Q535-V539 WeakPolarHBondContact O-CG2 3.33Å; Q535-V539 PolarHBondContact O-N 2.82Å; V539-A541 PolarHBondContact O-N 3.08Å; V539-F542 PolarHBondContact O-N 3.07Å; V539-F542 VanDerWaalsContact O-N 3.16Å; V539-A543 WeakPolarHBondContact O-CB 3.42Å; V539-A543 PolarHBondContact O-N 3.41Å; V539-T553 HydrophobicContact CG1-CG2 3.69Å; V539-L556 HydrophobicContact CB-CD2 4.25Å; V539-L556 HydrophobicContact CG2-CD2 3.86Å; V539-L557 HydrophobicContact CB-CD2 4.5Å; V539-L557 HydrophobicContact CG1-CD1 4.35Å; V539-L557 HydrophobicContact CG1-CD2 4.02Å; V539-L557 HydrophobicContact CG1-CG 4.09Å
540	A	87.4	Confident	85.6	Confident	23 Å²	23	78.5 Å²	78.5	19%	0.19	42%	0.415	C	S	.	.	H	α-helix	trans	-66.5	-20.8	176.9	0	0	0	0	0	113.9	Y536 Q544 L557	Y536-A540 HydrophobicContact CD2-CB 4.32Å; Y536-A540 HydrophobicContact CE2-CB 4Å; Y536-A540 WeakPolarHBondContact O-CB 3.39Å; Y536-A540 PolarHBondContact O-N 3.12Å; A540-Q544 PolarHBondContact O-NE2 3.19Å; A540-L557 HydrophobicContact CB-CD2 3.86Å
541	A	84.3	Confident	85.5	Confident	52 Å²	52	79.5 Å²	79.5	43%	0.43	44%	0.435	S	S	.	.	H	α-helix	trans	-74.2	-40.8	171.2	0	0	0	0	0	111.6	R537 E538 V539	R537-A541 PolarHBondContact O-N 3.12Å; E538-A541 PolarHBondContact O-N 3.26Å; V539-A541 PolarHBondContact O-N 3.08Å
542	F	83.1	Confident	85.5	Confident	163 Å²	163	77 Å²	77	72%	0.715	43%	0.431	S	S	*	.	H	α-helix	trans	-72.6	-37.2	176	-63.5	-70.7	0	0	0	112.6	E538 V539 Q544 F545	E538-F542 WeakPolarHBondContact O-CD2 3.45Å; V539-F542 PolarHBondContact O-N 3.07Å; V539-F542 VanDerWaalsContact O-N 3.16Å; F542-Q544 PolarHBondContact O-N 2.81Å; F542-F545 PolarHBondContact O-N 3.25Å
543	A	85.3	Confident	85.4	Confident	26 Å²	26	77 Å²	77	22%	0.215	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.1	-179.4	0	0	0	0	0	114.5	V539 F545 L549 L557	V539-A543 WeakPolarHBondContact O-CB 3.42Å; V539-A543 PolarHBondContact O-N 3.41Å; A543-F545 PolarHBondContact O-N 2.68Å; A543-L549 HydrophobicContact CB-CD1 3.99Å; A543-L557 HydrophobicContact CB-CD1 3.72Å; A543-L557 HydrophobicContact CB-CD2 4.29Å
544	Q	81.3	Confident	85.2	Confident	151 Å²	151	81.6 Å²	81.6	71%	0.706	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-14	172.1	-70.4	172	31.1	0	0	113.4	A540 F542	A540-Q544 PolarHBondContact O-NE2 3.19Å; F542-Q544 PolarHBondContact O-N 2.81Å
545	F	80.4	Confident	85.1	Confident	179 Å²	179	85.8 Å²	85.8	79%	0.785	47%	0.469	S	S	*	.	S	Bend	trans	-121.5	-4.5	-173.8	-56.2	-80.1	0	0	0	114.3	F542 A543	F542-F545 PolarHBondContact O-N 3.25Å; A543-F545 PolarHBondContact O-N 2.68Å
546	G	72.8	Confident	85.1	Confident	36 Å²	36	83 Å²	83	37%	0.371	46%	0.457	S	S	.	.			trans	-107.4	130.9	-179	0	0	0	0	0	112.6
547	S	69.4	Low	85.1	Confident	112 Å²	112	82.1 Å²	82.1	78%	0.783	46%	0.455	S	S	*	.	S	Bend	trans	-73.3	-43	172.3	52.4	0	0	0	0	112.3
548	D	80.7	Confident	85.2	Confident	142 Å²	142	82 Å²	82	76%	0.759	46%	0.46	S	S	*	.			trans	-114.9	120.6	-171.4	-63.4	-84.2	0	0	0	110
549	L	85.4	Confident	85.5	Confident	54 Å²	54	78.2 Å²	78.2	28%	0.283	44%	0.441	S	S	.	.			trans	-121.8	136.8	-179.5	-59.4	176.1	0	0	0	108.5	A543 T553 Q554 L557	A543-L549 HydrophobicContact CB-CD1 3.99Å; L549-T553 HydrophobicContact CB-CG2 3.96Å; L549-T553 HydrophobicContact CD1-CG2 4.32Å; L549-T553 HydrophobicContact CD2-CG2 4.07Å; L549-T553 HydrophobicContact CG-CG2 4.34Å; L549-Q554 HydrophobicContact CB-CG 3.93Å; L549-Q554 PolarHBondContact O-NE2 3.08Å; L549-L557 HydrophobicContact CD1-CD1 3.65Å
550	D	89.1	Confident	85.6	Confident	92 Å²	92	76.7 Å²	76.7	49%	0.492	43%	0.432	S	S	.	.			trans	-66.5	160.9	177.4	73.8	-89.4	0	0	0	112	A552 T553 Q554	D550-A552 VanDerWaalsContact C-N 3.28Å; D550-A552 PolarHBondContact O-N 3.26Å; D550-A552 WeakPolarHBondContact OD2-CA 3.32Å; D550-A552 WeakPolarHBondContact OD2-CB 3.37Å; D550-A552 PolarHBondContact OD2-N 3.41Å; D550-T553 PolarHBondContact O-N 2.62Å; D550-T553 WeakPolarHBondContact OD1-CB 3.44Å; D550-T553 PolarHBondContact OD1-OG1 3.31Å; D550-T553 PolarHBondContact OD2-N 3.35Å; D550-Q554 WeakPolarHBondContact O-CG 3.27Å; D550-Q554 PolarHBondContact O-N 3.08Å
551	A	88.9	Confident	85.9	Confident	80 Å²	80	77.8 Å²	77.8	66%	0.661	44%	0.436	S	S	*	.	H	α-helix	trans	-61.6	-30.3	-174.8	0	0	0	0	0	114.2	Q555	A551-Q555 WeakPolarHBondContact O-CB 3.4Å; A551-Q555 PolarHBondContact O-N 2.92Å
552	A	89.6	Confident	86.4	Confident	66 Å²	66	76.4 Å²	76.4	55%	0.545	42%	0.42	S	S	.	.	H	α-helix	trans	-76.5	-41.3	177.7	0	0	0	0	0	111	D550 Q555 L556	D550-A552 VanDerWaalsContact C-N 3.28Å; D550-A552 PolarHBondContact O-N 3.26Å; D550-A552 WeakPolarHBondContact OD2-CA 3.32Å; D550-A552 WeakPolarHBondContact OD2-CB 3.37Å; D550-A552 PolarHBondContact OD2-N 3.41Å; A552-Q555 PolarHBondContact O-N 3.15Å; A552-L556 WeakPolarHBondContact O-CB 3.47Å; A552-L556 PolarHBondContact O-N 3.48Å
553	T	88.6	Confident	86.9	Confident	30 Å²	30	68.8 Å²	68.8	18%	0.184	39%	0.386	C	S	.	.	H	α-helix	trans	-58.3	-46.2	169.5	-70.6	0	0	0	0	111.4	V539 L549 D550 Q555 L556 L557	V539-T553 HydrophobicContact CG1-CG2 3.69Å; L549-T553 HydrophobicContact CB-CG2 3.96Å; L549-T553 HydrophobicContact CD1-CG2 4.32Å; L549-T553 HydrophobicContact CD2-CG2 4.07Å; L549-T553 HydrophobicContact CG-CG2 4.34Å; D550-T553 PolarHBondContact O-N 2.62Å; D550-T553 WeakPolarHBondContact OD1-CB 3.44Å; D550-T553 PolarHBondContact OD1-OG1 3.31Å; D550-T553 PolarHBondContact OD2-N 3.35Å; T553-Q555 VanDerWaalsContact C-N 3.34Å; T553-Q555 PolarHBondContact O-N 3.12Å; T553-L556 PolarHBondContact O-N 3.37Å; T553-L557 HydrophobicContact CG2-CD1 3.98Å; T553-L557 WeakPolarHBondContact O-CB 3.43Å; T553-L557 WeakPolarHBondContact O-CG 3.37Å; T553-L557 PolarHBondContact O-N 2.84Å
554	Q	87.8	Confident	87.3	Confident	99 Å²	99	68.6 Å²	68.6	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-60.3	-41.9	174.8	-70.7	-174.6	32.7	0	0	111.9	L549 D550 N558	L549-Q554 HydrophobicContact CB-CG 3.93Å; L549-Q554 PolarHBondContact O-NE2 3.08Å; D550-Q554 WeakPolarHBondContact O-CG 3.27Å; D550-Q554 PolarHBondContact O-N 3.08Å; Q554-N558 VanDerWaalsContact O-CB 3.25Å; Q554-N558 WeakPolarHBondContact O-CB 3.45Å; Q554-N558 PolarHBondContact O-N 2.97Å; Q554-N558 PolarHBondContact O-ND2 3.41Å
555	Q	89.1	Confident	87.9	Confident	118 Å²	118	63.3 Å²	63.3	55%	0.551	36%	0.358	S	S	*	.	H	α-helix	trans	-66.4	-42.4	177.8	-172.1	175.5	2.6	0	0	112	A551 A552 T553 N558 R559	A551-Q555 WeakPolarHBondContact O-CB 3.4Å; A551-Q555 PolarHBondContact O-N 2.92Å; A552-Q555 PolarHBondContact O-N 3.15Å; T553-Q555 VanDerWaalsContact C-N 3.34Å; T553-Q555 PolarHBondContact O-N 3.12Å; Q555-N558 PolarHBondContact O-N 2.8Å; Q555-R559 PolarHBondContact O-N 3.38Å
556	L	90.2	Very high	88.6	Confident	40 Å²	40	54.8 Å²	54.8	21%	0.209	32%	0.321	C	S	.	.	H	α-helix	trans	-60.6	-47.2	176.2	175.8	64.8	0	0	0	111.6	Q535 V539 A552 T553 R559 G560	Q535-L556 HydrophobicContact CB-CD1 4.24Å; Q535-L556 HydrophobicContact CB-CD2 4.09Å; V539-L556 HydrophobicContact CB-CD2 4.25Å; V539-L556 HydrophobicContact CG2-CD2 3.86Å; A552-L556 WeakPolarHBondContact O-CB 3.47Å; A552-L556 PolarHBondContact O-N 3.48Å; T553-L556 PolarHBondContact O-N 3.37Å; L556-R559 PolarHBondContact O-N 2.99Å; L556-G560 PolarHBondContact O-N 3.01Å
557	L	91	Very high	89.7	Confident	25 Å²	25	53.8 Å²	53.8	13%	0.131	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-46.7	175.5	-70.8	169.7	0	0	0	111.5	Y536 V539 A540 A543 L549 T553 R559 G560 V561	Y536-L557 HydrophobicContact CD2-CD2 4Å; Y536-L557 HydrophobicContact CE2-CD2 4.03Å; V539-L557 HydrophobicContact CB-CD2 4.5Å; V539-L557 HydrophobicContact CG1-CD1 4.35Å; V539-L557 HydrophobicContact CG1-CD2 4.02Å; V539-L557 HydrophobicContact CG1-CG 4.09Å; A540-L557 HydrophobicContact CB-CD2 3.86Å; A543-L557 HydrophobicContact CB-CD1 3.72Å; A543-L557 HydrophobicContact CB-CD2 4.29Å; L549-L557 HydrophobicContact CD1-CD1 3.65Å; T553-L557 HydrophobicContact CG2-CD1 3.98Å; T553-L557 WeakPolarHBondContact O-CB 3.43Å; T553-L557 WeakPolarHBondContact O-CG 3.37Å; T553-L557 PolarHBondContact O-N 2.84Å; L557-R559 PolarHBondContact O-N 2.91Å; L557-G560 PolarHBondContact O-N 2.82Å; L557-V561 WeakPolarHBondContact O-CG2 3.5Å; L557-V561 PolarHBondContact O-N 2.87Å
558	N	90.2	Very high	90.9	Very high	73 Å²	73	50.5 Å²	50.5	39%	0.39	28%	0.278	S	S	.	.	H	α-helix	trans	-57.8	-45.8	177.7	-91.8	-71.6	0	0	0	111.9	Q554 Q555 R562	Q554-N558 VanDerWaalsContact O-CB 3.25Å; Q554-N558 WeakPolarHBondContact O-CB 3.45Å; Q554-N558 PolarHBondContact O-N 2.97Å; Q554-N558 PolarHBondContact O-ND2 3.41Å; Q555-N558 PolarHBondContact O-N 2.8Å; N558-R562 VanDerWaalsContact C-NH1 3.32Å; N558-R562 VanDerWaalsContact CB-NH1 3.27Å; N558-R562 VanDerWaalsContact O-CD 3.32Å; N558-R562 WeakPolarHBondContact O-CD 3.49Å; N558-R562 WeakPolarHBondContact O-CG 3.36Å; N558-R562 PolarHBondContact O-N 2.93Å; N558-R562 PolarHBondContact O-NH1 3.49Å; N558-R562 PolarHBondContact OD1-NH1 2.72Å
559	R	91.1	Very high	91.6	Very high	47 Å²	47	44.9 Å²	44.9	18%	0.177	25%	0.247	C	C	.	.	H	α-helix	trans	-68.7	-44.9	176.6	179.5	174.3	-71.2	-164.2	-1.9	112	E532 Q555 L556 L557 V561 R562 L563 V588 D593	E532-R559 WeakPolarHBondContact OE2-CD 3.48Å; E532-R559 IonicContact OE2-CZ 3.9Å; E532-R559 IonicContact OE2-NE 3.22Å; E532-R559 IonicContact OE2-NH1 2.7Å; E532-R559 PolarHBondContact OE2-NH1 2.6Å; Q555-R559 PolarHBondContact O-N 3.38Å; L556-R559 PolarHBondContact O-N 2.99Å; L557-R559 PolarHBondContact O-N 2.91Å; R559-V561 VanDerWaalsContact C-N 3.35Å; R559-V561 PolarHBondContact O-N 3.31Å; R559-R562 CarbonylContact O-C 3.48Å; R559-R562 WeakPolarHBondContact O-CA 2.94Å; R559-R562 WeakPolarHBondContact O-CB 3.44Å; R559-R562 PolarHBondContact O-N 2.94Å; R559-L563 HydrophobicContact CG-CD1 3.78Å; R559-L563 HydrophobicContact CG-CG 3.88Å; R559-L563 WeakPolarHBondContact O-CG 3.33Å; R559-L563 PolarHBondContact O-N 3.15Å; R559-V588 PolarHBondContact NH1-O 3.17Å; R559-D593 IonicContact CZ-OD2 3.24Å; R559-D593 IonicContact NE-OD1 2.65Å; R559-D593 PolarHBondContact NE-OD1 2.86Å; R559-D593 IonicContact NE-OD2 2.92Å; R559-D593 PolarHBondContact NE-OD2 2.85Å; R559-D593 IonicContact NH2-OD1 2.68Å; R559-D593 IonicContact NH2-OD2 2.89Å; R559-D593 PolarHBondContact NH2-OD2 2.86Å
560	G	92.6	Very high	92	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-40.1	-176.4	0	0	0	0	0	113.7	Y536 L556 L557 T564	Y536-G560 VanDerWaalsContact CG-CA 3.47Å; L556-G560 PolarHBondContact O-N 3.01Å; L557-G560 PolarHBondContact O-N 2.82Å; G560-T564 WeakPolarHBondContact O-CB 3.21Å; G560-T564 PolarHBondContact O-N 3.15Å; G560-T564 PolarHBondContact O-OG1 3.18Å
561	V	92.9	Very high	92.1	Very high	47 Å²	47	45.1 Å²	45.1	29%	0.285	26%	0.257	S	S	.	.	H	α-helix	trans	-57.4	-48.7	169.4	171.1	0	0	0	0	110.7	Y536 L557 R559 T564 E565 P597	Y536-V561 HydrophobicContact CE2-CG2 3.93Å; Y536-V561 WeakPolarHBondContact OH-CG2 3.32Å; L557-V561 WeakPolarHBondContact O-CG2 3.5Å; L557-V561 PolarHBondContact O-N 2.87Å; R559-V561 VanDerWaalsContact C-N 3.35Å; R559-V561 PolarHBondContact O-N 3.31Å; V561-T564 WeakPolarHBondContact O-CB 3.26Å; V561-T564 PolarHBondContact O-N 2.89Å; V561-T564 VanDerWaalsContact O-N 3.13Å; V561-E565 PolarHBondContact O-N 3.03Å; V561-P597 HydrophobicContact CG1-CB 3.87Å; V561-P597 HydrophobicContact CG1-CG 3.74Å
562	R	94.6	Very high	92.2	Very high	23 Å²	23	45.5 Å²	45.5	9%	0.087	24%	0.242	C	C	.	.	H	α-helix	trans	-68	-40.1	-175	-66.9	173.1	169.2	80.7	-6.1	113	N558 R559 T564 E565 L566 L592 D593 M595 P597 I600	N558-R562 VanDerWaalsContact C-NH1 3.32Å; N558-R562 VanDerWaalsContact CB-NH1 3.27Å; N558-R562 VanDerWaalsContact O-CD 3.32Å; N558-R562 WeakPolarHBondContact O-CD 3.49Å; N558-R562 WeakPolarHBondContact O-CG 3.36Å; N558-R562 PolarHBondContact O-N 2.93Å; N558-R562 PolarHBondContact O-NH1 3.49Å; N558-R562 PolarHBondContact OD1-NH1 2.72Å; R559-R562 CarbonylContact O-C 3.48Å; R559-R562 WeakPolarHBondContact O-CA 2.94Å; R559-R562 WeakPolarHBondContact O-CB 3.44Å; R559-R562 PolarHBondContact O-N 2.94Å; R562-T564 VanDerWaalsContact C-N 3.31Å; R562-E565 PolarHBondContact O-N 3.14Å; R562-L566 VanDerWaalsContact O-CB 3.31Å; R562-L566 WeakPolarHBondContact O-CB 3.42Å; R562-L566 PolarHBondContact O-N 3.21Å; R562-L592 VanDerWaalsContact CD-O 3.27Å; R562-L592 WeakPolarHBondContact CD-O 3.4Å; R562-L592 PolarHBondContact NE-O 3.19Å; R562-D593 VanDerWaalsContact CZ-O 3.24Å; R562-D593 PolarHBondContact NE-O 3Å; R562-D593 PolarHBondContact NH2-O 3.35Å; R562-M595 PolarHBondContact NE-O 2.81Å; R562-M595 PolarHBondContact NH2-O 2.6Å; R562-P597 HydrophobicContact CG-CG 4.47Å; R562-I600 HydrophobicContact CB-CD1 3.47Å; R562-I600 VanDerWaalsContact CB-CD1 3.47Å; R562-I600 HydrophobicContact CG-CD1 3.55Å
563	L	94.2	Very high	92.4	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-34.3	171.2	-64.8	179.8	0	0	0	111.6	M529 E532 L533 R559 L566 L567 V588	M529-L563 HydrophobicContact CE-CB 4.42Å; M529-L563 HydrophobicContact CE-CD2 4.23Å; M529-L563 HydrophobicContact CG-CD1 4.37Å; E532-L563 HydrophobicContact CB-CD1 4.43Å; L533-L563 HydrophobicContact CD2-CB 3.83Å; L533-L563 HydrophobicContact CG-CB 4.36Å; L533-L563 HydrophobicContact CG-CD1 4.46Å; R559-L563 HydrophobicContact CG-CD1 3.78Å; R559-L563 HydrophobicContact CG-CG 3.88Å; R559-L563 WeakPolarHBondContact O-CG 3.33Å; R559-L563 PolarHBondContact O-N 3.15Å; L563-L566 HydrophobicContact CD2-CD2 4.39Å; L563-L566 PolarHBondContact O-N 3.27Å; L563-L567 WeakPolarHBondContact O-CG 3.48Å; L563-L567 PolarHBondContact O-N 2.97Å; L563-L567 VanDerWaalsContact O-N 3.13Å; L563-V588 HydrophobicContact CD2-CG2 4.22Å
564	T	93.9	Very high	92.7	Very high	23 Å²	23	45.3 Å²	45.3	14%	0.141	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-40.6	175.6	-58.7	0	0	0	0	111.9	I500 G560 V561 R562 L567	I500-T564 HydrophobicContact CD1-CG2 3.62Å; I500-T564 HydrophobicContact CG1-CG2 3.98Å; G560-T564 WeakPolarHBondContact O-CB 3.21Å; G560-T564 PolarHBondContact O-N 3.15Å; G560-T564 PolarHBondContact O-OG1 3.18Å; V561-T564 WeakPolarHBondContact O-CB 3.26Å; V561-T564 PolarHBondContact O-N 2.89Å; V561-T564 VanDerWaalsContact O-N 3.13Å; R562-T564 VanDerWaalsContact C-N 3.31Å; T564-L567 PolarHBondContact O-N 2.99Å
565	E	94.5	Very high	93	Very high	39 Å²	39	41.1 Å²	41.1	18%	0.182	22%	0.218	C	C	.	.	H	α-helix	trans	-64.6	-44.8	171.6	-68.8	-56.9	127.7	0	0	111.9	V561 R562 L567 K568 P597 I600	V561-E565 PolarHBondContact O-N 3.03Å; R562-E565 PolarHBondContact O-N 3.14Å; E565-L567 PolarHBondContact O-N 2.91Å; E565-K568 WeakPolarHBondContact O-CB 3.49Å; E565-K568 PolarHBondContact O-N 3.26Å; E565-K568 VanDerWaalsContact OE1-CE 3.27Å; E565-K568 WeakPolarHBondContact OE1-CE 3.38Å; E565-K568 IonicContact OE1-NZ 2.79Å; E565-K568 PolarHBondContact OE1-NZ 3.36Å; E565-K568 VanDerWaalsContact OE2-CE 3.3Å; E565-K568 WeakPolarHBondContact OE2-CE 3.41Å; E565-K568 IonicContact OE2-NZ 3.8Å; E565-K568 PolarHBondContact OE2-NZ 3.37Å; E565-P597 HydrophobicContact CG-CB 4.22Å; E565-I600 HydrophobicContact CB-CB 4.15Å; E565-I600 HydrophobicContact CB-CD1 4.41Å; E565-I600 HydrophobicContact CB-CG2 4.07Å
566	L	94.9	Very high	93.3	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-23.5	179.5	-169.2	68	0	0	0	113.5	K290 R562 L563 V583 L592 I600	K290-L566 WeakPolarHBondContact CE-O 3.46Å; K290-L566 PolarHBondContact NZ-O 3.25Å; R562-L566 VanDerWaalsContact O-CB 3.31Å; R562-L566 WeakPolarHBondContact O-CB 3.42Å; R562-L566 PolarHBondContact O-N 3.21Å; L563-L566 HydrophobicContact CD2-CD2 4.39Å; L563-L566 PolarHBondContact O-N 3.27Å; L566-V583 HydrophobicContact CD1-CG1 3.59Å; L566-V583 HydrophobicContact CG-CG1 4.05Å; L566-L592 HydrophobicContact CD1-CD1 3.91Å; L566-L592 HydrophobicContact CD2-CD1 4.19Å; L566-I600 HydrophobicContact CB-CG2 4.08Å; L566-I600 HydrophobicContact CD1-CG2 3.99Å
567	L	94.9	Very high	93.4	Very high	15 Å²	15	34.8 Å²	34.8	8%	0.079	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-8.9	176.6	-76.1	178.9	0	0	0	114.2	K290 A291 L295 M529 L533 L563 T564 E565	K290-L567 HydrophobicContact CB-CD2 4.08Å; A291-L567 HydrophobicContact CB-CB 4.38Å; A291-L567 HydrophobicContact CB-CD2 4.13Å; L295-L567 HydrophobicContact CD1-CD1 3.71Å; M529-L567 HydrophobicContact CE-CD1 3.92Å; M529-L567 HydrophobicContact CE-CD2 3.68Å; M529-L567 HydrophobicContact CE-CG 3.74Å; L533-L567 HydrophobicContact CD1-CD1 3.64Å; L563-L567 WeakPolarHBondContact O-CG 3.48Å; L563-L567 PolarHBondContact O-N 2.97Å; L563-L567 VanDerWaalsContact O-N 3.13Å; T564-L567 PolarHBondContact O-N 2.99Å; E565-L567 PolarHBondContact O-N 2.91Å
568	K	95.5	Very high	93.5	Very high	42 Å²	42	34.3 Å²	34.3	18%	0.183	19%	0.185	C	C	.	.			trans	-66.2	137.9	176.6	-66.9	-179.6	-178.1	171.4	0	111	K290 G499 R501 E565	K290-K568 WeakPolarHBondContact CE-O 3.41Å; K290-K568 PolarHBondContact NZ-O 2.91Å; G499-K568 VanDerWaalsContact O-CE 3.3Å; G499-K568 WeakPolarHBondContact O-CE 3.34Å; R501-K568 CarbonylContact O-C 3.43Å; R501-K568 VanDerWaalsContact O-CA 3.29Å; R501-K568 WeakPolarHBondContact O-CA 3.42Å; E565-K568 WeakPolarHBondContact O-CB 3.49Å; E565-K568 PolarHBondContact O-N 3.26Å; E565-K568 VanDerWaalsContact OE1-CE 3.27Å; E565-K568 WeakPolarHBondContact OE1-CE 3.38Å; E565-K568 IonicContact OE1-NZ 2.79Å; E565-K568 PolarHBondContact OE1-NZ 3.36Å; E565-K568 VanDerWaalsContact OE2-CE 3.3Å; E565-K568 WeakPolarHBondContact OE2-CE 3.41Å; E565-K568 IonicContact OE2-NZ 3.8Å; E565-K568 PolarHBondContact OE2-NZ 3.37Å
569	Q	95.3	Very high	93.8	Very high	25 Å²	25	32 Å²	32	12%	0.117	17%	0.173	C	C	.	.			trans	-146.3	142.2	-177.6	-166.3	167.8	-15.5	0	0	110.7	G288 R501 S573	G288-Q569 PolarHBondContact O-NE2 3.37Å; R501-Q569 PolarHBondContact O-N 3.12Å; Q569-S573 PolarHBondContact NE2-O 2.9Å
570	G	92.8	Very high	94	Very high	48 Å²	48	29.8 Å²	29.8	50%	0.495	16%	0.164	S	C	.	.			trans	-74.9	145.6	174.8	0	0	0	0	0	111.8
571	Q	91.5	Very high	94.1	Very high	103 Å²	103	29.7 Å²	29.7	48%	0.481	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	148.2	171.2	-63.6	180	-2.1	0	0	110.5	A316 S573	A316-Q571 HydrophobicContact CB-CG 4.09Å; Q571-S573 PolarHBondContact O-N 2.98Å
572	Y	91.9	Very high	94.2	Very high	87 Å²	87	27.6 Å²	27.6	34%	0.341	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	21.3	179.3	-37	-61.1	0	0	0	114.1	I319 D320 I323 R358 P574	I319-Y572 HydrophobicContact CB-CE1 4.24Å; I319-Y572 HydrophobicContact CD1-CE1 4.4Å; I319-Y572 HydrophobicContact CG2-CD1 3.86Å; I319-Y572 HydrophobicContact CG2-CE1 3.69Å; D320-Y572 VanDerWaalsContact CG-N 3.32Å; D320-Y572 WeakPolarHBondContact OD1-CA 3.38Å; D320-Y572 WeakPolarHBondContact OD1-CD1 3.26Å; D320-Y572 PolarHBondContact OD1-N 2.79Å; D320-Y572 PolarHBondContact OD2-N 2.88Å; I323-Y572 HydrophobicContact CD1-CD1 4.02Å; R358-Y572 PolarHBondContact NH1-OH 3.04Å; Y572-P574 WeakPolarHBondContact O-CD 3.34Å
573	S	92.6	Very high	94.2	Very high	74 Å²	74	26.5 Å²	26.5	52%	0.517	15%	0.146	S	C	.	.			trans	-124.8	63.9	177.2	-167	0	0	0	0	111.6	Q569 Q571	Q569-S573 PolarHBondContact NE2-O 2.9Å; Q571-S573 PolarHBondContact O-N 2.98Å
574	P	94.8	Very high	94.2	Very high	18 Å²	18	26.4 Å²	26.4	12%	0.117	15%	0.146	C	C	.	.			trans	-72.6	139.2	178.9	29.7	-34.2	0	0	0	112.3	G288 I323 N324 R327 Y572	G288-P574 WeakPolarHBondContact O-CA 3.24Å; I323-P574 HydrophobicContact CB-CG 4.41Å; I323-P574 HydrophobicContact CG2-CG 3.94Å; N324-P574 HydrophobicContact CB-CB 3.73Å; N324-P574 HydrophobicContact CB-CG 4.15Å; R327-P574 PolarHBondContact NH2-O 3.35Å; Y572-P574 WeakPolarHBondContact O-CD 3.34Å
575	M	94.7	Very high	94.2	Very high	12 Å²	12	25.4 Å²	25.4	6%	0.059	14%	0.14	C	C	.	.			trans	-109.8	137.1	-170.1	-174.4	-177.3	-63.4	0	0	111.2	G288 K290 E579 Q580 V583 E604 L608	G288-M575 VanDerWaalsContact CA-O 3.31Å; G288-M575 WeakPolarHBondContact CA-O 3.37Å; G288-M575 PolarHBondContact O-N 2.87Å; K290-M575 HydrophobicContact CD-CE 3.91Å; K290-M575 HydrophobicContact CD-SD 4.02Å; K290-M575 HydrophobicContact CG-CE 4.34Å; K290-M575 HydrophobicContact CG-SD 4Å; M575-E579 WeakPolarHBondContact CA-OE2 3.32Å; M575-E579 HydrophobicContact CG-CB 3.41Å; M575-E579 VanDerWaalsContact CG-CB 3.41Å; M575-E579 HydrophobicContact CG-CG 4.41Å; M575-E579 VanDerWaalsContact CG-OE2 3.31Å; M575-E579 WeakPolarHBondContact CG-OE2 3.41Å; M575-E579 HydrophobicContact SD-CB 4.12Å; M575-Q580 HydrophobicContact CB-CG 3.85Å; M575-Q580 HydrophobicContact CG-CG 3.66Å; M575-Q580 PolarHBondContact O-NE2 2.95Å; M575-Q580 HydrophobicContact SD-CB 4.18Å; M575-Q580 HydrophobicContact SD-CG 3.64Å; M575-V583 HydrophobicContact SD-CG2 4.35Å; M575-E604 WeakPolarHBondContact CE-OE1 3.33Å; M575-L608 HydrophobicContact CE-CD1 3.58Å; M575-L608 HydrophobicContact SD-CD1 4.45Å; M575-L608 HydrophobicContact SD-CD2 4.45Å
576	A	94.7	Very high	94.2	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.033	13%	0.131	C	C	.	.			trans	-64.6	157.3	178.9	0	0	0	0	0	112.2	E578 E579 Q580	A576-E578 VanDerWaalsContact C-N 3.27Å; A576-E578 HydrophobicContact CB-CG 4.17Å; A576-E578 PolarHBondContact O-N 3.45Å; A576-E579 HydrophobicContact CB-CB 4.23Å; A576-E579 VanDerWaalsContact CB-CD 3.43Å; A576-E579 HydrophobicContact CB-CG 3.89Å; A576-E579 VanDerWaalsContact CB-OE1 3.27Å; A576-E579 WeakPolarHBondContact CB-OE1 3.19Å; A576-E579 VanDerWaalsContact N-CD 3.35Å; A576-E579 PolarHBondContact N-OE2 3.32Å; A576-E579 WeakPolarHBondContact O-CB 3.49Å; A576-E579 PolarHBondContact O-N 2.85Å; A576-E579 VanDerWaalsContact O-N 3.16Å; A576-Q580 VanDerWaalsContact O-CG 3.3Å; A576-Q580 WeakPolarHBondContact O-CG 3.46Å; A576-Q580 PolarHBondContact O-N 3.29Å
577	I	93.4	Very high	94	Very high	20 Å²	20	23.7 Å²	23.7	10%	0.103	13%	0.132	C	C	.	.	H	α-helix	trans	-61.8	-36.6	179.6	-163.7	68.7	0	0	0	112.3	T519 M522 V581	T519-I577 HydrophobicContact CG2-CG1 4.03Å; M522-I577 HydrophobicContact CB-CD1 4.17Å; M522-I577 HydrophobicContact CE-CD1 3.55Å; M522-I577 HydrophobicContact CG-CD1 4.43Å; I577-V581 WeakPolarHBondContact O-CB 3.01Å; I577-V581 WeakPolarHBondContact O-CG2 3.5Å; I577-V581 PolarHBondContact O-N 3.06Å
578	E	93.4	Very high	93.8	Very high	15 Å²	15	23.8 Å²	23.8	7%	0.07	13%	0.133	C	C	.	.	H	α-helix	trans	-68.3	-38.7	175.7	60.4	-87.3	-155.4	0	0	112.7	A576 A582 L619 I622 K623	A576-E578 VanDerWaalsContact C-N 3.27Å; A576-E578 HydrophobicContact CB-CG 4.17Å; A576-E578 PolarHBondContact O-N 3.45Å; E578-A582 PolarHBondContact O-N 2.93Å; E578-L619 HydrophobicContact CB-CB 4.47Å; E578-L619 HydrophobicContact CB-CD2 3.93Å; E578-L619 HydrophobicContact CG-CB 4.15Å; E578-L619 HydrophobicContact CG-CD2 4.04Å; E578-L619 WeakPolarHBondContact O-CD2 3.46Å; E578-I622 HydrophobicContact CB-CG2 4.21Å; E578-K623 HydrophobicContact CB-CB 4.47Å; E578-K623 VanDerWaalsContact OE1-CD 3.27Å; E578-K623 WeakPolarHBondContact OE1-CD 3.4Å; E578-K623 WeakPolarHBondContact OE1-CE 3.33Å; E578-K623 IonicContact OE1-NZ 2.72Å; E578-K623 PolarHBondContact OE1-NZ 3.31Å
579	E	94.9	Very high	93.6	Very high	26 Å²	26	28.1 Å²	28.1	12%	0.121	15%	0.149	C	C	.	.	H	α-helix	trans	-63.7	-49.5	173.1	-66.4	157.7	-150.9	0	0	110.2	R327 M575 A576 V581 A582 V583 L608 L612	R327-E579 IonicContact CZ-OE1 3.34Å; R327-E579 IonicContact CZ-OE2 2.67Å; R327-E579 IonicContact NH1-OE1 3.96Å; R327-E579 PolarHBondContact NH1-OE1 2.81Å; R327-E579 IonicContact NH1-OE2 3.33Å; R327-E579 IonicContact NH2-OE1 3.96Å; R327-E579 PolarHBondContact NH2-OE1 3.42Å; R327-E579 IonicContact NH2-OE2 3.23Å; R327-E579 PolarHBondContact NH2-OE2 2.76Å; M575-E579 WeakPolarHBondContact CA-OE2 3.32Å; M575-E579 HydrophobicContact CG-CB 3.41Å; M575-E579 VanDerWaalsContact CG-CB 3.41Å; M575-E579 HydrophobicContact CG-CG 4.41Å; M575-E579 VanDerWaalsContact CG-OE2 3.31Å; M575-E579 WeakPolarHBondContact CG-OE2 3.41Å; M575-E579 HydrophobicContact SD-CB 4.12Å; A576-E579 HydrophobicContact CB-CB 4.23Å; A576-E579 VanDerWaalsContact CB-CD 3.43Å; A576-E579 HydrophobicContact CB-CG 3.89Å; A576-E579 VanDerWaalsContact CB-OE1 3.27Å; A576-E579 WeakPolarHBondContact CB-OE1 3.19Å; A576-E579 VanDerWaalsContact N-CD 3.35Å; A576-E579 PolarHBondContact N-OE2 3.32Å; A576-E579 WeakPolarHBondContact O-CB 3.49Å; A576-E579 PolarHBondContact O-N 2.85Å; A576-E579 VanDerWaalsContact O-N 3.16Å; E579-V581 PolarHBondContact O-N 2.9Å; E579-A582 PolarHBondContact O-N 3.22Å; E579-V583 WeakPolarHBondContact O-CG2 3.31Å; E579-V583 PolarHBondContact O-N 2.81Å; E579-L608 HydrophobicContact CB-CD2 4.08Å; E579-L612 HydrophobicContact CG-CD2 4.24Å
580	Q	95.5	Very high	93.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.3	-42.7	178.9	-68.3	-177.3	43.6	0	0	112.5	K290 D293 M522 M575 A576 A582 V583 I584	K290-Q580 HydrophobicContact CG-CG 3.98Å; D293-Q580 PolarHBondContact OD2-NE2 2.92Å; M522-Q580 HydrophobicContact CE-CB 3.8Å; M575-Q580 HydrophobicContact CB-CG 3.85Å; M575-Q580 HydrophobicContact CG-CG 3.66Å; M575-Q580 PolarHBondContact O-NE2 2.95Å; M575-Q580 HydrophobicContact SD-CB 4.18Å; M575-Q580 HydrophobicContact SD-CG 3.64Å; A576-Q580 VanDerWaalsContact O-CG 3.3Å; A576-Q580 WeakPolarHBondContact O-CG 3.46Å; A576-Q580 PolarHBondContact O-N 3.29Å; Q580-A582 VanDerWaalsContact C-N 3.34Å; Q580-A582 PolarHBondContact O-N 2.93Å; Q580-V583 PolarHBondContact O-N 2.95Å; Q580-I584 WeakPolarHBondContact O-CB 3.4Å; Q580-I584 WeakPolarHBondContact O-CG1 3.49Å; Q580-I584 PolarHBondContact O-N 3.42Å
581	V	95.1	Very high	93.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.2	-43.7	179.3	162.5	0	0	0	0	111	A521 M522 V525 I577 E579 Y585 I622 I628	A521-V581 HydrophobicContact CB-CG1 4.36Å; A521-V581 HydrophobicContact CB-CG2 4.07Å; M522-V581 HydrophobicContact CB-CG2 4.27Å; M522-V581 HydrophobicContact CE-CG2 3.97Å; M522-V581 HydrophobicContact SD-CG2 4.48Å; V525-V581 HydrophobicContact CG1-CG1 4.38Å; V525-V581 HydrophobicContact CG2-CG1 4.44Å; V525-V581 HydrophobicContact CG2-CG2 4.39Å; I577-V581 WeakPolarHBondContact O-CB 3.01Å; I577-V581 WeakPolarHBondContact O-CG2 3.5Å; I577-V581 PolarHBondContact O-N 3.06Å; E579-V581 PolarHBondContact O-N 2.9Å; V581-Y585 WeakPolarHBondContact O-CB 3.48Å; V581-Y585 PolarHBondContact O-N 3.25Å; V581-I622 HydrophobicContact CG1-CG2 4.4Å; V581-I628 HydrophobicContact CG1-CD1 3.79Å; V581-I628 HydrophobicContact CG1-CG1 4.21Å
582	A	94.4	Very high	93.3	Very high	2 Å²	2	22.5 Å²	22.5	2%	0.017	11%	0.114	C	C	.	.	H	α-helix	trans	-65	-40.9	178.4	0	0	0	0	0	112.5	E578 E579 Q580 A586 I611 L636	E578-A582 PolarHBondContact O-N 2.93Å; E579-A582 PolarHBondContact O-N 3.22Å; Q580-A582 VanDerWaalsContact C-N 3.34Å; Q580-A582 PolarHBondContact O-N 2.93Å; A582-A586 PolarHBondContact O-N 3.33Å; A582-I611 HydrophobicContact CB-CD1 3.88Å; A582-L636 HydrophobicContact CB-CD2 4.2Å
583	V	94.9	Very high	93.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.7	-48.8	177	172.7	0	0	0	0	111.4	K290 L566 M575 E579 Q580 Y585 A586 E604 L608	K290-V583 HydrophobicContact CD-CG1 4.28Å; L566-V583 HydrophobicContact CD1-CG1 3.59Å; L566-V583 HydrophobicContact CG-CG1 4.05Å; M575-V583 HydrophobicContact SD-CG2 4.35Å; E579-V583 WeakPolarHBondContact O-CG2 3.31Å; E579-V583 PolarHBondContact O-N 2.81Å; Q580-V583 PolarHBondContact O-N 2.95Å; V583-Y585 VanDerWaalsContact C-N 3.33Å; V583-Y585 PolarHBondContact O-N 3.12Å; V583-A586 PolarHBondContact O-N 2.85Å; V583-E604 HydrophobicContact CG1-CG 3.97Å; V583-E604 HydrophobicContact CG2-CG 4.21Å; V583-L608 HydrophobicContact CG2-CD1 4.15Å; V583-L608 HydrophobicContact CG2-CD2 3.6Å; V583-L608 HydrophobicContact CG2-CG 3.78Å
584	I	94.9	Very high	93	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-67	-35.3	-178.6	-68.7	166.5	0	0	0	111.3	M522 V525 M529 Q580 A586 G587 V588	M522-I584 HydrophobicContact CE-CD1 3.91Å; M522-I584 HydrophobicContact SD-CD1 3.89Å; V525-I584 HydrophobicContact CB-CG2 4.21Å; V525-I584 HydrophobicContact CG2-CB 4.27Å; V525-I584 HydrophobicContact CG2-CG2 3.85Å; M529-I584 HydrophobicContact CE-CG2 4.49Å; M529-I584 HydrophobicContact SD-CG2 3.9Å; Q580-I584 WeakPolarHBondContact O-CB 3.4Å; Q580-I584 WeakPolarHBondContact O-CG1 3.49Å; Q580-I584 PolarHBondContact O-N 3.42Å; I584-A586 VanDerWaalsContact C-N 3.34Å; I584-A586 PolarHBondContact O-N 2.87Å; I584-G587 PolarHBondContact O-N 3Å; I584-V588 HydrophobicContact CG2-CG2 3.91Å; I584-V588 PolarHBondContact O-N 3.49Å
585	Y	94.3	Very high	92.8	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-54.1	-47.8	174	-177.8	-85.9	0	0	0	112	V525 V581 V583 G587 R589 H591 I628 D633 L636 V640	V525-Y585 HydrophobicContact CG1-CD2 3.92Å; V581-Y585 WeakPolarHBondContact O-CB 3.48Å; V581-Y585 PolarHBondContact O-N 3.25Å; V583-Y585 VanDerWaalsContact C-N 3.33Å; V583-Y585 PolarHBondContact O-N 3.12Å; Y585-G587 VanDerWaalsContact C-N 3.29Å; Y585-G587 PolarHBondContact O-N 3.11Å; Y585-R589 HydrophobicContact CD1-CG 4.05Å; Y585-R589 HydrophobicContact CD2-CG 4.01Å; Y585-R589 HydrophobicContact CE1-CG 3.83Å; Y585-R589 HydrophobicContact CE2-CG 3.81Å; Y585-R589 HydrophobicContact CG-CG 4.12Å; Y585-R589 VanDerWaalsContact O-CB 3.25Å; Y585-R589 WeakPolarHBondContact O-CB 3.5Å; Y585-R589 VanDerWaalsContact O-CG 3.27Å; Y585-R589 WeakPolarHBondContact O-CG 3.48Å; Y585-R589 PolarHBondContact O-N 2.69Å; Y585-H591 AromaticContact CE1-NE2 3.94Å; Y585-I628 HydrophobicContact CD2-CD1 4.27Å; Y585-D633 VanDerWaalsContact CE2-OD1 3.28Å; Y585-D633 WeakPolarHBondContact CE2-OD1 3.45Å; Y585-D633 VanDerWaalsContact OH-CG 3.3Å; Y585-D633 PolarHBondContact OH-O 3.32Å; Y585-D633 PolarHBondContact OH-OD1 2.91Å; Y585-D633 PolarHBondContact OH-OD2 3.34Å; Y585-L636 HydrophobicContact CD1-CB 4.2Å; Y585-L636 HydrophobicContact CD2-CD1 4.19Å; Y585-L636 HydrophobicContact CE1-CB 3.95Å; Y585-L636 HydrophobicContact CE2-CD1 4.4Å; Y585-L636 HydrophobicContact CG-CD1 4.35Å; Y585-V640 HydrophobicContact CD1-CG2 4.39Å
586	A	93.4	Very high	92.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.9	-39	-180	0	0	0	0	0	112.6	A582 V583 I584 H591 L592 F603 V640	A582-A586 PolarHBondContact O-N 3.33Å; V583-A586 PolarHBondContact O-N 2.85Å; I584-A586 VanDerWaalsContact C-N 3.34Å; I584-A586 PolarHBondContact O-N 2.87Å; A586-H591 WeakPolarHBondContact O-CB 3.44Å; A586-H591 PolarHBondContact O-N 2.78Å; A586-H591 VanDerWaalsContact O-N 3.12Å; A586-L592 HydrophobicContact CB-CD1 4.5Å; A586-L592 HydrophobicContact CB-CG 4.35Å; A586-L592 PolarHBondContact O-N 3.18Å; A586-F603 HydrophobicContact CB-CE1 4.33Å; A586-F603 HydrophobicContact CB-CZ 4.4Å; A586-V640 HydrophobicContact CB-CG1 4.16Å; A586-V640 HydrophobicContact CB-CG2 4.19Å
587	G	91.9	Very high	92.5	Very high	3 Å²	3	32.9 Å²	32.9	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-68.2	-60.6	175.2	0	0	0	0	0	113.3	I584 Y585 R589 G590	I584-G587 PolarHBondContact O-N 3Å; Y585-G587 VanDerWaalsContact C-N 3.29Å; Y585-G587 PolarHBondContact O-N 3.11Å; G587-R589 VanDerWaalsContact C-N 3.34Å; G587-R589 PolarHBondContact O-N 3.08Å; G587-G590 WeakPolarHBondContact O-CA 3.32Å; G587-G590 PolarHBondContact O-N 3.27Å
588	V	91	Very high	92.5	Very high	17 Å²	17	35.2 Å²	35.2	10%	0.103	18%	0.175	C	C	.	.	H	α-helix	trans	-69.8	-29.7	-169.5	-178.3	0	0	0	0	112.5	V525 M529 R559 L563 I584 G590	V525-V588 WeakPolarHBondContact O-CG1 3.34Å; M529-V588 HydrophobicContact CB-CG2 3.95Å; M529-V588 HydrophobicContact CG-CG2 3.88Å; M529-V588 HydrophobicContact SD-CG2 4.17Å; R559-V588 PolarHBondContact NH1-O 3.17Å; L563-V588 HydrophobicContact CD2-CG2 4.22Å; I584-V588 HydrophobicContact CG2-CG2 3.91Å; I584-V588 PolarHBondContact O-N 3.49Å; V588-G590 PolarHBondContact O-N 3.05Å
589	R	90.4	Very high	92.5	Very high	134 Å²	134	37.5 Å²	37.5	51%	0.506	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-4.7	171.1	-64.5	-59.6	-155.4	-167.3	6.8	113.7	Y585 G587 H591 D633	Y585-R589 HydrophobicContact CD1-CG 4.05Å; Y585-R589 HydrophobicContact CD2-CG 4.01Å; Y585-R589 HydrophobicContact CE1-CG 3.83Å; Y585-R589 HydrophobicContact CE2-CG 3.81Å; Y585-R589 HydrophobicContact CG-CG 4.12Å; Y585-R589 VanDerWaalsContact O-CB 3.25Å; Y585-R589 WeakPolarHBondContact O-CB 3.5Å; Y585-R589 VanDerWaalsContact O-CG 3.27Å; Y585-R589 WeakPolarHBondContact O-CG 3.48Å; Y585-R589 PolarHBondContact O-N 2.69Å; G587-R589 VanDerWaalsContact C-N 3.34Å; G587-R589 PolarHBondContact O-N 3.08Å; R589-H591 VanDerWaalsContact C-N 3.35Å; R589-H591 WeakPolarHBondContact CB-NE2 3.39Å; R589-D633 IonicContact CZ-OD1 2.71Å; R589-D633 IonicContact NE-OD1 2.86Å; R589-D633 IonicContact NH2-OD1 2.73Å; R589-D633 PolarHBondContact NH2-OD1 2.96Å
590	G	89.1	Confident	92.4	Very high	15 Å²	15	36.2 Å²	36.2	16%	0.155	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	11	177.8	0	0	0	0	0	115.2	G587 V588 L592 D593	G587-G590 WeakPolarHBondContact O-CA 3.32Å; G587-G590 PolarHBondContact O-N 3.27Å; V588-G590 PolarHBondContact O-N 3.05Å; G590-L592 PolarHBondContact O-N 3.3Å; G590-D593 WeakPolarHBondContact CA-OD2 3.48Å; G590-D593 WeakPolarHBondContact O-CB 3.08Å; G590-D593 PolarHBondContact O-N 2.67Å; G590-D593 VanDerWaalsContact O-N 3.08Å
591	H	91	Very high	92.3	Very high	41 Å²	41	38.6 Å²	38.6	19%	0.19	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.6	179	-60.2	-48.3	0	0	0	112.1	Y585 A586 R589 V640 L644	Y585-H591 AromaticContact CE1-NE2 3.94Å; A586-H591 WeakPolarHBondContact O-CB 3.44Å; A586-H591 PolarHBondContact O-N 2.78Å; A586-H591 VanDerWaalsContact O-N 3.12Å; R589-H591 VanDerWaalsContact C-N 3.35Å; R589-H591 WeakPolarHBondContact CB-NE2 3.39Å; H591-V640 HydrophobicContact CB-CG1 3.52Å; H591-L644 HydrophobicContact CB-CD1 3.86Å; H591-L644 WeakPolarHBondContact O-CD1 3.47Å
592	L	92.1	Very high	92.2	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-5.8	174.9	-54	-176.2	0	0	0	114.4	R562 L566 A586 G590 K594 M595 F603 L644	R562-L592 VanDerWaalsContact CD-O 3.27Å; R562-L592 WeakPolarHBondContact CD-O 3.4Å; R562-L592 PolarHBondContact NE-O 3.19Å; L566-L592 HydrophobicContact CD1-CD1 3.91Å; L566-L592 HydrophobicContact CD2-CD1 4.19Å; A586-L592 HydrophobicContact CB-CD1 4.5Å; A586-L592 HydrophobicContact CB-CG 4.35Å; A586-L592 PolarHBondContact O-N 3.18Å; G590-L592 PolarHBondContact O-N 3.3Å; L592-K594 PolarHBondContact O-N 3.28Å; L592-M595 HydrophobicContact CD2-CE 4.47Å; L592-M595 HydrophobicContact CD2-SD 4.48Å; L592-M595 WeakPolarHBondContact O-CB 3.4Å; L592-M595 PolarHBondContact O-N 3.33Å; L592-F603 HydrophobicContact CD1-CD1 4.32Å; L592-F603 HydrophobicContact CD1-CE1 4.23Å; L592-F603 HydrophobicContact CD2-CD1 3.85Å; L592-F603 HydrophobicContact CD2-CD2 4.39Å; L592-F603 HydrophobicContact CD2-CE1 3.6Å; L592-F603 HydrophobicContact CD2-CE2 4.11Å; L592-F603 HydrophobicContact CD2-CG 4.27Å; L592-F603 HydrophobicContact CD2-CZ 3.73Å; L592-F603 HydrophobicContact CG-CE1 4.49Å; L592-L644 HydrophobicContact CD2-CD2 4.16Å
593	D	89.8	Confident	92.2	Very high	36 Å²	36	45.2 Å²	45.2	19%	0.193	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.2	-171.2	-72	-19.5	0	0	0	113.2	R559 R562 G590	R559-D593 IonicContact CZ-OD2 3.24Å; R559-D593 IonicContact NE-OD1 2.65Å; R559-D593 PolarHBondContact NE-OD1 2.86Å; R559-D593 IonicContact NE-OD2 2.92Å; R559-D593 PolarHBondContact NE-OD2 2.85Å; R559-D593 IonicContact NH2-OD1 2.68Å; R559-D593 IonicContact NH2-OD2 2.89Å; R559-D593 PolarHBondContact NH2-OD2 2.86Å; R562-D593 VanDerWaalsContact CZ-O 3.24Å; R562-D593 PolarHBondContact NE-O 3Å; R562-D593 PolarHBondContact NH2-O 3.35Å; G590-D593 WeakPolarHBondContact CA-OD2 3.48Å; G590-D593 WeakPolarHBondContact O-CB 3.08Å; G590-D593 PolarHBondContact O-N 2.67Å; G590-D593 VanDerWaalsContact O-N 3.08Å
594	K	88.7	Confident	92.2	Very high	207 Å²	207	45.9 Å²	45.9	90%	0.9	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-15	174.6	-66.4	-173.7	177.9	-175.9	0	115	L592	L592-K594 PolarHBondContact O-N 3.28Å
595	M	90.7	Very high	92.1	Very high	24 Å²	24	52.4 Å²	52.4	12%	0.118	25%	0.252	C	S	.	.	S	Bend	trans	-74.1	149.2	-176.2	-175.1	169.5	-74.7	0	0	111.3	R562 L592 K599 I600 F603 L644 F647	R562-M595 PolarHBondContact NE-O 2.81Å; R562-M595 PolarHBondContact NH2-O 2.6Å; L592-M595 HydrophobicContact CD2-CE 4.47Å; L592-M595 HydrophobicContact CD2-SD 4.48Å; L592-M595 WeakPolarHBondContact O-CB 3.4Å; L592-M595 PolarHBondContact O-N 3.33Å; M595-K599 HydrophobicContact CG-CB 4.05Å; M595-K599 HydrophobicContact SD-CB 4.12Å; M595-I600 HydrophobicContact CG-CG1 4.21Å; M595-I600 HydrophobicContact SD-CG1 3.9Å; M595-F603 HydrophobicContact CE-CB 3.97Å; M595-F603 HydrophobicContact CE-CD2 3.69Å; M595-F603 HydrophobicContact CE-CE2 4.49Å; M595-F603 HydrophobicContact CE-CG 3.97Å; M595-F603 HydrophobicContact SD-CB 3.7Å; M595-F603 HydrophobicContact SD-CD2 4.42Å; M595-F603 HydrophobicContact SD-CG 4.08Å; M595-L644 HydrophobicContact CE-CD2 3.54Å; M595-F647 HydrophobicContact CE-CD1 3.66Å; M595-F647 HydrophobicContact CE-CE1 3.78Å; M595-F647 HydrophobicContact SD-CE1 4.38Å
596	E	92.3	Very high	92.2	Very high	105 Å²	105	53.7 Å²	53.7	49%	0.491	26%	0.264	S	S	.	.			trans	-69.4	132.2	170.2	-168	-158.8	144.1	0	0	110.5	S598 K599	E596-S598 PolarHBondContact O-N 3.48Å; E596-S598 VanDerWaalsContact O-N 3.12Å; E596-S598 VanDerWaalsContact OE1-CB 3.31Å; E596-S598 WeakPolarHBondContact OE1-CB 3.29Å; E596-S598 PolarHBondContact OE1-OG 3.26Å; E596-K599 HydrophobicContact CB-CD 4.36Å; E596-K599 HydrophobicContact CB-CG 4.26Å; E596-K599 PolarHBondContact O-N 3.45Å; E596-K599 WeakPolarHBondContact OE2-CE 3.25Å
597	P	91.4	Very high	92.2	Very high	40 Å²	40	53.7 Å²	53.7	26%	0.26	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-52.9	-36.7	-177.4	-30.4	36.6	0	0	0	115	V561 R562 E565 K599 I600	V561-P597 HydrophobicContact CG1-CB 3.87Å; V561-P597 HydrophobicContact CG1-CG 3.74Å; R562-P597 HydrophobicContact CG-CG 4.47Å; E565-P597 HydrophobicContact CG-CB 4.22Å; P597-K599 PolarHBondContact O-N 2.61Å; P597-I600 PolarHBondContact O-N 3.29Å
598	S	92.4	Very high	92.3	Very high	70 Å²	70	54.8 Å²	54.8	49%	0.49	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-62.1	-25.5	179.4	79.4	0	0	0	0	113.6	E596	E596-S598 PolarHBondContact O-N 3.48Å; E596-S598 VanDerWaalsContact O-N 3.12Å; E596-S598 VanDerWaalsContact OE1-CB 3.31Å; E596-S598 WeakPolarHBondContact OE1-CB 3.29Å; E596-S598 PolarHBondContact OE1-OG 3.26Å
599	K	94	Very high	92.4	Very high	62 Å²	62	60.5 Å²	60.5	27%	0.27	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-85	-17.7	-178.2	-63	-172.3	180	-170.5	0	113.1	M595 E596 P597 T601 K602 F603 E648	M595-K599 HydrophobicContact CG-CB 4.05Å; M595-K599 HydrophobicContact SD-CB 4.12Å; E596-K599 HydrophobicContact CB-CD 4.36Å; E596-K599 HydrophobicContact CB-CG 4.26Å; E596-K599 PolarHBondContact O-N 3.45Å; E596-K599 WeakPolarHBondContact OE2-CE 3.25Å; P597-K599 PolarHBondContact O-N 2.61Å; K599-T601 PolarHBondContact O-N 3.03Å; K599-K602 CarbonylContact O-C 3.57Å; K599-K602 WeakPolarHBondContact O-CA 3.42Å; K599-K602 WeakPolarHBondContact O-CB 3.4Å; K599-K602 PolarHBondContact O-N 2.89Å; K599-F603 PolarHBondContact O-N 3.34Å; K599-E648 PolarHBondContact NZ-OXT 3.17Å
600	I	94.3	Very high	92.6	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-40.7	-172.3	-69.8	178.6	0	0	0	112.7	R562 E565 L566 M595 P597 K602 F603 E604	R562-I600 HydrophobicContact CB-CD1 3.47Å; R562-I600 VanDerWaalsContact CB-CD1 3.47Å; R562-I600 HydrophobicContact CG-CD1 3.55Å; E565-I600 HydrophobicContact CB-CB 4.15Å; E565-I600 HydrophobicContact CB-CD1 4.41Å; E565-I600 HydrophobicContact CB-CG2 4.07Å; L566-I600 HydrophobicContact CB-CG2 4.08Å; L566-I600 HydrophobicContact CD1-CG2 3.99Å; M595-I600 HydrophobicContact CG-CG1 4.21Å; M595-I600 HydrophobicContact SD-CG1 3.9Å; P597-I600 PolarHBondContact O-N 3.29Å; I600-K602 PolarHBondContact O-N 3.26Å; I600-F603 PolarHBondContact O-N 2.89Å; I600-E604 PolarHBondContact O-N 2.81Å
601	T	92.1	Very high	92.7	Very high	49 Å²	49	55.5 Å²	55.5	30%	0.301	27%	0.273	S	S	.	.	H	α-helix	trans	-69.6	-20.2	176.7	-54.5	0	0	0	0	112.6	K599 K605	K599-T601 PolarHBondContact O-N 3.03Å; T601-K605 WeakPolarHBondContact O-CG 3.47Å
602	K	93.6	Very high	92.7	Very high	142 Å²	142	57 Å²	57	62%	0.617	28%	0.282	S	S	*	.	H	α-helix	trans	-81.9	-46.8	171.3	-59.3	179.9	-179	176.9	0	110.6	K599 I600 E604 K605 A606 F647	K599-K602 CarbonylContact O-C 3.57Å; K599-K602 WeakPolarHBondContact O-CA 3.42Å; K599-K602 WeakPolarHBondContact O-CB 3.4Å; K599-K602 PolarHBondContact O-N 2.89Å; I600-K602 PolarHBondContact O-N 3.26Å; K602-E604 VanDerWaalsContact C-N 3.34Å; K602-E604 PolarHBondContact O-N 2.83Å; K602-K605 PolarHBondContact O-N 3.29Å; K602-A606 PolarHBondContact O-N 2.83Å; K602-A606 VanDerWaalsContact O-N 3.11Å; K602-F647 HydrophobicContact CB-CZ 4.21Å
603	F	95.1	Very high	92.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-52.1	-51.6	174.8	167.2	-90.6	0	0	0	110.9	A586 L592 M595 K599 I600 K605 A606 F607 F643 L644 F647	A586-F603 HydrophobicContact CB-CE1 4.33Å; A586-F603 HydrophobicContact CB-CZ 4.4Å; L592-F603 HydrophobicContact CD1-CD1 4.32Å; L592-F603 HydrophobicContact CD1-CE1 4.23Å; L592-F603 HydrophobicContact CD2-CD1 3.85Å; L592-F603 HydrophobicContact CD2-CD2 4.39Å; L592-F603 HydrophobicContact CD2-CE1 3.6Å; L592-F603 HydrophobicContact CD2-CE2 4.11Å; L592-F603 HydrophobicContact CD2-CG 4.27Å; L592-F603 HydrophobicContact CD2-CZ 3.73Å; L592-F603 HydrophobicContact CG-CE1 4.49Å; M595-F603 HydrophobicContact CE-CB 3.97Å; M595-F603 HydrophobicContact CE-CD2 3.69Å; M595-F603 HydrophobicContact CE-CE2 4.49Å; M595-F603 HydrophobicContact CE-CG 3.97Å; M595-F603 HydrophobicContact SD-CB 3.7Å; M595-F603 HydrophobicContact SD-CD2 4.42Å; M595-F603 HydrophobicContact SD-CG 4.08Å; K599-F603 PolarHBondContact O-N 3.34Å; I600-F603 PolarHBondContact O-N 2.89Å; F603-K605 VanDerWaalsContact C-N 3.32Å; F603-K605 PolarHBondContact O-N 2.99Å; F603-A606 PolarHBondContact O-N 3.05Å; F603-F607 HydrophobicContact CD1-CB 4.43Å; F603-F607 HydrophobicContact CE1-CB 4.02Å; F603-F607 HydrophobicContact CE1-CD1 4.03Å; F603-F607 HydrophobicContact CE1-CG 4.02Å; F603-F607 HydrophobicContact CE2-CB 4.23Å; F603-F607 HydrophobicContact CE2-CD2 4.41Å; F603-F607 HydrophobicContact CE2-CG 4.35Å; F603-F607 HydrophobicContact CZ-CB 3.91Å; F603-F607 HydrophobicContact CZ-CD1 4.05Å; F603-F607 AromaticContact CZ-CD2 3.98Å; F603-F607 HydrophobicContact CZ-CD2 3.98Å; F603-F607 AromaticContact CZ-CG 3.72Å; F603-F607 HydrophobicContact CZ-CG 3.72Å; F603-F607 WeakPolarHBondContact O-CB 3.48Å; F603-F607 PolarHBondContact O-N 2.88Å; F603-F643 HydrophobicContact CD2-CD1 4.17Å; F603-F643 AromaticContact CD2-CE1 3.88Å; F603-F643 HydrophobicContact CD2-CE1 3.88Å; F603-F643 AromaticContact CE2-CD1 3.66Å; F603-F643 HydrophobicContact CE2-CD1 3.66Å; F603-F643 AromaticContact CE2-CE1 3.83Å; F603-F643 HydrophobicContact CE2-CE1 3.83Å; F603-F643 HydrophobicContact CZ-CD1 4.47Å; F603-L644 HydrophobicContact CD2-CD2 3.87Å; F603-L644 HydrophobicContact CE2-CD2 3.46Å; F603-L644 VanDerWaalsContact CE2-CD2 3.46Å; F603-L644 HydrophobicContact CE2-CG 3.92Å; F603-L644 HydrophobicContact CZ-CD2 4.3Å; F603-F647 HydrophobicContact CB-CD1 4.44Å; F603-F647 HydrophobicContact CB-CE1 3.81Å; F603-F647 HydrophobicContact CB-CE2 4.34Å; F603-F647 HydrophobicContact CB-CZ 3.77Å; F603-F647 HydrophobicContact CD2-CD1 4.17Å; F603-F647 HydrophobicContact CD2-CE1 4.37Å; F603-F647 HydrophobicContact CD2-CG 4.28Å
604	E	94.1	Very high	92.9	Very high	14 Å²	14	65 Å²	65	7%	0.065	33%	0.327	C	S	.	.	H	α-helix	trans	-54.2	-47.9	-178.5	-179.4	-172.1	154.9	0	0	111.9	K290 M575 V583 I600 K602 F607 L608	K290-E604 IonicContact NZ-OE1 3Å; K290-E604 PolarHBondContact NZ-OE1 2.86Å; K290-E604 IonicContact NZ-OE2 2.79Å; K290-E604 PolarHBondContact NZ-OE2 2.92Å; M575-E604 WeakPolarHBondContact CE-OE1 3.33Å; V583-E604 HydrophobicContact CG1-CG 3.97Å; V583-E604 HydrophobicContact CG2-CG 4.21Å; I600-E604 PolarHBondContact O-N 2.81Å; K602-E604 VanDerWaalsContact C-N 3.34Å; K602-E604 PolarHBondContact O-N 2.83Å; E604-F607 PolarHBondContact O-N 3.31Å; E604-L608 HydrophobicContact CG-CD1 3.86Å; E604-L608 HydrophobicContact CG-CG 4.48Å; E604-L608 VanDerWaalsContact O-CB 3.29Å; E604-L608 WeakPolarHBondContact O-CB 3.4Å; E604-L608 VanDerWaalsContact O-CG 3.25Å; E604-L608 WeakPolarHBondContact O-CG 3.47Å; E604-L608 PolarHBondContact O-N 2.85Å
605	K	93.6	Very high	93	Very high	137 Å²	137	57.8 Å²	57.8	60%	0.596	30%	0.296	S	S	*	.	H	α-helix	trans	-64.7	-45.7	-178.6	-68.9	179.2	-179.3	-175.2	0	111.9	T601 K602 F603 Q609	T601-K605 WeakPolarHBondContact O-CG 3.47Å; K602-K605 PolarHBondContact O-N 3.29Å; F603-K605 VanDerWaalsContact C-N 3.32Å; F603-K605 PolarHBondContact O-N 2.99Å; K605-Q609 WeakPolarHBondContact O-CB 3.33Å; K605-Q609 VanDerWaalsContact O-CG 3.3Å; K605-Q609 WeakPolarHBondContact O-CG 3.49Å; K605-Q609 PolarHBondContact O-N 3.46Å
606	A	94.8	Very high	93.1	Very high	30 Å²	30	62.6 Å²	62.6	25%	0.248	32%	0.318	C	S	.	.	H	α-helix	trans	-69.5	-38.5	-179.9	0	0	0	0	0	112	K602 F603 Q609 H610 F643 F647	K602-A606 PolarHBondContact O-N 2.83Å; K602-A606 VanDerWaalsContact O-N 3.11Å; F603-A606 PolarHBondContact O-N 3.05Å; A606-Q609 PolarHBondContact O-N 3.08Å; A606-H610 WeakPolarHBondContact O-CB 3.48Å; A606-H610 PolarHBondContact O-N 2.92Å; A606-F643 HydrophobicContact CB-CZ 3.76Å; A606-F647 HydrophobicContact CB-CD2 4.35Å; A606-F647 HydrophobicContact CB-CE2 3.93Å
607	F	94.5	Very high	93	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-67.5	-42	176.8	-179	-115.9	0	0	0	112	F603 E604 H610 I611 I639 V640 F643	F603-F607 HydrophobicContact CD1-CB 4.43Å; F603-F607 HydrophobicContact CE1-CB 4.02Å; F603-F607 HydrophobicContact CE1-CD1 4.03Å; F603-F607 HydrophobicContact CE1-CG 4.02Å; F603-F607 HydrophobicContact CE2-CB 4.23Å; F603-F607 HydrophobicContact CE2-CD2 4.41Å; F603-F607 HydrophobicContact CE2-CG 4.35Å; F603-F607 HydrophobicContact CZ-CB 3.91Å; F603-F607 HydrophobicContact CZ-CD1 4.05Å; F603-F607 AromaticContact CZ-CD2 3.98Å; F603-F607 HydrophobicContact CZ-CD2 3.98Å; F603-F607 AromaticContact CZ-CG 3.72Å; F603-F607 HydrophobicContact CZ-CG 3.72Å; F603-F607 WeakPolarHBondContact O-CB 3.48Å; F603-F607 PolarHBondContact O-N 2.88Å; E604-F607 PolarHBondContact O-N 3.31Å; F607-H610 PolarHBondContact O-N 2.93Å; F607-I611 HydrophobicContact CD1-CD1 4.29Å; F607-I611 HydrophobicContact CD2-CD1 4.41Å; F607-I611 HydrophobicContact CE1-CD1 3.63Å; F607-I611 HydrophobicContact CE2-CD1 3.77Å; F607-I611 HydrophobicContact CE2-CG1 4.23Å; F607-I611 HydrophobicContact CZ-CD1 3.33Å; F607-I611 HydrophobicContact CZ-CG1 4.27Å; F607-I611 PolarHBondContact O-N 3.41Å; F607-I639 HydrophobicContact CE2-CG2 4.28Å; F607-V640 HydrophobicContact CE1-CG2 4.43Å; F607-V640 HydrophobicContact CE2-CG2 3.88Å; F607-V640 HydrophobicContact CZ-CG2 3.45Å; F607-V640 VanDerWaalsContact CZ-CG2 3.45Å; F607-F643 HydrophobicContact CB-CD1 4.15Å; F607-F643 HydrophobicContact CB-CE1 3.78Å; F607-F643 HydrophobicContact CB-CZ 4.24Å; F607-F643 HydrophobicContact CD2-CB 4.26Å; F607-F643 AromaticContact CD2-CD1 3.69Å; F607-F643 HydrophobicContact CD2-CD1 3.69Å; F607-F643 HydrophobicContact CD2-CE1 4.2Å; F607-F643 AromaticContact CD2-CG 3.92Å; F607-F643 HydrophobicContact CD2-CG 3.92Å; F607-F643 HydrophobicContact CG-CD1 4.37Å; F607-F643 HydrophobicContact CG-CE1 4.48Å
608	L	93.2	Very high	93	Very high	25 Å²	25	63.2 Å²	63.2	13%	0.131	32%	0.323	C	S	.	.	H	α-helix	trans	-61.1	-45.6	171.2	-78.2	168.5	0	0	0	111.4	M575 E579 V583 E604 H610 I611 L612	M575-L608 HydrophobicContact CE-CD1 3.58Å; M575-L608 HydrophobicContact SD-CD1 4.45Å; M575-L608 HydrophobicContact SD-CD2 4.45Å; E579-L608 HydrophobicContact CB-CD2 4.08Å; V583-L608 HydrophobicContact CG2-CD1 4.15Å; V583-L608 HydrophobicContact CG2-CD2 3.6Å; V583-L608 HydrophobicContact CG2-CG 3.78Å; E604-L608 HydrophobicContact CG-CD1 3.86Å; E604-L608 HydrophobicContact CG-CG 4.48Å; E604-L608 VanDerWaalsContact O-CB 3.29Å; E604-L608 WeakPolarHBondContact O-CB 3.4Å; E604-L608 VanDerWaalsContact O-CG 3.25Å; E604-L608 WeakPolarHBondContact O-CG 3.47Å; E604-L608 PolarHBondContact O-N 2.85Å; L608-H610 VanDerWaalsContact C-N 3.34Å; L608-H610 PolarHBondContact O-N 3.48Å; L608-I611 PolarHBondContact O-N 3.11Å; L608-L612 VanDerWaalsContact O-CB 3.25Å; L608-L612 WeakPolarHBondContact O-CB 3.27Å; L608-L612 VanDerWaalsContact O-CG 3.23Å; L608-L612 WeakPolarHBondContact O-CG 3.25Å; L608-L612 PolarHBondContact O-N 3.33Å
609	Q	93.6	Very high	92.9	Very high	138 Å²	138	60.6 Å²	60.6	65%	0.645	30%	0.303	S	S	*	.	H	α-helix	trans	-60.4	-41.9	175.7	-76.5	174.1	-25	0	0	112.1	K605 A606 S613	K605-Q609 WeakPolarHBondContact O-CB 3.33Å; K605-Q609 VanDerWaalsContact O-CG 3.3Å; K605-Q609 WeakPolarHBondContact O-CG 3.49Å; K605-Q609 PolarHBondContact O-N 3.46Å; A606-Q609 PolarHBondContact O-N 3.08Å; Q609-S613 WeakPolarHBondContact O-CB 3.2Å; Q609-S613 PolarHBondContact O-N 3.37Å; Q609-S613 VanDerWaalsContact O-N 3.1Å; Q609-S613 PolarHBondContact O-OG 2.92Å
610	H	93.4	Very high	92.8	Very high	39 Å²	39	60.3 Å²	60.3	18%	0.181	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-48.7	175.3	174	76.8	0	0	0	112.1	A606 F607 L608 S613 Q614 F643	A606-H610 WeakPolarHBondContact O-CB 3.48Å; A606-H610 PolarHBondContact O-N 2.92Å; F607-H610 PolarHBondContact O-N 2.93Å; L608-H610 VanDerWaalsContact C-N 3.34Å; L608-H610 PolarHBondContact O-N 3.48Å; H610-S613 PolarHBondContact O-N 3.39Å; H610-S613 PolarHBondContact O-OG 3.01Å; H610-Q614 PolarHBondContact CE1-OE1 2.83Å; H610-Q614 PolarHBondContact ND1-OE1 3Å; H610-Q614 WeakPolarHBondContact O-CB 3.42Å; H610-Q614 PolarHBondContact O-N 3.28Å; H610-F643 HydrophobicContact CB-CD2 3.81Å; H610-F643 HydrophobicContact CB-CE2 3.64Å; H610-F643 AromaticContact CD2-CD2 3.77Å; H610-F643 AromaticContact CG-CD2 3.61Å; H610-F643 AromaticContact CG-CE2 3.94Å
611	I	92.4	Very high	92.6	Very high	5 Å²	5	62.2 Å²	62.2	3%	0.026	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-44.3	178.9	-73	-174.7	0	0	0	111.6	A582 F607 L608 S613 Q615 L619 I639	A582-I611 HydrophobicContact CB-CD1 3.88Å; F607-I611 HydrophobicContact CD1-CD1 4.29Å; F607-I611 HydrophobicContact CD2-CD1 4.41Å; F607-I611 HydrophobicContact CE1-CD1 3.63Å; F607-I611 HydrophobicContact CE2-CD1 3.77Å; F607-I611 HydrophobicContact CE2-CG1 4.23Å; F607-I611 HydrophobicContact CZ-CD1 3.33Å; F607-I611 HydrophobicContact CZ-CG1 4.27Å; F607-I611 PolarHBondContact O-N 3.41Å; L608-I611 PolarHBondContact O-N 3.11Å; I611-S613 PolarHBondContact O-N 3.06Å; I611-Q615 HydrophobicContact CB-CB 4.43Å; I611-Q615 HydrophobicContact CG1-CB 4.44Å; I611-Q615 HydrophobicContact CG2-CB 4.2Å; I611-Q615 CarbonylContact O-C 3.47Å; I611-Q615 WeakPolarHBondContact O-CA 3.48Å; I611-Q615 PolarHBondContact O-N 3.04Å; I611-L619 HydrophobicContact CG2-CD1 3.7Å; I611-L619 HydrophobicContact CG2-CD2 3.83Å; I611-L619 HydrophobicContact CG2-CG 3.64Å; I611-I639 HydrophobicContact CD1-CG2 4.48Å; I611-I639 HydrophobicContact CG1-CG2 4.27Å
612	L	91.7	Very high	92.6	Very high	72 Å²	72	60 Å²	60	38%	0.377	32%	0.315	S	S	.	.	H	α-helix	trans	-66.7	-22	180	-72.5	168.1	0	0	0	113.5	E579 L608 Q616 L619	E579-L612 HydrophobicContact CG-CD2 4.24Å; L608-L612 VanDerWaalsContact O-CB 3.25Å; L608-L612 WeakPolarHBondContact O-CB 3.27Å; L608-L612 VanDerWaalsContact O-CG 3.23Å; L608-L612 WeakPolarHBondContact O-CG 3.25Å; L608-L612 PolarHBondContact O-N 3.33Å; L612-Q616 WeakPolarHBondContact O-CG 3.08Å; L612-Q616 PolarHBondContact O-NE2 2.89Å; L612-L619 HydrophobicContact CD2-CD1 3.79Å
613	S	92.9	Very high	92.3	Very high	79 Å²	79	59.3 Å²	59.3	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-98.7	-34	178.1	55.4	0	0	0	0	114.1	Q609 H610 I611	Q609-S613 WeakPolarHBondContact O-CB 3.2Å; Q609-S613 PolarHBondContact O-N 3.37Å; Q609-S613 VanDerWaalsContact O-N 3.1Å; Q609-S613 PolarHBondContact O-OG 2.92Å; H610-S613 PolarHBondContact O-N 3.39Å; H610-S613 PolarHBondContact O-OG 3.01Å; I611-S613 PolarHBondContact O-N 3.06Å
614	Q	91.8	Very high	92	Very high	127 Å²	127	63.5 Å²	63.5	59%	0.593	35%	0.346	S	S	*	.	H	α-helix	trans	-117.2	-13.1	-170.8	-58.1	-173.9	9.5	0	0	114.8	H610	H610-Q614 PolarHBondContact CE1-OE1 2.83Å; H610-Q614 PolarHBondContact ND1-OE1 3Å; H610-Q614 WeakPolarHBondContact O-CB 3.42Å; H610-Q614 PolarHBondContact O-N 3.28Å
615	Q	91.4	Very high	91.7	Very high	56 Å²	56	66.8 Å²	66.8	26%	0.262	36%	0.364	S	S	.	.			trans	-130.9	31.6	-170.2	-54.9	-63.5	-30.4	0	0	112.7	I611 D617 L618 L619 I639	I611-Q615 HydrophobicContact CB-CB 4.43Å; I611-Q615 HydrophobicContact CG1-CB 4.44Å; I611-Q615 HydrophobicContact CG2-CB 4.2Å; I611-Q615 CarbonylContact O-C 3.47Å; I611-Q615 WeakPolarHBondContact O-CA 3.48Å; I611-Q615 PolarHBondContact O-N 3.04Å; Q615-D617 VanDerWaalsContact C-N 3.3Å; Q615-D617 PolarHBondContact O-N 3.44Å; Q615-L618 WeakPolarHBondContact O-CB 2.88Å; Q615-L618 PolarHBondContact O-N 2.9Å; Q615-L618 VanDerWaalsContact O-N 3.1Å; Q615-L619 PolarHBondContact O-N 2.88Å; Q615-I639 HydrophobicContact CB-CD1 4.4Å; Q615-I639 HydrophobicContact CG-CD1 3.86Å; Q615-I639 HydrophobicContact CG-CG1 4.31Å; Q615-I639 HydrophobicContact CG-CG2 4.25Å
616	Q	91.6	Very high	91.3	Very high	125 Å²	125	61.4 Å²	61.4	58%	0.584	35%	0.348	S	S	*	.	H	α-helix	trans	-58.8	-38	-178.4	-65.6	-170.1	0.6	0	0	112.8	L612 L618 L619 A620	L612-Q616 WeakPolarHBondContact O-CG 3.08Å; L612-Q616 PolarHBondContact O-NE2 2.89Å; Q616-L618 PolarHBondContact O-N 3.2Å; Q616-L619 PolarHBondContact O-N 3.01Å; Q616-A620 WeakPolarHBondContact O-CB 3.45Å; Q616-A620 PolarHBondContact O-N 2.9Å
617	D	91.6	Very high	91.2	Very high	144 Å²	144	64.3 Å²	64.3	77%	0.77	35%	0.354	S	S	*	.	H	α-helix	trans	-58.2	-35.5	176.6	-63.1	-23.9	0	0	0	112.8	Q615 A621	Q615-D617 VanDerWaalsContact C-N 3.3Å; Q615-D617 PolarHBondContact O-N 3.44Å; D617-A621 VanDerWaalsContact O-CB 3.32Å; D617-A621 WeakPolarHBondContact O-CB 3.43Å; D617-A621 PolarHBondContact O-N 3.09Å
618	L	90.6	Very high	91	Very high	13 Å²	13	64.8 Å²	64.8	7%	0.068	36%	0.357	C	S	.	.	H	α-helix	trans	-73.5	-40.3	179.3	-178.4	58.8	0	0	0	111.3	Q615 Q616 A621 I622 K635 L636 I639	Q615-L618 WeakPolarHBondContact O-CB 2.88Å; Q615-L618 PolarHBondContact O-N 2.9Å; Q615-L618 VanDerWaalsContact O-N 3.1Å; Q616-L618 PolarHBondContact O-N 3.2Å; L618-A621 PolarHBondContact O-N 3.24Å; L618-I622 HydrophobicContact CD1-CD1 4.21Å; L618-I622 HydrophobicContact CG-CD1 4.12Å; L618-I622 WeakPolarHBondContact O-CD1 3.37Å; L618-I622 VanDerWaalsContact O-CG1 3.25Å; L618-I622 WeakPolarHBondContact O-CG1 3.31Å; L618-I622 PolarHBondContact O-N 3.13Å; L618-K635 HydrophobicContact CD1-CB 4.3Å; L618-K635 HydrophobicContact CD2-CB 4.2Å; L618-L636 HydrophobicContact CD2-CD2 3.8Å; L618-L636 HydrophobicContact CD2-CG 4.01Å; L618-L636 HydrophobicContact CG-CD2 4.44Å; L618-I639 HydrophobicContact CD2-CD1 3.36Å
619	L	91.3	Very high	90.9	Very high	16 Å²	16	65.1 Å²	65.1	8%	0.084	36%	0.362	C	S	.	.	H	α-helix	trans	-62.7	-44.8	171.4	-71.8	-175.9	0	0	0	111.4	E578 I611 L612 Q615 Q616 A621 I622 K623	E578-L619 HydrophobicContact CB-CB 4.47Å; E578-L619 HydrophobicContact CB-CD2 3.93Å; E578-L619 HydrophobicContact CG-CB 4.15Å; E578-L619 HydrophobicContact CG-CD2 4.04Å; E578-L619 WeakPolarHBondContact O-CD2 3.46Å; I611-L619 HydrophobicContact CG2-CD1 3.7Å; I611-L619 HydrophobicContact CG2-CD2 3.83Å; I611-L619 HydrophobicContact CG2-CG 3.64Å; L612-L619 HydrophobicContact CD2-CD1 3.79Å; Q615-L619 PolarHBondContact O-N 2.88Å; Q616-L619 PolarHBondContact O-N 3.01Å; L619-A621 PolarHBondContact O-N 3.14Å; L619-I622 PolarHBondContact O-N 3.19Å; L619-K623 VanDerWaalsContact O-CB 3.27Å; L619-K623 WeakPolarHBondContact O-CB 3.33Å; L619-K623 PolarHBondContact O-N 2.83Å
620	A	91.1	Very high	90.8	Very high	56 Å²	56	67.1 Å²	67.1	46%	0.463	37%	0.371	S	S	.	.	H	α-helix	trans	-61	-43.6	177.1	0	0	0	0	0	111.8	Q616 K623 A624	Q616-A620 WeakPolarHBondContact O-CB 3.45Å; Q616-A620 PolarHBondContact O-N 2.9Å; A620-K623 PolarHBondContact O-N 2.6Å; A620-A624 WeakPolarHBondContact O-CB 3.38Å; A620-A624 PolarHBondContact O-N 2.86Å
621	A	91.2	Very high	90.7	Very high	39 Å²	39	68.4 Å²	68.4	32%	0.322	39%	0.388	S	S	.	.	H	α-helix	trans	-60.9	-50.1	174.4	0	0	0	0	0	111.9	D617 L618 L619 K623 A624 D625	D617-A621 VanDerWaalsContact O-CB 3.32Å; D617-A621 WeakPolarHBondContact O-CB 3.43Å; D617-A621 PolarHBondContact O-N 3.09Å; L618-A621 PolarHBondContact O-N 3.24Å; L619-A621 PolarHBondContact O-N 3.14Å; A621-K623 VanDerWaalsContact C-N 3.26Å; A621-K623 PolarHBondContact O-N 2.78Å; A621-A624 PolarHBondContact O-N 2.85Å; A621-D625 WeakPolarHBondContact O-CB 3.29Å; A621-D625 PolarHBondContact O-N 3.36Å
622	I	90.3	Very high	90.6	Very high	4 Å²	4	68.5 Å²	68.5	2%	0.021	39%	0.389	C	S	.	.	H	α-helix	trans	-59	-38.7	178.1	-69.6	164.3	0	0	0	111.3	A521 E578 V581 L618 L619 G626 L636	A521-I622 HydrophobicContact CB-CG2 4.24Å; E578-I622 HydrophobicContact CB-CG2 4.21Å; V581-I622 HydrophobicContact CG1-CG2 4.4Å; L618-I622 HydrophobicContact CD1-CD1 4.21Å; L618-I622 HydrophobicContact CG-CD1 4.12Å; L618-I622 WeakPolarHBondContact O-CD1 3.37Å; L618-I622 VanDerWaalsContact O-CG1 3.25Å; L618-I622 WeakPolarHBondContact O-CG1 3.31Å; L618-I622 PolarHBondContact O-N 3.13Å; L619-I622 PolarHBondContact O-N 3.19Å; I622-G626 WeakPolarHBondContact O-CA 3.47Å; I622-G626 PolarHBondContact O-N 2.78Å; I622-L636 HydrophobicContact CD1-CD1 4.08Å; I622-L636 HydrophobicContact CD1-CD2 4.36Å; I622-L636 HydrophobicContact CD1-CG 4.46Å
623	K	89	Confident	90.6	Very high	127 Å²	127	67 Å²	67	55%	0.552	38%	0.381	S	S	*	.	H	α-helix	trans	-68.5	-40.6	178	-169.9	-178.6	-158.9	147.3	0	113	E578 L619 A620 A621	E578-K623 HydrophobicContact CB-CB 4.47Å; E578-K623 VanDerWaalsContact OE1-CD 3.27Å; E578-K623 WeakPolarHBondContact OE1-CD 3.4Å; E578-K623 WeakPolarHBondContact OE1-CE 3.33Å; E578-K623 IonicContact OE1-NZ 2.72Å; E578-K623 PolarHBondContact OE1-NZ 3.31Å; L619-K623 VanDerWaalsContact O-CB 3.27Å; L619-K623 WeakPolarHBondContact O-CB 3.33Å; L619-K623 PolarHBondContact O-N 2.83Å; A620-K623 PolarHBondContact O-N 2.6Å; A621-K623 VanDerWaalsContact C-N 3.26Å; A621-K623 PolarHBondContact O-N 2.78Å
624	A	88.4	Confident	90.7	Very high	87 Å²	87	65.4 Å²	65.4	72%	0.719	37%	0.374	S	S	*	.	H	α-helix	trans	-75.1	-46.5	179.8	0	0	0	0	0	112.5	A620 A621 G626	A620-A624 WeakPolarHBondContact O-CB 3.38Å; A620-A624 PolarHBondContact O-N 2.86Å; A621-A624 PolarHBondContact O-N 2.85Å; A624-G626 VanDerWaalsContact C-N 3.34Å
625	D	86.9	Confident	90.7	Very high	83 Å²	83	65.2 Å²	65.2	44%	0.444	37%	0.371	S	S	.	.	H	α-helix	trans	-69.8	-31.2	178.8	-96.8	21.7	0	0	0	112.4	A621 K627	A621-D625 WeakPolarHBondContact O-CB 3.29Å; A621-D625 PolarHBondContact O-N 3.36Å; D625-K627 HydrophobicContact CB-CG 3.8Å; D625-K627 PolarHBondContact O-N 2.96Å; D625-K627 VanDerWaalsContact O-N 3.1Å; D625-K627 WeakPolarHBondContact OD2-CE 3.48Å; D625-K627 IonicContact OD2-NZ 3.12Å
626	G	86.6	Confident	90.8	Very high	25 Å²	25	62.6 Å²	62.6	26%	0.258	36%	0.359	S	S	.	.	S	Bend	trans	65.8	5.6	-173.7	0	0	0	0	0	114.7	R520 A521 I622 A624	R520-G626 CarbonylContact C-O 3.38Å; R520-G626 WeakPolarHBondContact CA-O 3.16Å; R520-G626 WeakPolarHBondContact CB-O 3.4Å; R520-G626 PolarHBondContact N-O 3.3Å; R520-G626 VanDerWaalsContact N-O 3.13Å; A521-G626 PolarHBondContact N-O 2.86Å; I622-G626 WeakPolarHBondContact O-CA 3.47Å; I622-G626 PolarHBondContact O-N 2.78Å; A624-G626 VanDerWaalsContact C-N 3.34Å
627	K	91.1	Very high	90.9	Very high	90 Å²	90	61.6 Å²	61.6	39%	0.391	35%	0.352	S	S	.	.	S	Bend	trans	-134	160.5	179.2	58.7	169.8	-177.7	175.3	0	109.2	R520 D625	R520-K627 HydrophobicContact CB-CB 4.08Å; D625-K627 HydrophobicContact CB-CG 3.8Å; D625-K627 PolarHBondContact O-N 2.96Å; D625-K627 VanDerWaalsContact O-N 3.1Å; D625-K627 WeakPolarHBondContact OD2-CE 3.48Å; D625-K627 IonicContact OD2-NZ 3.12Å
628	I	90.7	Very high	91	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.051	34%	0.343	C	S	.	.			trans	-87.7	120.1	162.2	-56.2	-179.2	0	0	0	107.3	A521 Q524 V525 V581 Y585 D633 L636	A521-I628 HydrophobicContact CB-CG1 4.13Å; Q524-I628 PolarHBondContact NE2-O 3.02Å; V525-I628 HydrophobicContact CG1-CD1 3.46Å; V525-I628 VanDerWaalsContact CG1-CD1 3.46Å; V581-I628 HydrophobicContact CG1-CD1 3.79Å; V581-I628 HydrophobicContact CG1-CG1 4.21Å; Y585-I628 HydrophobicContact CD2-CD1 4.27Å; I628-D633 HydrophobicContact CG2-CB 3.85Å; I628-L636 HydrophobicContact CD1-CD1 4.23Å; I628-L636 HydrophobicContact CG2-CD1 4.37Å
629	S	91.9	Very high	91.1	Very high	33 Å²	33	60.7 Å²	60.7	23%	0.231	34%	0.343	C	S	.	.			trans	-81.2	163.2	169	80.2	0	0	0	0	111	A631 S632 D633	S629-A631 VanDerWaalsContact C-N 3.27Å; S629-A631 PolarHBondContact O-N 2.89Å; S629-A631 PolarHBondContact OG-N 3.1Å; S629-S632 CarbonylContact O-C 3.57Å; S629-S632 WeakPolarHBondContact O-CA 3.34Å; S629-S632 WeakPolarHBondContact O-CB 3.25Å; S629-S632 PolarHBondContact O-N 2.9Å; S629-S632 WeakPolarHBondContact OG-CB 3.39Å; S629-S632 PolarHBondContact OG-N 3.14Å; S629-S632 PolarHBondContact OG-OG 3.4Å; S629-D633 PolarHBondContact O-N 3.1Å
630	E	90.9	Very high	91.2	Very high	180 Å²	180	60 Å²	60	84%	0.841	34%	0.339	S	S	*	.	H	α-helix	trans	-59.5	-37.9	176.2	-65.3	175	-179	0	0	112.3	S632 D633 A634	E630-S632 VanDerWaalsContact C-N 3.34Å; E630-D633 PolarHBondContact O-N 2.78Å; E630-A634 WeakPolarHBondContact O-CB 3.35Å; E630-A634 PolarHBondContact O-N 2.87Å
631	A	90.8	Very high	91.3	Very high	65 Å²	65	61.2 Å²	61.2	54%	0.537	34%	0.338	S	S	.	.	H	α-helix	trans	-66.7	-34.7	173.2	0	0	0	0	0	112.4	S629 K635	S629-A631 VanDerWaalsContact C-N 3.27Å; S629-A631 PolarHBondContact O-N 2.89Å; S629-A631 PolarHBondContact OG-N 3.1Å; A631-K635 WeakPolarHBondContact O-CB 3.48Å; A631-K635 VanDerWaalsContact O-CG 3.31Å; A631-K635 WeakPolarHBondContact O-CG 3.46Å; A631-K635 PolarHBondContact O-N 3.25Å; A631-K635 VanDerWaalsContact O-N 3.11Å
632	S	90.6	Very high	91.4	Very high	8 Å²	8	64.5 Å²	64.5	6%	0.056	35%	0.35	C	S	.	.	H	α-helix	trans	-70.6	-40.6	174.8	-51.1	0	0	0	0	111.8	S629 E630 K635 L636	S629-S632 CarbonylContact O-C 3.57Å; S629-S632 WeakPolarHBondContact O-CA 3.34Å; S629-S632 WeakPolarHBondContact O-CB 3.25Å; S629-S632 PolarHBondContact O-N 2.9Å; S629-S632 WeakPolarHBondContact OG-CB 3.39Å; S629-S632 PolarHBondContact OG-N 3.14Å; S629-S632 PolarHBondContact OG-OG 3.4Å; E630-S632 VanDerWaalsContact C-N 3.34Å; S632-K635 PolarHBondContact O-N 2.85Å; S632-L636 WeakPolarHBondContact O-CB 3.25Å; S632-L636 VanDerWaalsContact O-CG 3.29Å; S632-L636 WeakPolarHBondContact O-CG 3.34Å; S632-L636 PolarHBondContact O-N 2.75Å
633	D	92.6	Very high	91.6	Very high	39 Å²	39	65.3 Å²	65.3	21%	0.209	35%	0.354	C	S	.	.	H	α-helix	trans	-63.4	-48.2	176.4	-170.9	101.6	0	0	0	110.7	Y585 R589 I628 S629 E630 K635 L636 K637	Y585-D633 VanDerWaalsContact CE2-OD1 3.28Å; Y585-D633 WeakPolarHBondContact CE2-OD1 3.45Å; Y585-D633 VanDerWaalsContact OH-CG 3.3Å; Y585-D633 PolarHBondContact OH-O 3.32Å; Y585-D633 PolarHBondContact OH-OD1 2.91Å; Y585-D633 PolarHBondContact OH-OD2 3.34Å; R589-D633 IonicContact CZ-OD1 2.71Å; R589-D633 IonicContact NE-OD1 2.86Å; R589-D633 IonicContact NH2-OD1 2.73Å; R589-D633 PolarHBondContact NH2-OD1 2.96Å; I628-D633 HydrophobicContact CG2-CB 3.85Å; S629-D633 PolarHBondContact O-N 3.1Å; E630-D633 PolarHBondContact O-N 2.78Å; D633-K635 PolarHBondContact O-N 3.29Å; D633-L636 PolarHBondContact O-N 2.82Å; D633-K637 WeakPolarHBondContact O-CB 3.44Å; D633-K637 PolarHBondContact O-N 3.3Å
634	A	93.5	Very high	91.7	Very high	47 Å²	47	61.2 Å²	61.2	39%	0.388	34%	0.337	S	S	.	.	H	α-helix	trans	-59.3	-44.1	176.5	0	0	0	0	0	112.4	E630 Q638	E630-A634 WeakPolarHBondContact O-CB 3.35Å; E630-A634 PolarHBondContact O-N 2.87Å; A634-Q638 WeakPolarHBondContact O-CG 3.43Å; A634-Q638 PolarHBondContact O-N 2.9Å
635	K	93.2	Very high	91.7	Very high	122 Å²	122	62 Å²	62	53%	0.53	34%	0.338	S	S	.	.	H	α-helix	trans	-64.8	-48.7	175.1	-77	-178.5	175.7	-170.2	0	112.2	L618 A631 S632 D633 K637 Q638 I639	L618-K635 HydrophobicContact CD1-CB 4.3Å; L618-K635 HydrophobicContact CD2-CB 4.2Å; A631-K635 WeakPolarHBondContact O-CB 3.48Å; A631-K635 VanDerWaalsContact O-CG 3.31Å; A631-K635 WeakPolarHBondContact O-CG 3.46Å; A631-K635 PolarHBondContact O-N 3.25Å; A631-K635 VanDerWaalsContact O-N 3.11Å; S632-K635 PolarHBondContact O-N 2.85Å; D633-K635 PolarHBondContact O-N 3.29Å; K635-K637 VanDerWaalsContact C-N 3.3Å; K635-K637 PolarHBondContact O-N 3.16Å; K635-Q638 PolarHBondContact O-N 2.96Å; K635-I639 WeakPolarHBondContact O-CD1 3.49Å; K635-I639 VanDerWaalsContact O-CG1 3.29Å; K635-I639 WeakPolarHBondContact O-CG1 3.39Å; K635-I639 PolarHBondContact O-N 2.74Å
636	L	92.4	Very high	91.7	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-54.9	-46.8	176.3	-79.9	171.3	0	0	0	111.2	A582 Y585 L618 I622 I628 S632 D633 Q638 I639 V640	A582-L636 HydrophobicContact CB-CD2 4.2Å; Y585-L636 HydrophobicContact CD1-CB 4.2Å; Y585-L636 HydrophobicContact CD2-CD1 4.19Å; Y585-L636 HydrophobicContact CE1-CB 3.95Å; Y585-L636 HydrophobicContact CE2-CD1 4.4Å; Y585-L636 HydrophobicContact CG-CD1 4.35Å; L618-L636 HydrophobicContact CD2-CD2 3.8Å; L618-L636 HydrophobicContact CD2-CG 4.01Å; L618-L636 HydrophobicContact CG-CD2 4.44Å; I622-L636 HydrophobicContact CD1-CD1 4.08Å; I622-L636 HydrophobicContact CD1-CD2 4.36Å; I622-L636 HydrophobicContact CD1-CG 4.46Å; I628-L636 HydrophobicContact CD1-CD1 4.23Å; I628-L636 HydrophobicContact CG2-CD1 4.37Å; S632-L636 WeakPolarHBondContact O-CB 3.25Å; S632-L636 VanDerWaalsContact O-CG 3.29Å; S632-L636 WeakPolarHBondContact O-CG 3.34Å; S632-L636 PolarHBondContact O-N 2.75Å; D633-L636 PolarHBondContact O-N 2.82Å; L636-Q638 PolarHBondContact O-N 3.14Å; L636-I639 PolarHBondContact O-N 2.85Å; L636-V640 WeakPolarHBondContact O-CB 3.43Å; L636-V640 VanDerWaalsContact O-CG2 3.25Å; L636-V640 WeakPolarHBondContact O-CG2 3.49Å; L636-V640 PolarHBondContact O-N 3.28Å
637	K	94.1	Very high	91.7	Very high	103 Å²	103	63.2 Å²	63.2	45%	0.448	34%	0.343	S	S	.	.	H	α-helix	trans	-59.7	-45.1	177.5	-174.7	177.8	177.5	-177.8	0	112.5	D633 K635 L641	D633-K637 WeakPolarHBondContact O-CB 3.44Å; D633-K637 PolarHBondContact O-N 3.3Å; K635-K637 VanDerWaalsContact C-N 3.3Å; K635-K637 PolarHBondContact O-N 3.16Å; K637-L641 HydrophobicContact CG-CD1 3.99Å; K637-L641 WeakPolarHBondContact O-CB 3.35Å; K637-L641 VanDerWaalsContact O-CG 3.24Å; K637-L641 WeakPolarHBondContact O-CG 3.29Å; K637-L641 PolarHBondContact O-N 3.35Å
638	Q	93.8	Very high	90.5	Very high	124 Å²	124	68.7 Å²	68.7	58%	0.579	37%	0.37	S	S	*	.	H	α-helix	trans	-63.2	-46.5	176.2	-75.4	176.3	-19.3	0	0	111.7	A634 K635 L636 L641 N642	A634-Q638 WeakPolarHBondContact O-CG 3.43Å; A634-Q638 PolarHBondContact O-N 2.9Å; K635-Q638 PolarHBondContact O-N 2.96Å; L636-Q638 PolarHBondContact O-N 3.14Å; Q638-L641 PolarHBondContact O-N 3.23Å; Q638-N642 VanDerWaalsContact O-CB 3.3Å; Q638-N642 WeakPolarHBondContact O-CB 3.32Å; Q638-N642 PolarHBondContact O-N 3.4Å; Q638-N642 PolarHBondContact O-OD1 2.9Å
639	I	93.6	Very high	90.5	Very high	15 Å²	15	71.7 Å²	71.7	8%	0.077	39%	0.386	C	S	.	.	H	α-helix	trans	-62.3	-45.8	179.9	-67.1	157.2	0	0	0	111	F607 I611 Q615 L618 K635 L636 F643	F607-I639 HydrophobicContact CE2-CG2 4.28Å; I611-I639 HydrophobicContact CD1-CG2 4.48Å; I611-I639 HydrophobicContact CG1-CG2 4.27Å; Q615-I639 HydrophobicContact CB-CD1 4.4Å; Q615-I639 HydrophobicContact CG-CD1 3.86Å; Q615-I639 HydrophobicContact CG-CG1 4.31Å; Q615-I639 HydrophobicContact CG-CG2 4.25Å; L618-I639 HydrophobicContact CD2-CD1 3.36Å; K635-I639 WeakPolarHBondContact O-CD1 3.49Å; K635-I639 VanDerWaalsContact O-CG1 3.29Å; K635-I639 WeakPolarHBondContact O-CG1 3.39Å; K635-I639 PolarHBondContact O-N 2.74Å; L636-I639 PolarHBondContact O-N 2.85Å; I639-F643 VanDerWaalsContact O-CB 3.23Å; I639-F643 WeakPolarHBondContact O-CB 3.41Å; I639-F643 PolarHBondContact O-N 3.49Å
640	V	93.6	Very high	90.4	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-60.1	-47.8	176.9	170.9	0	0	0	0	111.4	Y585 A586 H591 F607 L636 L644	Y585-V640 HydrophobicContact CD1-CG2 4.39Å; A586-V640 HydrophobicContact CB-CG1 4.16Å; A586-V640 HydrophobicContact CB-CG2 4.19Å; H591-V640 HydrophobicContact CB-CG1 3.52Å; F607-V640 HydrophobicContact CE1-CG2 4.43Å; F607-V640 HydrophobicContact CE2-CG2 3.88Å; F607-V640 HydrophobicContact CZ-CG2 3.45Å; F607-V640 VanDerWaalsContact CZ-CG2 3.45Å; L636-V640 WeakPolarHBondContact O-CB 3.43Å; L636-V640 VanDerWaalsContact O-CG2 3.25Å; L636-V640 WeakPolarHBondContact O-CG2 3.49Å; L636-V640 PolarHBondContact O-N 3.28Å; V640-L644 HydrophobicContact CG1-CD1 3.73Å; V640-L644 HydrophobicContact CG1-CG 4.46Å; V640-L644 VanDerWaalsContact O-CB 3.31Å; V640-L644 WeakPolarHBondContact O-CB 3.43Å; V640-L644 WeakPolarHBondContact O-CD1 3.21Å; V640-L644 VanDerWaalsContact O-CG 3.24Å; V640-L644 WeakPolarHBondContact O-CG 3.49Å; V640-L644 PolarHBondContact O-N 2.88Å
641	L	92.9	Very high	90.4	Very high	82 Å²	82	67.8 Å²	67.8	43%	0.429	37%	0.37	S	S	.	.	H	α-helix	trans	-68.5	-41.8	-178.3	-69.5	172.3	0	0	0	112.4	K637 Q638 L644 S645	K637-L641 HydrophobicContact CG-CD1 3.99Å; K637-L641 WeakPolarHBondContact O-CB 3.35Å; K637-L641 VanDerWaalsContact O-CG 3.24Å; K637-L641 WeakPolarHBondContact O-CG 3.29Å; K637-L641 PolarHBondContact O-N 3.35Å; Q638-L641 PolarHBondContact O-N 3.23Å; L641-L644 PolarHBondContact O-N 3.14Å; L641-S645 PolarHBondContact O-N 3.06Å
642	N	92.9	Very high	90.4	Very high	108 Å²	108	67.9 Å²	67.9	58%	0.578	36%	0.36	S	S	*	.	H	α-helix	trans	-63.5	-48	176.7	-69.2	-0.9	0	0	0	110.6	Q638 L644 S645 S646	Q638-N642 VanDerWaalsContact O-CB 3.3Å; Q638-N642 WeakPolarHBondContact O-CB 3.32Å; Q638-N642 PolarHBondContact O-N 3.4Å; Q638-N642 PolarHBondContact O-OD1 2.9Å; N642-L644 PolarHBondContact O-N 3.48Å; N642-S645 PolarHBondContact O-N 3.08Å; N642-S645 VanDerWaalsContact O-N 3.1Å; N642-S645 PolarHBondContact O-OG 3.43Å; N642-S646 PolarHBondContact O-N 3.25Å; N642-S646 PolarHBondContact O-OG 2.9Å
643	F	93.3	Very high	90.4	Very high	22 Å²	22	71.7 Å²	71.7	10%	0.096	38%	0.379	C	S	.	.	H	α-helix	trans	-62	-42.1	178.5	-175.4	-92.6	0	0	0	112	F603 A606 F607 H610 I639 S645 S646 F647	F603-F643 HydrophobicContact CD2-CD1 4.17Å; F603-F643 AromaticContact CD2-CE1 3.88Å; F603-F643 HydrophobicContact CD2-CE1 3.88Å; F603-F643 AromaticContact CE2-CD1 3.66Å; F603-F643 HydrophobicContact CE2-CD1 3.66Å; F603-F643 AromaticContact CE2-CE1 3.83Å; F603-F643 HydrophobicContact CE2-CE1 3.83Å; F603-F643 HydrophobicContact CZ-CD1 4.47Å; A606-F643 HydrophobicContact CB-CZ 3.76Å; F607-F643 HydrophobicContact CB-CD1 4.15Å; F607-F643 HydrophobicContact CB-CE1 3.78Å; F607-F643 HydrophobicContact CB-CZ 4.24Å; F607-F643 HydrophobicContact CD2-CB 4.26Å; F607-F643 AromaticContact CD2-CD1 3.69Å; F607-F643 HydrophobicContact CD2-CD1 3.69Å; F607-F643 HydrophobicContact CD2-CE1 4.2Å; F607-F643 AromaticContact CD2-CG 3.92Å; F607-F643 HydrophobicContact CD2-CG 3.92Å; F607-F643 HydrophobicContact CG-CD1 4.37Å; F607-F643 HydrophobicContact CG-CE1 4.48Å; H610-F643 HydrophobicContact CB-CD2 3.81Å; H610-F643 HydrophobicContact CB-CE2 3.64Å; H610-F643 AromaticContact CD2-CD2 3.77Å; H610-F643 AromaticContact CG-CD2 3.61Å; H610-F643 AromaticContact CG-CE2 3.94Å; I639-F643 VanDerWaalsContact O-CB 3.23Å; I639-F643 WeakPolarHBondContact O-CB 3.41Å; I639-F643 PolarHBondContact O-N 3.49Å; F643-S645 VanDerWaalsContact C-N 3.27Å; F643-S645 PolarHBondContact O-N 2.97Å; F643-S646 CarbonylContact O-C 3.57Å; F643-S646 PolarHBondContact O-N 2.76Å; F643-S646 PolarHBondContact O-OG 3.38Å; F643-F647 HydrophobicContact CD1-CB 4.39Å; F643-F647 HydrophobicContact CE1-CB 4.12Å; F643-F647 AromaticContact CE1-CD2 3.72Å; F643-F647 HydrophobicContact CE1-CD2 3.72Å; F643-F647 HydrophobicContact CE1-CG 4.1Å; F643-F647 AromaticContact CZ-CD2 3.9Å; F643-F647 HydrophobicContact CZ-CD2 3.9Å; F643-F647 WeakPolarHBondContact O-CB 3.48Å; F643-F647 PolarHBondContact O-N 3.33Å
644	L	91.4	Very high	90.2	Very high	40 Å²	40	73.9 Å²	73.9	21%	0.209	39%	0.39	C	S	.	.	H	α-helix	trans	-62.4	-29.8	174.1	-77.6	168.9	0	0	0	113.4	H591 L592 M595 F603 V640 L641 N642 S646	H591-L644 HydrophobicContact CB-CD1 3.86Å; H591-L644 WeakPolarHBondContact O-CD1 3.47Å; L592-L644 HydrophobicContact CD2-CD2 4.16Å; M595-L644 HydrophobicContact CE-CD2 3.54Å; F603-L644 HydrophobicContact CD2-CD2 3.87Å; F603-L644 HydrophobicContact CE2-CD2 3.46Å; F603-L644 VanDerWaalsContact CE2-CD2 3.46Å; F603-L644 HydrophobicContact CE2-CG 3.92Å; F603-L644 HydrophobicContact CZ-CD2 4.3Å; V640-L644 HydrophobicContact CG1-CD1 3.73Å; V640-L644 HydrophobicContact CG1-CG 4.46Å; V640-L644 VanDerWaalsContact O-CB 3.31Å; V640-L644 WeakPolarHBondContact O-CB 3.43Å; V640-L644 WeakPolarHBondContact O-CD1 3.21Å; V640-L644 VanDerWaalsContact O-CG 3.24Å; V640-L644 WeakPolarHBondContact O-CG 3.49Å; V640-L644 PolarHBondContact O-N 2.88Å; L641-L644 PolarHBondContact O-N 3.14Å; N642-L644 PolarHBondContact O-N 3.48Å; L644-S646 PolarHBondContact O-N 2.96Å
645	S	89.4	Confident	90	Very high	105 Å²	105	75.8 Å²	75.8	73%	0.734	39%	0.39	S	S	*	.	H	α-helix	trans	-72.1	-16.9	174.5	75.2	0	0	0	0	113.7	L641 N642 F643	L641-S645 PolarHBondContact O-N 3.06Å; N642-S645 PolarHBondContact O-N 3.08Å; N642-S645 VanDerWaalsContact O-N 3.1Å; N642-S645 PolarHBondContact O-OG 3.43Å; F643-S645 VanDerWaalsContact C-N 3.27Å; F643-S645 PolarHBondContact O-N 2.97Å
646	S	87	Confident	89.8	Confident	89 Å²	89	72.2 Å²	72.2	62%	0.622	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	7.3	178.7	57.6	0	0	0	0	114.2	N642 F643 L644	N642-S646 PolarHBondContact O-N 3.25Å; N642-S646 PolarHBondContact O-OG 2.9Å; F643-S646 CarbonylContact O-C 3.57Å; F643-S646 PolarHBondContact O-N 2.76Å; F643-S646 PolarHBondContact O-OG 3.38Å; L644-S646 PolarHBondContact O-N 2.96Å
647	F	86.2	Confident	89.5	Confident	43 Å²	43	78.1 Å²	78.1	19%	0.189	41%	0.41	C	S	.	.			trans	-116.5	120.9	-172.5	-177.6	-86.3	0	0	0	111.5	M595 K602 F603 A606 F643	M595-F647 HydrophobicContact CE-CD1 3.66Å; M595-F647 HydrophobicContact CE-CE1 3.78Å; M595-F647 HydrophobicContact SD-CE1 4.38Å; K602-F647 HydrophobicContact CB-CZ 4.21Å; F603-F647 HydrophobicContact CB-CD1 4.44Å; F603-F647 HydrophobicContact CB-CE1 3.81Å; F603-F647 HydrophobicContact CB-CE2 4.34Å; F603-F647 HydrophobicContact CB-CZ 3.77Å; F603-F647 HydrophobicContact CD2-CD1 4.17Å; F603-F647 HydrophobicContact CD2-CE1 4.37Å; F603-F647 HydrophobicContact CD2-CG 4.28Å; A606-F647 HydrophobicContact CB-CD2 4.35Å; A606-F647 HydrophobicContact CB-CE2 3.93Å; F643-F647 HydrophobicContact CD1-CB 4.39Å; F643-F647 HydrophobicContact CE1-CB 4.12Å; F643-F647 AromaticContact CE1-CD2 3.72Å; F643-F647 HydrophobicContact CE1-CD2 3.72Å; F643-F647 HydrophobicContact CE1-CG 4.1Å; F643-F647 AromaticContact CZ-CD2 3.9Å; F643-F647 HydrophobicContact CZ-CD2 3.9Å; F643-F647 WeakPolarHBondContact O-CB 3.48Å; F643-F647 PolarHBondContact O-N 3.33Å
648	E	66.2	Low	89.1	Confident	206 Å²	206	75.8 Å²	75.8	96%	0.963	41%	0.407	S	S	*	.			trans	-90.5	0	-174.2	-61.2	-172.2	153	0	0	114.9	K599	K599-E648 PolarHBondContact NZ-OXT 3.17Å

Retrieved 648 of 648 residues in 1008.2 ms (Link to these results)

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