A0A093HPM6_STRCA Loading...

DET1

AlphaFold DB , UniProt , Accession A0A093HPM6, Species STRCA (Struthio camelus australis), Gene n/a, Length 551 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.4	Very low	62.8	Low	232 Å²	232	158.9 Å²	158.9	100%	1.143	83%	0.825	S	S	*	*				0	91.3	0	-74.3	-157.7	-122.5	0	0	106	H3	M1-H3 PolarHBondContact O-N 3.22Å
2	D	45.2	Very low	64.2	Low	161 Å²	161	165.2 Å²	165.2	86%	0.861	83%	0.83	S	S	*	*			trans	-72.2	116.3	179.7	-68.8	-43.1	0	0	0	108.6	D4	D2-D4 PolarHBondContact O-N 3.1Å; D2-D4 VanDerWaalsContact O-N 3.14Å
3	H	52	Low	65.7	Low	188 Å²	188	158.9 Å²	158.9	87%	0.87	80%	0.8	S	S	*	*			trans	-72.4	102	169	-84.5	-66.1	0	0	0	107.9	M1 A5	M1-H3 PolarHBondContact O-N 3.22Å; H3-A5 VanDerWaalsContact C-N 3.32Å; H3-A5 PolarHBondContact O-N 3.02Å
4	D	59.7	Low	66.7	Low	163 Å²	163	156.1 Å²	156.1	87%	0.872	78%	0.782	S	S	*	*			trans	-54	95.7	164.1	-91.9	-29.9	0	0	0	109.2	D2	D2-D4 PolarHBondContact O-N 3.1Å; D2-D4 VanDerWaalsContact O-N 3.14Å
5	A	63	Low	67.7	Low	79 Å²	79	151.3 Å²	151.3	65%	0.653	76%	0.76	S	S	*	*			trans	-65.7	128.6	167.5	0	0	0	0	0	107.5	H3 T7	H3-A5 VanDerWaalsContact C-N 3.32Å; H3-A5 PolarHBondContact O-N 3.02Å; A5-T7 PolarHBondContact O-N 3.25Å
6	P	60.8	Low	68.6	Low	113 Å²	113	144.2 Å²	144.2	73%	0.734	72%	0.724	S	S	*	*			trans	-60	119.7	178.2	23	-31	0	0	0	109	I8	P6-I8 PolarHBondContact O-N 2.89Å
7	T	71.1	Confident	69.6	Low	147 Å²	147	140.4 Å²	140.4	90%	0.902	71%	0.706	S	S	*	*	S	Bend	trans	-62.5	-10.2	-177.2	18.8	0	0	0	0	113.4	A5	A5-T7 PolarHBondContact O-N 3.25Å
8	I	70.9	Confident	70.4	Confident	143 Å²	143	135.2 Å²	135.2	73%	0.733	68%	0.683	S	S	*	*	S	Bend	trans	-117.5	110.4	-179.4	-54.7	176.6	0	0	0	109.5	P6	P6-I8 PolarHBondContact O-N 2.89Å
9	R	75.8	Confident	71.3	Confident	231 Å²	231	134.3 Å²	134.3	87%	0.872	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-71.8	131.1	172.4	-67.2	-176.5	179.9	-173.7	-0.2	110	R11	R9-R11 PolarHBondContact O-N 3.35Å
10	P	73.1	Confident	71.9	Confident	126 Å²	126	132.1 Å²	132.1	82%	0.818	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-62.2	136.6	177.4	24.2	-31.6	0	0	0	110.7	R12	P10-R12 PolarHBondContact O-N 3.3Å
11	R	76.2	Confident	72.5	Confident	165 Å²	165	127.2 Å²	127.2	62%	0.623	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-66	126.2	-178.5	-175.4	-178.4	-177.5	177.4	3.9	110.1	R9 I13 R493 D494	R9-R11 PolarHBondContact O-N 3.35Å; R11-I13 PolarHBondContact O-N 3.34Å; R11-R493 VanDerWaalsContact CZ-O 3.32Å; R11-R493 PolarHBondContact NH1-O 3.06Å; R11-R493 PolarHBondContact NH2-O 2.73Å; R11-D494 PolarHBondContact NE-O 3.36Å; R11-D494 VanDerWaalsContact NH2-C 3.27Å; R11-D494 PolarHBondContact NH2-O 3.23Å
12	R	79.4	Confident	74.5	Confident	234 Å²	234	119.5 Å²	119.5	88%	0.883	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-73.9	116	173.3	-170.4	176	-178.8	-179.4	1.3	110.1	P10	P10-R12 PolarHBondContact O-N 3.3Å
13	I	83	Confident	76.4	Confident	84 Å²	84	115.5 Å²	115.5	43%	0.431	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-75.7	125.6	175.3	-61.3	172.6	0	0	0	108.7	R11 Q16	R11-I13 PolarHBondContact O-N 3.34Å; I13-Q16 HydrophobicContact CG2-CG 4.28Å
14	Q	79.6	Confident	77.8	Confident	119 Å²	119	113.4 Å²	113.4	56%	0.556	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-73	155.4	173.4	-64.1	-168.1	14.4	0	0	110.7	Q16	Q14-Q16 PolarHBondContact O-N 3.05Å; Q14-Q16 PolarHBondContact O-NE2 3.28Å
15	N	82.1	Confident	78.8	Confident	84 Å²	84	111.7 Å²	111.7	45%	0.449	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-53.5	124.5	177.9	-167.1	-9.6	0	0	0	111.1	N17 R21	N15-N17 VanDerWaalsContact OD1-CB 3.23Å; N15-N17 WeakPolarHBondContact OD1-CB 3.42Å; N15-N17 PolarHBondContact OD1-N 3.48Å; N15-R21 PolarHBondContact O-NE 3.5Å; N15-R21 VanDerWaalsContact O-NE 3.08Å
16	Q	82.4	Confident	79.6	Confident	38 Å²	38	117 Å²	117	18%	0.178	55%	0.547	C	S	.	.			trans	-94.4	-3.5	-178.2	-61	-63.3	-49.1	0	0	112.3	I13 Q14 V18 D494 L497	I13-Q16 HydrophobicContact CG2-CG 4.28Å; Q14-Q16 PolarHBondContact O-N 3.05Å; Q14-Q16 PolarHBondContact O-NE2 3.28Å; Q16-V18 PolarHBondContact O-N 3.26Å; Q16-D494 PolarHBondContact NE2-OD2 2.61Å; Q16-L497 HydrophobicContact CG-CD1 4.13Å
17	N	84.9	Confident	80.7	Confident	80 Å²	80	118.2 Å²	118.2	43%	0.428	55%	0.546	S	S	.	.			trans	-63.8	126.4	178.1	-173.9	-42.6	0	0	0	110.6	N15 I19 H20 R21	N15-N17 VanDerWaalsContact OD1-CB 3.23Å; N15-N17 WeakPolarHBondContact OD1-CB 3.42Å; N15-N17 PolarHBondContact OD1-N 3.48Å; N17-I19 PolarHBondContact O-N 3.34Å; N17-I19 WeakPolarHBondContact OD1-CB 3.39Å; N17-I19 PolarHBondContact OD1-N 3.5Å; N17-H20 HydrophobicContact CB-CB 4.11Å; N17-H20 PolarHBondContact O-N 2.98Å; N17-R21 WeakPolarHBondContact O-CG 3.43Å; N17-R21 PolarHBondContact O-N 3.07Å
18	V	85.1	Confident	80.9	Confident	47 Å²	47	114 Å²	114	29%	0.285	52%	0.522	S	S	.	.	H	α-helix	trans	-59.5	-44.8	-178	-171.7	0	0	0	0	111.4	Q16 H20 R21 L22 F42 N45	Q16-V18 PolarHBondContact O-N 3.26Å; V18-H20 PolarHBondContact O-N 2.91Å; V18-R21 PolarHBondContact O-N 2.87Å; V18-L22 HydrophobicContact CG1-CD1 4.32Å; V18-L22 WeakPolarHBondContact O-CG 3.5Å; V18-L22 PolarHBondContact O-N 3.08Å; V18-F42 HydrophobicContact CG1-CE1 3.75Å; V18-F42 HydrophobicContact CG1-CZ 3.44Å; V18-F42 VanDerWaalsContact CG1-CZ 3.44Å; V18-N45 HydrophobicContact CG1-CB 4.46Å; V18-N45 HydrophobicContact CG2-CB 3.8Å
19	I	86.4	Confident	80.8	Confident	117 Å²	117	112.1 Å²	112.1	60%	0.6	52%	0.522	S	S	*	.	H	α-helix	trans	-61.9	-47.6	-179.8	-58.8	174	0	0	0	109.7	N17 R21 L22 E23	N17-I19 PolarHBondContact O-N 3.34Å; N17-I19 WeakPolarHBondContact OD1-CB 3.39Å; N17-I19 PolarHBondContact OD1-N 3.5Å; I19-R21 VanDerWaalsContact C-N 3.28Å; I19-R21 PolarHBondContact O-N 3.37Å; I19-L22 PolarHBondContact O-N 3.23Å; I19-L22 VanDerWaalsContact O-N 3.14Å; I19-E23 HydrophobicContact CG2-CG 4.49Å; I19-E23 PolarHBondContact O-N 2.98Å
20	H	84.9	Confident	80.6	Confident	91 Å²	91	102.7 Å²	102.7	42%	0.421	50%	0.497	S	S	.	.	H	α-helix	trans	-60.4	-39	177.8	177.6	-86.2	0	0	0	112	N17 V18 R24	N17-H20 HydrophobicContact CB-CB 4.11Å; N17-H20 PolarHBondContact O-N 2.98Å; V18-H20 PolarHBondContact O-N 2.91Å; H20-R24 WeakPolarHBondContact O-CB 3.35Å; H20-R24 PolarHBondContact O-N 3.24Å
21	R	84.3	Confident	80.9	Confident	30 Å²	30	105 Å²	105	11%	0.113	49%	0.494	C	S	.	.	H	α-helix	trans	-69.2	-35.9	176.2	-71.7	178.6	172.4	-151.4	-15.7	112.3	N15 N17 V18 I19 R25 F42 N45 D494	N15-R21 PolarHBondContact O-NE 3.5Å; N15-R21 VanDerWaalsContact O-NE 3.08Å; N17-R21 WeakPolarHBondContact O-CG 3.43Å; N17-R21 PolarHBondContact O-N 3.07Å; V18-R21 PolarHBondContact O-N 2.87Å; I19-R21 VanDerWaalsContact C-N 3.28Å; I19-R21 PolarHBondContact O-N 3.37Å; R21-R25 PolarHBondContact O-N 3.3Å; R21-F42 HydrophobicContact CB-CD2 4.45Å; R21-F42 HydrophobicContact CB-CE2 3.83Å; R21-N45 WeakPolarHBondContact CD-ND2 3.42Å; R21-N45 WeakPolarHBondContact CD-OD1 3.46Å; R21-N45 PolarHBondContact NH1-ND2 3.29Å; R21-N45 PolarHBondContact NH1-OD1 3.36Å; R21-D494 IonicContact CZ-OD2 3.46Å; R21-D494 IonicContact NH1-OD2 2.77Å; R21-D494 IonicContact NH2-OD2 3.63Å; R21-D494 PolarHBondContact NH2-OD2 2.66Å
22	L	84.3	Confident	80.9	Confident	69 Å²	69	102.2 Å²	102.2	36%	0.361	51%	0.507	S	S	.	.	H	α-helix	trans	-65.7	-48.3	174	-72.4	169.6	0	0	0	111.7	V18 I19 R24 R25 R26 F42	V18-L22 HydrophobicContact CG1-CD1 4.32Å; V18-L22 WeakPolarHBondContact O-CG 3.5Å; V18-L22 PolarHBondContact O-N 3.08Å; I19-L22 PolarHBondContact O-N 3.23Å; I19-L22 VanDerWaalsContact O-N 3.14Å; L22-R24 VanDerWaalsContact C-N 3.3Å; L22-R24 PolarHBondContact O-N 2.9Å; L22-R25 WeakPolarHBondContact O-CB 3.45Å; L22-R25 PolarHBondContact O-N 3.43Å; L22-R25 VanDerWaalsContact O-N 3.09Å; L22-R26 WeakPolarHBondContact O-CG 3.41Å; L22-R26 PolarHBondContact O-N 3.16Å; L22-F42 HydrophobicContact CD1-CZ 4.06Å; L22-F42 HydrophobicContact CD2-CD2 4.43Å; L22-F42 HydrophobicContact CD2-CE1 4.02Å; L22-F42 HydrophobicContact CD2-CE2 3.51Å; L22-F42 HydrophobicContact CD2-CZ 3.29Å; L22-F42 HydrophobicContact CG-CE1 4.39Å; L22-F42 HydrophobicContact CG-CE2 3.72Å; L22-F42 HydrophobicContact CG-CZ 3.38Å
23	E	85.1	Confident	80.4	Confident	77 Å²	77	94.4 Å²	94.4	36%	0.36	50%	0.498	S	S	.	.	H	α-helix	trans	-61	-42.1	177.7	-73.1	-54.5	137.6	0	0	111.1	I19 R25 R26 I27	I19-E23 HydrophobicContact CG2-CG 4.49Å; I19-E23 PolarHBondContact O-N 2.98Å; E23-R25 VanDerWaalsContact C-N 3.3Å; E23-R25 PolarHBondContact O-N 2.96Å; E23-R26 WeakPolarHBondContact O-CB 3.27Å; E23-R26 PolarHBondContact O-N 3.33Å; E23-R26 VanDerWaalsContact O-N 3.13Å; E23-R26 IonicContact OE1-CZ 3.86Å; E23-R26 IonicContact OE1-NH1 3.42Å; E23-R26 PolarHBondContact OE1-NH1 3.34Å; E23-I27 WeakPolarHBondContact O-CD1 3.47Å; E23-I27 VanDerWaalsContact O-CG1 3.28Å; E23-I27 WeakPolarHBondContact O-CG1 3.31Å; E23-I27 PolarHBondContact O-N 2.96Å
24	R	82.6	Confident	80	Confident	145 Å²	145	92.5 Å²	92.5	55%	0.547	49%	0.491	S	S	.	.	H	α-helix	trans	-60.9	-38.5	174.3	-169.1	177.2	-175.8	-173.9	2.5	112.7	H20 L22 S28	H20-R24 WeakPolarHBondContact O-CB 3.35Å; H20-R24 PolarHBondContact O-N 3.24Å; L22-R24 VanDerWaalsContact C-N 3.3Å; L22-R24 PolarHBondContact O-N 2.9Å; R24-S28 WeakPolarHBondContact O-CB 3.35Å; R24-S28 PolarHBondContact O-N 3.05Å
25	R	78.9	Confident	79.8	Confident	126 Å²	126	91.4 Å²	91.4	48%	0.475	49%	0.486	S	S	.	.	H	α-helix	trans	-66.7	-35.8	175.4	-179.2	-179.3	173.1	-175.3	-3.2	112.1	R21 L22 E23	R21-R25 PolarHBondContact O-N 3.3Å; L22-R25 WeakPolarHBondContact O-CB 3.45Å; L22-R25 PolarHBondContact O-N 3.43Å; L22-R25 VanDerWaalsContact O-N 3.09Å; E23-R25 VanDerWaalsContact C-N 3.3Å; E23-R25 PolarHBondContact O-N 2.96Å
26	R	81.5	Confident	79.3	Confident	190 Å²	190	92.6 Å²	92.6	72%	0.717	48%	0.484	S	S	*	.	H	α-helix	trans	-66.9	-42.3	175.9	-72.6	173.9	173	-179.5	-8	112	L22 E23	L22-R26 WeakPolarHBondContact O-CG 3.41Å; L22-R26 PolarHBondContact O-N 3.16Å; E23-R26 WeakPolarHBondContact O-CB 3.27Å; E23-R26 PolarHBondContact O-N 3.33Å; E23-R26 VanDerWaalsContact O-N 3.13Å; E23-R26 IonicContact OE1-CZ 3.86Å; E23-R26 IonicContact OE1-NH1 3.42Å; E23-R26 PolarHBondContact OE1-NH1 3.34Å
27	I	82.8	Confident	79	Confident	140 Å²	140	95.7 Å²	95.7	72%	0.718	50%	0.498	S	S	*	.	H	α-helix	trans	-88	-24.6	-171.5	-59.4	163.3	0	0	0	111.9	E23	E23-I27 WeakPolarHBondContact O-CD1 3.47Å; E23-I27 VanDerWaalsContact O-CG1 3.28Å; E23-I27 WeakPolarHBondContact O-CG1 3.31Å; E23-I27 PolarHBondContact O-N 2.96Å
28	S	76.3	Confident	78.6	Confident	57 Å²	57	95.1 Å²	95.1	40%	0.399	49%	0.493	S	S	.	.			trans	-137.6	123.8	-176.7	-176.2	0	0	0	0	112.1	R24 G30	R24-S28 WeakPolarHBondContact O-CB 3.35Å; R24-S28 PolarHBondContact O-N 3.05Å; S28-G30 PolarHBondContact O-N 3.48Å; S28-G30 PolarHBondContact OG-N 3.48Å
29	S	67.2	Low	78.3	Confident	104 Å²	104	95 Å²	95	73%	0.727	49%	0.493	S	S	*	.			trans	-79.7	6.9	174.3	-45.7	0	0	0	0	113.7	Q38	S29-Q38 PolarHBondContact O-OE1 3.46Å
30	G	73.4	Confident	78	Confident	33 Å²	33	91.2 Å²	91.2	34%	0.34	47%	0.47	S	S	.	.			trans	71.2	-163.3	-176.1	0	0	0	0	0	114.8	S28	S28-G30 PolarHBondContact O-N 3.48Å; S28-G30 PolarHBondContact OG-N 3.48Å
31	K	78.4	Confident	77.9	Confident	174 Å²	174	88.5 Å²	88.5	76%	0.757	46%	0.46	S	S	*	.	S	Bend	trans	-75.3	148.4	169.9	-65.9	-176.2	178.2	-175.6	0	109.1	G33 T34	K31-G33 PolarHBondContact O-N 2.97Å; K31-T34 HydrophobicContact CB-CG2 3.94Å; K31-T34 PolarHBondContact N-OG1 2.93Å; K31-T34 WeakPolarHBondContact O-CB 3.3Å; K31-T34 PolarHBondContact O-N 2.98Å; K31-T34 PolarHBondContact O-OG1 2.86Å
32	A	75.8	Confident	78	Confident	108 Å²	108	88.7 Å²	88.7	89%	0.893	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	136	175.4	0	0	0	0	0	111.2	T34	A32-T34 VanDerWaalsContact C-N 3.28Å; A32-T34 PolarHBondContact O-N 2.95Å
33	G	70.1	Confident	78.1	Confident	69 Å²	69	87 Å²	87	71%	0.711	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	-4.9	-178.1	0	0	0	0	0	116.1	K31	K31-G33 PolarHBondContact O-N 2.97Å
34	T	74.3	Confident	78.3	Confident	45 Å²	45	83.4 Å²	83.4	28%	0.276	44%	0.435	S	S	.	.			trans	-93	-2.6	-177.5	65.6	0	0	0	0	115.2	K31 A32 W36 H37 Q38	K31-T34 HydrophobicContact CB-CG2 3.94Å; K31-T34 PolarHBondContact N-OG1 2.93Å; K31-T34 WeakPolarHBondContact O-CB 3.3Å; K31-T34 PolarHBondContact O-N 2.98Å; K31-T34 PolarHBondContact O-OG1 2.86Å; A32-T34 VanDerWaalsContact C-N 3.28Å; A32-T34 PolarHBondContact O-N 2.95Å; T34-W36 VanDerWaalsContact C-N 3.33Å; T34-W36 PolarHBondContact O-N 3.49Å; T34-H37 PolarHBondContact O-N 2.8Å; T34-H37 VanDerWaalsContact O-N 3.1Å; T34-Q38 WeakPolarHBondContact O-CG 3.38Å; T34-Q38 PolarHBondContact O-N 2.63Å
35	H	73.9	Confident	78.6	Confident	96 Å²	96	76.9 Å²	76.9	44%	0.444	41%	0.411	S	S	.	.	H	α-helix	trans	-51.2	-47	-175.4	67.7	-67.1	0	0	0	113.4	H37 Q38 V39	H35-H37 PolarHBondContact O-N 3.5Å; H35-Q38 WeakPolarHBondContact O-CB 2.83Å; H35-Q38 PolarHBondContact O-N 3.11Å; H35-V39 WeakPolarHBondContact O-CG2 3.43Å; H35-V39 PolarHBondContact O-N 3.47Å
36	W	73.4	Confident	79.1	Confident	108 Å²	108	72.7 Å²	72.7	41%	0.409	40%	0.4	S	S	.	.	H	α-helix	trans	-61.1	-45.5	177.7	-68.1	121.5	0	0	0	113.6	T34 Q38 V39 R40 Q408 F409	T34-W36 VanDerWaalsContact C-N 3.33Å; T34-W36 PolarHBondContact O-N 3.49Å; W36-Q38 VanDerWaalsContact C-N 3.29Å; W36-Q38 PolarHBondContact O-N 3.44Å; W36-V39 PolarHBondContact O-N 3.39Å; W36-R40 WeakPolarHBondContact O-CB 3.47Å; W36-R40 WeakPolarHBondContact O-CG 3.49Å; W36-R40 PolarHBondContact O-N 2.9Å; W36-Q408 VanDerWaalsContact CH2-OE1 3.27Å; W36-F409 HydrophobicContact CB-CD2 4.07Å; W36-F409 HydrophobicContact CB-CE2 3.44Å; W36-F409 VanDerWaalsContact CB-CE2 3.44Å; W36-F409 HydrophobicContact CB-CZ 4Å; W36-F409 AromaticContact CD1-CE2 3.43Å; W36-F409 VanDerWaalsContact CD1-CE2 3.43Å; W36-F409 AromaticContact CD1-CZ 3.39Å; W36-F409 AromaticContact CD2-CE2 3.81Å; W36-F409 HydrophobicContact CD2-CE2 3.81Å; W36-F409 HydrophobicContact CG-CD2 4.29Å; W36-F409 AromaticContact CG-CE2 3.28Å; W36-F409 HydrophobicContact CG-CE2 3.28Å; W36-F409 AromaticContact CG-CZ 3.74Å; W36-F409 HydrophobicContact CG-CZ 3.74Å; W36-F409 AromaticContact NE1-CE2 3.98Å; W36-F409 AromaticContact NE1-CZ 3.99Å
37	H	76.4	Confident	79.5	Confident	103 Å²	103	65.3 Å²	65.3	48%	0.477	37%	0.373	S	S	.	.	H	α-helix	trans	-62.7	-39.5	176.5	-177.6	68.9	0	0	0	111.2	T34 H35 R40 V41	T34-H37 PolarHBondContact O-N 2.8Å; T34-H37 VanDerWaalsContact O-N 3.1Å; H35-H37 PolarHBondContact O-N 3.5Å; H37-R40 PolarHBondContact O-N 3.43Å; H37-V41 VanDerWaalsContact O-CG2 3.26Å; H37-V41 WeakPolarHBondContact O-CG2 3.29Å; H37-V41 PolarHBondContact O-N 3.46Å
38	Q	76.3	Confident	79.9	Confident	68 Å²	68	58.8 Å²	58.8	32%	0.318	34%	0.339	S	S	.	.	H	α-helix	trans	-64.4	-39.8	176.9	-69.3	-172	-25.4	0	0	113.1	S29 T34 H35 W36	S29-Q38 PolarHBondContact O-OE1 3.46Å; T34-Q38 WeakPolarHBondContact O-CG 3.38Å; T34-Q38 PolarHBondContact O-N 2.63Å; H35-Q38 WeakPolarHBondContact O-CB 2.83Å; H35-Q38 PolarHBondContact O-N 3.11Å; W36-Q38 VanDerWaalsContact C-N 3.29Å; W36-Q38 PolarHBondContact O-N 3.44Å
39	V	77.8	Confident	80.5	Confident	46 Å²	46	58.6 Å²	58.6	28%	0.279	33%	0.334	S	S	.	.	H	α-helix	trans	-63.6	-45	173.2	176.5	0	0	0	0	110.1	H35 W36 V41 F42	H35-V39 WeakPolarHBondContact O-CG2 3.43Å; H35-V39 PolarHBondContact O-N 3.47Å; W36-V39 PolarHBondContact O-N 3.39Å; V39-V41 PolarHBondContact O-N 2.89Å; V39-F42 WeakPolarHBondContact O-CB 3.48Å; V39-F42 PolarHBondContact O-N 2.96Å; V39-F42 VanDerWaalsContact O-N 3.08Å
40	R	80.3	Confident	81.5	Confident	36 Å²	36	53.8 Å²	53.8	14%	0.136	30%	0.3	C	S	.	.	H	α-helix	trans	-61.9	-41.7	180	-82.7	-174.7	167.7	-135.8	-4.9	113.4	W36 H37 F42 H43 Q408 F409 D463 L466	W36-R40 WeakPolarHBondContact O-CB 3.47Å; W36-R40 WeakPolarHBondContact O-CG 3.49Å; W36-R40 PolarHBondContact O-N 2.9Å; H37-R40 PolarHBondContact O-N 3.43Å; R40-F42 PolarHBondContact O-N 3.11Å; R40-H43 WeakPolarHBondContact O-CB 2.86Å; R40-H43 PolarHBondContact O-N 3.41Å; R40-H43 PolarHBondContact O-ND1 2.95Å; R40-Q408 PolarHBondContact NH2-O 3.45Å; R40-F409 PolarHBondContact NH1-O 3.45Å; R40-F409 PolarHBondContact NH2-O 2.95Å; R40-F409 VanDerWaalsContact NH2-O 3.11Å; R40-D463 IonicContact CZ-OD2 3.76Å; R40-D463 IonicContact NH1-OD2 3.59Å; R40-D463 PolarHBondContact NH1-OD2 2.75Å; R40-L466 HydrophobicContact CB-CD1 4.1Å; R40-L466 HydrophobicContact CB-CD2 4.42Å; R40-L466 WeakPolarHBondContact O-CD1 3.1Å
41	V	83.1	Confident	82.3	Confident	34 Å²	34	52.4 Å²	52.4	21%	0.206	29%	0.285	C	S	.	.	H	α-helix	trans	-54	-24.7	174.7	166	0	0	0	0	112.3	H37 V39 H43 Q44 L466	H37-V41 VanDerWaalsContact O-CG2 3.26Å; H37-V41 WeakPolarHBondContact O-CG2 3.29Å; H37-V41 PolarHBondContact O-N 3.46Å; V39-V41 PolarHBondContact O-N 2.89Å; V41-H43 PolarHBondContact O-N 2.94Å; V41-Q44 VanDerWaalsContact O-CB 3.3Å; V41-Q44 WeakPolarHBondContact O-CB 3.44Å; V41-Q44 PolarHBondContact O-N 3.09Å; V41-Q44 VanDerWaalsContact O-N 3.08Å; V41-L466 HydrophobicContact CG2-CD2 4.09Å
42	F	85.4	Confident	82.8	Confident	35 Å²	35	44.1 Å²	44.1	15%	0.154	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-65.4	-26.7	178.2	-143	-89.3	0	0	0	113.8	V18 R21 L22 V39 R40 Q44 N45 V46	V18-F42 HydrophobicContact CG1-CE1 3.75Å; V18-F42 HydrophobicContact CG1-CZ 3.44Å; V18-F42 VanDerWaalsContact CG1-CZ 3.44Å; R21-F42 HydrophobicContact CB-CD2 4.45Å; R21-F42 HydrophobicContact CB-CE2 3.83Å; L22-F42 HydrophobicContact CD1-CZ 4.06Å; L22-F42 HydrophobicContact CD2-CD2 4.43Å; L22-F42 HydrophobicContact CD2-CE1 4.02Å; L22-F42 HydrophobicContact CD2-CE2 3.51Å; L22-F42 HydrophobicContact CD2-CZ 3.29Å; L22-F42 HydrophobicContact CG-CE1 4.39Å; L22-F42 HydrophobicContact CG-CE2 3.72Å; L22-F42 HydrophobicContact CG-CZ 3.38Å; V39-F42 WeakPolarHBondContact O-CB 3.48Å; V39-F42 PolarHBondContact O-N 2.96Å; V39-F42 VanDerWaalsContact O-N 3.08Å; R40-F42 PolarHBondContact O-N 3.11Å; F42-Q44 PolarHBondContact O-N 3.35Å; F42-N45 WeakPolarHBondContact O-CB 3.34Å; F42-N45 PolarHBondContact O-N 3.39Å; F42-N45 PolarHBondContact O-ND2 2.82Å; F42-V46 HydrophobicContact CD1-CG2 4.02Å; F42-V46 HydrophobicContact CE1-CG2 3.94Å; F42-V46 PolarHBondContact O-N 2.92Å
43	H	87.8	Confident	83.4	Confident	32 Å²	32	39.2 Å²	39.2	15%	0.148	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-65.7	-17.1	174.3	-59.4	84.7	0	0	0	112.4	R40 V41 N45 V46 P460 Y461 F526	R40-H43 WeakPolarHBondContact O-CB 2.86Å; R40-H43 PolarHBondContact O-N 3.41Å; R40-H43 PolarHBondContact O-ND1 2.95Å; V41-H43 PolarHBondContact O-N 2.94Å; H43-N45 PolarHBondContact O-N 2.9Å; H43-V46 CarbonylContact O-C 3.48Å; H43-P460 HydrophobicContact CB-CB 4.18Å; H43-P460 HydrophobicContact CB-CG 4.34Å; H43-P460 WeakPolarHBondContact CD2-CG 3.35Å; H43-Y461 HydrophobicContact CB-CE1 4.11Å; H43-Y461 AromaticContact CD2-CZ 3.97Å; H43-F526 PolarHBondContact NE2-O 3.3Å
44	Q	88.9	Confident	84.3	Confident	3 Å²	3	38.6 Å²	38.6	1%	0.014	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-72.4	-9.2	170	-61.4	175.9	-34.7	0	0	113.5	V41 F42 L466 F467 A492 D494 K499	V41-Q44 VanDerWaalsContact O-CB 3.3Å; V41-Q44 WeakPolarHBondContact O-CB 3.44Å; V41-Q44 PolarHBondContact O-N 3.09Å; V41-Q44 VanDerWaalsContact O-N 3.08Å; F42-Q44 PolarHBondContact O-N 3.35Å; Q44-L466 HydrophobicContact CG-CB 4.28Å; Q44-L466 PolarHBondContact NE2-O 3.38Å; Q44-F467 HydrophobicContact CB-CZ 4.44Å; Q44-F467 HydrophobicContact CG-CE1 4.22Å; Q44-F467 HydrophobicContact CG-CZ 4.07Å; Q44-A492 HydrophobicContact CG-CB 4.5Å; Q44-D494 PolarHBondContact OE1-OD2 2.74Å; Q44-K499 WeakPolarHBondContact O-CD 3.47Å; Q44-K499 VanDerWaalsContact O-CE 3.26Å; Q44-K499 WeakPolarHBondContact O-CE 3.38Å; Q44-K499 PolarHBondContact O-NZ 2.64Å
45	N	88.1	Confident	85	Confident	7 Å²	7	36.7 Å²	36.7	4%	0.037	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-28.7	175	-47.9	-52.7	0	0	0	111.9	V18 R21 F42 H43 R547	V18-N45 HydrophobicContact CG1-CB 4.46Å; V18-N45 HydrophobicContact CG2-CB 3.8Å; R21-N45 WeakPolarHBondContact CD-ND2 3.42Å; R21-N45 WeakPolarHBondContact CD-OD1 3.46Å; R21-N45 PolarHBondContact NH1-ND2 3.29Å; R21-N45 PolarHBondContact NH1-OD1 3.36Å; F42-N45 WeakPolarHBondContact O-CB 3.34Å; F42-N45 PolarHBondContact O-N 3.39Å; F42-N45 PolarHBondContact O-ND2 2.82Å; H43-N45 PolarHBondContact O-N 2.9Å; N45-R547 PolarHBondContact O-NH1 3.37Å
46	V	89.1	Confident	85.7	Confident	38 Å²	38	37.2 Å²	37.2	23%	0.23	18%	0.179	C	C	.	.	S	Bend	trans	-111.6	96.9	179.1	-174.8	0	0	0	0	108.5	F42 H43 Y461 P528	F42-V46 HydrophobicContact CD1-CG2 4.02Å; F42-V46 HydrophobicContact CE1-CG2 3.94Å; F42-V46 PolarHBondContact O-N 2.92Å; H43-V46 CarbonylContact O-C 3.48Å; V46-Y461 VanDerWaalsContact O-CE1 3.24Å; V46-Y461 WeakPolarHBondContact O-CE1 3.45Å; V46-Y461 PolarHBondContact O-OH 3.35Å; V46-P528 HydrophobicContact CG1-CB 4.31Å; V46-P528 HydrophobicContact CG1-CG 3.88Å
47	F	89.9	Confident	86.5	Confident	35 Å²	35	34.9 Å²	34.9	15%	0.154	17%	0.172	C	C	.	.			trans	-137.3	158.8	-173.7	49	-101.4	0	0	0	111.7	N49 Y461 K499 F500	F47-N49 HydrophobicContact CD2-CB 4.01Å; F47-N49 HydrophobicContact CE2-CB 3.89Å; F47-N49 PolarHBondContact O-N 2.88Å; F47-Y461 HydrophobicContact CB-CE1 4.01Å; F47-K499 HydrophobicContact CD1-CB 4.18Å; F47-K499 HydrophobicContact CE1-CB 4.15Å; F47-K499 HydrophobicContact CE1-CD 3.96Å; F47-K499 WeakPolarHBondContact CE2-O 3.43Å; F47-K499 HydrophobicContact CZ-CB 4.44Å; F47-K499 VanDerWaalsContact CZ-O 3.28Å; F47-K499 WeakPolarHBondContact CZ-O 3.42Å; F47-F500 HydrophobicContact CB-CD1 3.55Å; F47-F500 HydrophobicContact CB-CE1 3.95Å; F47-F500 HydrophobicContact CB-CG 4.16Å; F47-F500 HydrophobicContact CD2-CB 3.65Å; F47-F500 HydrophobicContact CD2-CD1 4.11Å; F47-F500 HydrophobicContact CD2-CG 4.19Å; F47-F500 HydrophobicContact CE2-CB 4.19Å; F47-F500 HydrophobicContact CG-CB 4.32Å; F47-F500 AromaticContact CG-CD1 3.9Å; F47-F500 HydrophobicContact CG-CD1 3.9Å; F47-F500 HydrophobicContact CG-CG 4.41Å
48	P	91	Very high	87.1	Confident	3 Å²	3	32 Å²	32	2%	0.019	16%	0.163	C	C	.	.			trans	-70.6	113.8	173.6	28	-32.1	0	0	0	109.2	F500 H545 M546	P48-F500 HydrophobicContact CG-CD2 3.92Å; P48-F500 HydrophobicContact CG-CE2 3.86Å; P48-F500 HydrophobicContact CG-CZ 4.43Å; P48-F500 WeakPolarHBondContact O-CB 3.11Å; P48-F500 WeakPolarHBondContact O-CD2 3.17Å; P48-F500 WeakPolarHBondContact O-CG 3.41Å; P48-H545 HydrophobicContact CB-CB 4.26Å; P48-M546 CarbonylContact C-O 3.6Å; P48-M546 VanDerWaalsContact CA-O 3.29Å; P48-M546 WeakPolarHBondContact CA-O 3.39Å
49	N	89.1	Confident	87.7	Confident	54 Å²	54	33.2 Å²	33.2	29%	0.289	18%	0.176	S	C	.	.			trans	-113.9	1.2	-178	65.3	-27.8	0	0	0	113	F47 M546 R547 H548	F47-N49 HydrophobicContact CD2-CB 4.01Å; F47-N49 HydrophobicContact CE2-CB 3.89Å; F47-N49 PolarHBondContact O-N 2.88Å; N49-M546 PolarHBondContact N-O 3.24Å; N49-R547 VanDerWaalsContact OD1-CA 3.28Å; N49-R547 WeakPolarHBondContact OD1-CA 3.32Å; N49-H548 PolarHBondContact ND2-O 3.02Å; N49-H548 PolarHBondContact OD1-N 3.46Å; N49-H548 PolarHBondContact OD1-O 3.37Å
50	F	89.9	Confident	88.3	Confident	2 Å²	2	31 Å²	31	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	134.2	-177.2	-168.3	-106.3	0	0	0	111.1	V52 L97 Y100 G102 E103 L105 H545 M546 H548	F50-V52 HydrophobicContact CD1-CG2 3.96Å; F50-V52 HydrophobicContact CE1-CG2 3.55Å; F50-L97 HydrophobicContact CD1-CD1 4.03Å; F50-L97 HydrophobicContact CE1-CD1 4.03Å; F50-L97 HydrophobicContact CE1-CD2 3.78Å; F50-L97 HydrophobicContact CZ-CD2 4.36Å; F50-Y100 AromaticContact CE2-CD1 3.59Å; F50-Y100 HydrophobicContact CE2-CD1 3.59Å; F50-Y100 AromaticContact CE2-CE1 3.7Å; F50-Y100 HydrophobicContact CE2-CE1 3.7Å; F50-Y100 AromaticContact CZ-CD1 3.58Å; F50-Y100 HydrophobicContact CZ-CD1 3.58Å; F50-Y100 AromaticContact CZ-CE1 3.74Å; F50-Y100 HydrophobicContact CZ-CE1 3.74Å; F50-Y100 HydrophobicContact CZ-CG 4.47Å; F50-G102 VanDerWaalsContact CD2-O 3.25Å; F50-G102 WeakPolarHBondContact CD2-O 3.39Å; F50-G102 WeakPolarHBondContact CE2-O 3.34Å; F50-E103 WeakPolarHBondContact CA-O 3.36Å; F50-E103 WeakPolarHBondContact CD2-O 3.4Å; F50-L105 HydrophobicContact CE1-CB 4.17Å; F50-L105 HydrophobicContact CZ-CB 3.89Å; F50-H545 CarbonylContact O-C 3.44Å; F50-H545 WeakPolarHBondContact O-CA 3.3Å; F50-M546 HydrophobicContact CB-CG 4.44Å; F50-M546 HydrophobicContact CD1-CG 4.4Å; F50-M546 PolarHBondContact N-O 3.32Å; F50-M546 PolarHBondContact O-N 2.77Å; F50-H548 HydrophobicContact CB-CB 3.55Å; F50-H548 HydrophobicContact CD1-CB 4.33Å; F50-H548 HydrophobicContact CD2-CB 4.34Å; F50-H548 HydrophobicContact CG-CB 3.84Å
51	T	90.2	Very high	88.9	Confident	4 Å²	4	31.2 Å²	31.2	3%	0.025	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125	177.7	-62.5	0	0	0	0	111.2	V53 E103 I104 L105 Q503 N543 F544 H545	T51-V53 HydrophobicContact CG2-CG2 4.07Å; T51-E103 PolarHBondContact N-O 2.92Å; T51-I104 CarbonylContact O-C 3.46Å; T51-I104 WeakPolarHBondContact O-CA 3.16Å; T51-L105 PolarHBondContact O-N 2.73Å; T51-Q503 HydrophobicContact CG2-CB 4.32Å; T51-N543 HydrophobicContact CG2-CB 4.43Å; T51-F544 WeakPolarHBondContact CA-O 3.17Å; T51-H545 VanDerWaalsContact CG2-CE1 3.47Å; T51-H545 WeakPolarHBondContact CG2-CE1 3.21Å; T51-H545 WeakPolarHBondContact CG2-ND1 3.43Å; T51-H545 PolarHBondContact OG1-ND1 3.41Å
52	V	88.9	Confident	89.4	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117.5	167.3	-178.3	0	0	0	0	108.5	F50 V55 L105 R117 L120 N543 F544 M546	F50-V52 HydrophobicContact CD1-CG2 3.96Å; F50-V52 HydrophobicContact CE1-CG2 3.55Å; V52-V55 HydrophobicContact CB-CG2 4.07Å; V52-V55 HydrophobicContact CG1-CG2 3.7Å; V52-L105 HydrophobicContact CG1-CB 4.38Å; V52-L105 HydrophobicContact CG1-CD2 3.77Å; V52-L105 HydrophobicContact CG2-CB 4.16Å; V52-R117 HydrophobicContact CG1-CG 3.91Å; V52-L120 HydrophobicContact CB-CD2 4.09Å; V52-L120 HydrophobicContact CG1-CD2 4.15Å; V52-L120 HydrophobicContact CG2-CD1 4.28Å; V52-L120 HydrophobicContact CG2-CD2 4.28Å; V52-N543 VanDerWaalsContact O-CA 3.27Å; V52-N543 WeakPolarHBondContact O-CA 3.43Å; V52-N543 WeakPolarHBondContact O-CB 3.26Å; V52-F544 PolarHBondContact N-O 3.28Å; V52-F544 PolarHBondContact O-N 2.98Å; V52-M546 HydrophobicContact CB-CE 4.35Å; V52-M546 HydrophobicContact CG2-CE 3.82Å
53	V	88.3	Confident	89.8	Confident	5 Å²	5	30.4 Å²	30.4	3%	0.03	16%	0.158	C	C	.	.			trans	-88.7	140.7	-178.9	179.6	0	0	0	0	110.1	T51 I104 L105 R117 N543	T51-V53 HydrophobicContact CG2-CG2 4.07Å; V53-I104 HydrophobicContact CG2-CG2 4.1Å; V53-L105 PolarHBondContact N-O 3.33Å; V53-L105 VanDerWaalsContact N-O 3.14Å; V53-R117 WeakPolarHBondContact O-CD 3.37Å; V53-N543 WeakPolarHBondContact CA-OD1 3.41Å; V53-N543 WeakPolarHBondContact CG1-OD1 3.22Å
54	N	87.5	Confident	90	Very high	56 Å²	56	29.9 Å²	29.9	30%	0.299	16%	0.156	S	C	.	.	S	Bend	trans	55.5	56.6	174	-168.9	48.9	0	0	0	113.2	N107 V541 V542 N543	N54-N107 WeakPolarHBondContact CB-OD1 3.29Å; N54-N107 PolarHBondContact ND2-OD1 2.89Å; N54-V541 HydrophobicContact CB-CG1 4.12Å; N54-V542 CarbonylContact C-O 3.54Å; N54-V542 VanDerWaalsContact CA-O 3.24Å; N54-V542 WeakPolarHBondContact CA-O 3.32Å; N54-V542 PolarHBondContact N-O 3.4Å; N54-V542 VanDerWaalsContact N-O 3.15Å; N54-N543 PolarHBondContact N-OD1 3.37Å
55	V	89	Confident	90.2	Very high	5 Å²	5	30 Å²	30	3%	0.03	16%	0.156	C	C	.	.			trans	-65.2	132.2	173.6	178.3	0	0	0	0	109.5	V52 L120 F121 V542 F544	V52-V55 HydrophobicContact CB-CG2 4.07Å; V52-V55 HydrophobicContact CG1-CG2 3.7Å; V55-L120 HydrophobicContact CB-CD2 4.38Å; V55-L120 HydrophobicContact CG1-CB 4.02Å; V55-L120 HydrophobicContact CG1-CD2 3.9Å; V55-L120 HydrophobicContact CG2-CD2 3.5Å; V55-F121 HydrophobicContact CG1-CB 4.29Å; V55-V542 PolarHBondContact N-O 3.5Å; V55-F544 HydrophobicContact CG1-CD2 4.35Å; V55-F544 HydrophobicContact CG1-CE1 4.47Å; V55-F544 HydrophobicContact CG1-CE2 4.08Å; V55-F544 HydrophobicContact CG1-CZ 4.14Å; V55-F544 HydrophobicContact CG2-CB 4.15Å; V55-F544 HydrophobicContact CG2-CD1 4.21Å; V55-F544 HydrophobicContact CG2-CD2 4.29Å; V55-F544 HydrophobicContact CG2-CG 3.94Å
56	E	88.9	Confident	90.4	Very high	108 Å²	108	29.6 Å²	29.6	51%	0.505	15%	0.154	S	C	.	.			trans	-71.5	137.7	173.9	-62.9	-175.3	175.2	0	0	109.2	R117 G118 F121	E56-R117 PolarHBondContact N-O 2.81Å; E56-G118 VanDerWaalsContact OE2-CA 3.31Å; E56-G118 WeakPolarHBondContact OE2-CA 3.24Å; E56-F121 VanDerWaalsContact O-CB 3.26Å; E56-F121 WeakPolarHBondContact O-CB 3.27Å
57	K	89.7	Confident	90.4	Very high	58 Å²	58	28.6 Å²	28.6	25%	0.252	15%	0.148	S	C	.	.			trans	-139.3	159.8	-178.7	63.5	149.1	-170.4	78.3	0	111.2	C60 L62 F121 Y540 V542	K57-C60 VanDerWaalsContact CE-O 3.26Å; K57-C60 WeakPolarHBondContact CE-O 3.31Å; K57-C60 PolarHBondContact NZ-O 3.35Å; K57-L62 HydrophobicContact CD-CD1 4.23Å; K57-L62 HydrophobicContact CD-CD2 4.27Å; K57-L62 HydrophobicContact CD-CG 4.14Å; K57-F121 HydrophobicContact CB-CD2 3.68Å; K57-F121 HydrophobicContact CB-CE2 3.95Å; K57-F121 HydrophobicContact CB-CG 4.24Å; K57-Y540 HydrophobicContact CD-CD1 4.29Å; K57-Y540 HydrophobicContact CD-CE1 4.03Å; K57-V542 HydrophobicContact CD-CG2 3.96Å; K57-V542 HydrophobicContact CG-CG2 4.41Å
58	P	89.4	Confident	90.3	Very high	43 Å²	43	28.8 Å²	28.8	28%	0.279	15%	0.151	S	C	.	.			trans	-55.2	161.7	168.2	-24.5	34.8	0	0	0	112.5	C60 F121	P58-C60 PolarHBondContact O-N 2.72Å; P58-F121 VanDerWaalsContact CD-CD1 3.42Å; P58-F121 HydrophobicContact CG-CD1 3.97Å; P58-F121 HydrophobicContact CG-CE1 3.69Å; P58-F121 HydrophobicContact CG-CZ 4.34Å
59	P	88.9	Confident	90.2	Very high	93 Å²	93	28.7 Å²	28.7	60%	0.604	15%	0.151	S	C	*	.	S	Bend	trans	-73.1	69.9	175.6	33.2	-36.5	0	0	0	111	S77	P59-S77 WeakPolarHBondContact O-CA 3.41Å; P59-S77 WeakPolarHBondContact O-CB 3.33Å; P59-S77 PolarHBondContact O-N 2.96Å; P59-S77 PolarHBondContact O-OG 2.9Å
60	C	91.8	Very high	90.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	165	178.5	66.2	0	0	0	0	112	K57 P58 A74 F75 E83	K57-C60 VanDerWaalsContact CE-O 3.26Å; K57-C60 WeakPolarHBondContact CE-O 3.31Å; K57-C60 PolarHBondContact NZ-O 3.35Å; P58-C60 PolarHBondContact O-N 2.72Å; C60-A74 HydrophobicContact CB-CB 4.07Å; C60-F75 CarbonylContact C-O 3.58Å; C60-F75 WeakPolarHBondContact CA-O 3.38Å; C60-F75 VanDerWaalsContact CB-O 3.28Å; C60-F75 WeakPolarHBondContact CB-O 3.45Å; C60-E83 WeakPolarHBondContact CB-OE2 3.38Å
61	F	92.5	Very high	90.6	Very high	39 Å²	39	35.1 Å²	35.1	17%	0.171	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	108.8	173.5	-60.2	-70	0	0	0	109.1	R63 A74 F75 Q79 R142 Y540	F61-R63 PolarHBondContact O-N 2.83Å; F61-A74 CarbonylContact O-C 3.51Å; F61-A74 VanDerWaalsContact O-CA 3.25Å; F61-A74 WeakPolarHBondContact O-CA 3.18Å; F61-A74 WeakPolarHBondContact O-CB 3.45Å; F61-F75 HydrophobicContact CB-CB 4.38Å; F61-F75 PolarHBondContact N-O 3.08Å; F61-F75 PolarHBondContact O-N 3.46Å; F61-Q79 HydrophobicContact CE2-CG 4.48Å; F61-R142 HydrophobicContact CB-CG 4.47Å; F61-R142 HydrophobicContact CD2-CG 4.28Å; F61-R142 VanDerWaalsContact CE2-NH1 3.26Å; F61-R142 VanDerWaalsContact CE2-NH2 3.26Å; F61-R142 HydrophobicContact CG-CG 4.45Å; F61-Y540 HydrophobicContact CD1-CD2 4.27Å; F61-Y540 AromaticContact CD1-CE2 3.81Å; F61-Y540 HydrophobicContact CD1-CE2 3.81Å; F61-Y540 HydrophobicContact CE1-CD2 4.39Å; F61-Y540 HydrophobicContact CE1-CE2 4.38Å
62	L	93.9	Very high	90.9	Very high	17 Å²	17	35 Å²	35	9%	0.089	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	130.9	179	-54.3	-174.7	0	0	0	109.8	K57 F72 A74 F121 I531 V533 Y540 V542	K57-L62 HydrophobicContact CD-CD1 4.23Å; K57-L62 HydrophobicContact CD-CD2 4.27Å; K57-L62 HydrophobicContact CD-CG 4.14Å; L62-F72 HydrophobicContact CB-CE1 3.96Å; L62-F72 HydrophobicContact CB-CZ 3.83Å; L62-F72 HydrophobicContact CD2-CE1 3.8Å; L62-F72 HydrophobicContact CD2-CZ 4.48Å; L62-F72 HydrophobicContact CG-CE1 4.37Å; L62-A74 HydrophobicContact CD2-CB 4.2Å; L62-F121 HydrophobicContact CD1-CE2 4.43Å; L62-F121 HydrophobicContact CD2-CE2 3.75Å; L62-F121 HydrophobicContact CD2-CZ 4.06Å; L62-I531 HydrophobicContact CD1-CG2 4.16Å; L62-V533 HydrophobicContact CD1-CG2 4.48Å; L62-Y540 PolarHBondContact N-OH 3.33Å; L62-Y540 VanDerWaalsContact N-OH 3.11Å; L62-V542 HydrophobicContact CD1-CG1 3.71Å; L62-V542 HydrophobicContact CD1-CG2 3.96Å
63	R	92.4	Very high	91.2	Very high	35 Å²	35	35 Å²	35	13%	0.132	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-71.3	-173.8	176.4	56.3	173.4	107.9	-2.2	114.8	F61 I73 F75 R142 E143 S145	F61-R63 PolarHBondContact O-N 2.83Å; R63-I73 HydrophobicContact CB-CD1 4.26Å; R63-I73 HydrophobicContact CB-CG1 4.1Å; R63-I73 WeakPolarHBondContact CB-O 3.29Å; R63-I73 HydrophobicContact CG-CD1 3.89Å; R63-I73 HydrophobicContact CG-CG1 4.21Å; R63-I73 PolarHBondContact N-O 3.35Å; R63-I73 VanDerWaalsContact N-O 3.07Å; R63-F75 HydrophobicContact CB-CD2 4.03Å; R63-F75 HydrophobicContact CB-CE2 3.74Å; R63-F75 HydrophobicContact CG-CD2 4.49Å; R63-F75 HydrophobicContact CG-CE2 3.72Å; R63-R142 WeakPolarHBondContact CD-O 3.38Å; R63-R142 PolarHBondContact NE-O 3.38Å; R63-E143 PolarHBondContact NH2-O 2.84Å; R63-S145 PolarHBondContact NE-OG 2.86Å; R63-S145 PolarHBondContact NH2-OG 3.01Å
64	K	91.9	Very high	91.6	Very high	22 Å²	22	34.7 Å²	34.7	10%	0.096	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	153.5	-168.1	-161.2	171.8	169.3	156.3	0	111.7	I73 F147 Q454 E478	K64-I73 HydrophobicContact CB-CG1 4.47Å; K64-I73 VanDerWaalsContact O-CG1 3.22Å; K64-I73 WeakPolarHBondContact O-CG1 3.37Å; K64-I73 PolarHBondContact O-N 3.36Å; K64-F147 HydrophobicContact CB-CE2 4.33Å; K64-F147 HydrophobicContact CD-CE2 4.09Å; K64-F147 HydrophobicContact CG-CE2 4.29Å; K64-Q454 PolarHBondContact NZ-O 2.82Å; K64-E478 WeakPolarHBondContact CD-OE2 3.29Å; K64-E478 WeakPolarHBondContact CE-OE1 3.28Å; K64-E478 VanDerWaalsContact CE-OE2 3.29Å; K64-E478 WeakPolarHBondContact CE-OE2 3.29Å; K64-E478 IonicContact NZ-OE1 3.06Å; K64-E478 PolarHBondContact NZ-OE1 2.91Å; K64-E478 IonicContact NZ-OE2 3.38Å; K64-E478 PolarHBondContact NZ-OE2 2.87Å
65	F	93.6	Very high	92	Very high	4 Å²	4	32 Å²	32	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	149.2	165.8	-70.5	-81.9	0	0	0	111.2	Y71 F72 Y87 F125 F147 T522 H524 P525 F529 I531	F65-Y71 CarbonylContact C-O 3.59Å; F65-Y71 WeakPolarHBondContact CA-O 3.48Å; F65-F72 HydrophobicContact CD1-CB 4.08Å; F65-F72 AromaticContact CD1-CD2 3.63Å; F65-F72 HydrophobicContact CD1-CD2 3.63Å; F65-F72 HydrophobicContact CD1-CG 4.35Å; F65-F72 AromaticContact CD2-CD2 3.9Å; F65-F72 HydrophobicContact CD2-CD2 3.9Å; F65-F72 HydrophobicContact CD2-CE2 4.12Å; F65-F72 HydrophobicContact CE1-CB 4.04Å; F65-F72 AromaticContact CE1-CD2 3.56Å; F65-F72 HydrophobicContact CE1-CD2 3.56Å; F65-F72 HydrophobicContact CE1-CE2 4.45Å; F65-F72 HydrophobicContact CE1-CG 4.16Å; F65-F72 AromaticContact CE2-CD2 3.82Å; F65-F72 HydrophobicContact CE2-CD2 3.82Å; F65-F72 AromaticContact CE2-CE2 3.93Å; F65-F72 HydrophobicContact CE2-CE2 3.93Å; F65-F72 AromaticContact CG-CD2 3.79Å; F65-F72 HydrophobicContact CG-CD2 3.79Å; F65-F72 HydrophobicContact CG-CE2 4.43Å; F65-F72 AromaticContact CZ-CD2 3.64Å; F65-F72 HydrophobicContact CZ-CD2 3.64Å; F65-F72 HydrophobicContact CZ-CE2 4.1Å; F65-F72 HydrophobicContact CZ-CG 4.49Å; F65-Y87 HydrophobicContact CE1-CD2 4.15Å; F65-Y87 HydrophobicContact CE1-CG 4.17Å; F65-F125 AromaticContact CE1-CE1 3.87Å; F65-F125 HydrophobicContact CE1-CE1 3.87Å; F65-F125 HydrophobicContact CE1-CZ 4.26Å; F65-F125 HydrophobicContact CZ-CE1 4.1Å; F65-F125 HydrophobicContact CZ-CZ 4.01Å; F65-F147 WeakPolarHBondContact O-CE2 3.41Å; F65-T522 HydrophobicContact CD2-CG2 3.73Å; F65-T522 HydrophobicContact CE2-CG2 3.97Å; F65-H524 AromaticContact CD1-CD2 3.71Å; F65-H524 AromaticContact CE1-CD2 3.63Å; F65-H524 HydrophobicContact CE2-CB 4.41Å; F65-P525 HydrophobicContact CB-CG 4.28Å; F65-F529 HydrophobicContact CE2-CD1 4.38Å; F65-F529 AromaticContact CZ-CD1 3.86Å; F65-F529 HydrophobicContact CZ-CD1 3.86Å; F65-F529 AromaticContact CZ-CE1 3.91Å; F65-F529 HydrophobicContact CZ-CE1 3.91Å; F65-I531 HydrophobicContact CE2-CD1 4.45Å; F65-I531 HydrophobicContact CZ-CD1 4.4Å
66	S	92.4	Very high	92.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.			trans	-59.3	154.2	162	55.2	0	0	0	0	110	D68 G69 R70 Y71	S66-D68 WeakPolarHBondContact CB-OD1 3.5Å; S66-D68 PolarHBondContact O-N 3.28Å; S66-D68 PolarHBondContact OG-OD1 2.98Å; S66-G69 WeakPolarHBondContact O-CA 3.31Å; S66-G69 PolarHBondContact O-N 3.45Å; S66-R70 PolarHBondContact OG-N 3.44Å; S66-Y71 PolarHBondContact N-O 2.99Å; S66-Y71 PolarHBondContact OG-N 2.85Å; S66-Y71 PolarHBondContact OG-O 3.28Å
67	P	88.7	Confident	92.3	Very high	16 Å²	16	30.1 Å²	30.1	10%	0.104	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.7	-177.3	-22.2	31.1	0	0	0	113.7	G69 F147 A406 V407	P67-G69 VanDerWaalsContact C-N 3.31Å; P67-F147 HydrophobicContact CG-CB 3.71Å; P67-F147 HydrophobicContact CG-CD2 4.41Å; P67-F147 HydrophobicContact CG-CG 4.14Å; P67-A406 HydrophobicContact CB-CB 4.31Å; P67-A406 WeakPolarHBondContact O-CB 3.26Å; P67-V407 HydrophobicContact CB-CG2 4.41Å
68	D	87.8	Confident	92.3	Very high	39 Å²	39	31.3 Å²	31.3	21%	0.209	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-7.5	173.6	71.7	-19.4	0	0	0	114.3	S66 R70 C151 F526	S66-D68 WeakPolarHBondContact CB-OD1 3.5Å; S66-D68 PolarHBondContact O-N 3.28Å; S66-D68 PolarHBondContact OG-OD1 2.98Å; D68-R70 PolarHBondContact O-N 2.93Å; D68-R70 PolarHBondContact OD1-N 2.8Å; D68-R70 VanDerWaalsContact OD2-CD 3.27Å; D68-R70 WeakPolarHBondContact OD2-CD 3.45Å; D68-R70 WeakPolarHBondContact OD2-CG 3.48Å; D68-R70 IonicContact OD2-NE 2.85Å; D68-C151 HydrophobicContact CB-CB 4.21Å; D68-F526 WeakPolarHBondContact O-CE2 3.38Å
69	G	90.1	Very high	92.4	Very high	2 Å²	2	31.3 Å²	31.3	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	77	-4.2	178.6	0	0	0	0	0	115.5	S66 P67 H524	S66-G69 WeakPolarHBondContact O-CA 3.31Å; S66-G69 PolarHBondContact O-N 3.45Å; P67-G69 VanDerWaalsContact C-N 3.31Å; G69-H524 WeakPolarHBondContact CA-NE2 3.39Å; G69-H524 PolarHBondContact O-NE2 2.86Å
70	R	92.3	Very high	92.6	Very high	163 Å²	163	28.3 Å²	28.3	62%	0.615	14%	0.138	S	C	*	.	S	Bend	trans	-74.1	-37.5	-174.9	-65.8	-174.6	-178.3	178.4	0.5	113.2	S66 D68 Y87	S66-R70 PolarHBondContact OG-N 3.44Å; D68-R70 PolarHBondContact O-N 2.93Å; D68-R70 PolarHBondContact OD1-N 2.8Å; D68-R70 VanDerWaalsContact OD2-CD 3.27Å; D68-R70 WeakPolarHBondContact OD2-CD 3.45Å; D68-R70 WeakPolarHBondContact OD2-CG 3.48Å; D68-R70 IonicContact OD2-NE 2.85Å; R70-Y87 PolarHBondContact O-N 3.16Å
71	Y	95.1	Very high	92.8	Very high	28 Å²	28	28.9 Å²	28.9	11%	0.11	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	148.1	-177.7	-55.9	-71.4	0	0	0	111	F65 S66 I84 Y85 L128 L198 H199	F65-Y71 CarbonylContact C-O 3.59Å; F65-Y71 WeakPolarHBondContact CA-O 3.48Å; S66-Y71 PolarHBondContact N-O 2.99Å; S66-Y71 PolarHBondContact OG-N 2.85Å; S66-Y71 PolarHBondContact OG-O 3.28Å; Y71-I84 HydrophobicContact CD1-CG2 4.15Å; Y71-Y85 CarbonylContact C-O 3.57Å; Y71-Y85 VanDerWaalsContact CA-O 3.27Å; Y71-Y85 WeakPolarHBondContact CA-O 3.49Å; Y71-L128 HydrophobicContact CD1-CD1 4.06Å; Y71-L128 HydrophobicContact CE1-CD1 3.63Å; Y71-L198 HydrophobicContact CD2-CB 4.22Å; Y71-L198 HydrophobicContact CD2-CD1 4.47Å; Y71-L198 HydrophobicContact CE2-CB 4.47Å; Y71-H199 AromaticContact CE2-CD2 3.44Å; Y71-H199 VanDerWaalsContact CE2-CD2 3.44Å; Y71-H199 WeakPolarHBondContact CE2-CD2 3.27Å; Y71-H199 AromaticContact CE2-NE2 3.54Å; Y71-H199 AromaticContact CZ-CD2 3.47Å; Y71-H199 VanDerWaalsContact CZ-CD2 3.47Å; Y71-H199 AromaticContact CZ-NE2 3.88Å; Y71-H199 PolarHBondContact OH-CD2 2.86Å; Y71-H199 PolarHBondContact OH-NE2 3.34Å
72	F	95.9	Very high	92.9	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.7	172.5	-174.5	-96.6	0	0	0	109.2	L62 F65 Y85 F125 T522 I531	L62-F72 HydrophobicContact CB-CE1 3.96Å; L62-F72 HydrophobicContact CB-CZ 3.83Å; L62-F72 HydrophobicContact CD2-CE1 3.8Å; L62-F72 HydrophobicContact CD2-CZ 4.48Å; L62-F72 HydrophobicContact CG-CE1 4.37Å; F65-F72 HydrophobicContact CD1-CB 4.08Å; F65-F72 AromaticContact CD1-CD2 3.63Å; F65-F72 HydrophobicContact CD1-CD2 3.63Å; F65-F72 HydrophobicContact CD1-CG 4.35Å; F65-F72 AromaticContact CD2-CD2 3.9Å; F65-F72 HydrophobicContact CD2-CD2 3.9Å; F65-F72 HydrophobicContact CD2-CE2 4.12Å; F65-F72 HydrophobicContact CE1-CB 4.04Å; F65-F72 AromaticContact CE1-CD2 3.56Å; F65-F72 HydrophobicContact CE1-CD2 3.56Å; F65-F72 HydrophobicContact CE1-CE2 4.45Å; F65-F72 HydrophobicContact CE1-CG 4.16Å; F65-F72 AromaticContact CE2-CD2 3.82Å; F65-F72 HydrophobicContact CE2-CD2 3.82Å; F65-F72 AromaticContact CE2-CE2 3.93Å; F65-F72 HydrophobicContact CE2-CE2 3.93Å; F65-F72 AromaticContact CG-CD2 3.79Å; F65-F72 HydrophobicContact CG-CD2 3.79Å; F65-F72 HydrophobicContact CG-CE2 4.43Å; F65-F72 AromaticContact CZ-CD2 3.64Å; F65-F72 HydrophobicContact CZ-CD2 3.64Å; F65-F72 HydrophobicContact CZ-CE2 4.1Å; F65-F72 HydrophobicContact CZ-CG 4.49Å; F72-Y85 HydrophobicContact CD1-CD2 4.48Å; F72-Y85 PolarHBondContact N-O 2.8Å; F72-Y85 PolarHBondContact O-N 3.11Å; F72-F125 HydrophobicContact CB-CD1 3.78Å; F72-F125 HydrophobicContact CB-CE1 3.54Å; F72-F125 HydrophobicContact CD1-CD1 4.21Å; F72-F125 HydrophobicContact CD1-CE1 4.02Å; F72-F125 HydrophobicContact CD1-CZ 4.49Å; F72-F125 HydrophobicContact CD2-CE1 4.15Å; F72-F125 HydrophobicContact CG-CD1 4.09Å; F72-F125 AromaticContact CG-CE1 3.61Å; F72-F125 HydrophobicContact CG-CE1 3.61Å; F72-F125 HydrophobicContact CG-CZ 4.28Å; F72-T522 HydrophobicContact CE2-CG2 4.13Å; F72-I531 HydrophobicContact CE2-CD1 3.88Å; F72-I531 HydrophobicContact CZ-CD1 3.85Å
73	I	96	Very high	93.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	140.2	179.6	59.5	161.5	0	0	0	111.2	R63 K64 L82 E83 F147 V154 L198	R63-I73 HydrophobicContact CB-CD1 4.26Å; R63-I73 HydrophobicContact CB-CG1 4.1Å; R63-I73 WeakPolarHBondContact CB-O 3.29Å; R63-I73 HydrophobicContact CG-CD1 3.89Å; R63-I73 HydrophobicContact CG-CG1 4.21Å; R63-I73 PolarHBondContact N-O 3.35Å; R63-I73 VanDerWaalsContact N-O 3.07Å; K64-I73 HydrophobicContact CB-CG1 4.47Å; K64-I73 VanDerWaalsContact O-CG1 3.22Å; K64-I73 WeakPolarHBondContact O-CG1 3.37Å; K64-I73 PolarHBondContact O-N 3.36Å; I73-L82 HydrophobicContact CB-CD1 4.23Å; I73-L82 HydrophobicContact CG2-CD2 4.44Å; I73-E83 WeakPolarHBondContact CA-O 3.28Å; I73-F147 HydrophobicContact CD1-CE1 4.43Å; I73-F147 HydrophobicContact CD1-CE2 4.38Å; I73-F147 HydrophobicContact CD1-CZ 3.7Å; I73-F147 HydrophobicContact CG1-CZ 3.96Å; I73-F147 HydrophobicContact CG2-CE1 4.4Å; I73-F147 HydrophobicContact CG2-CZ 4.43Å; I73-V154 HydrophobicContact CD1-CG2 4.26Å; I73-L198 HydrophobicContact CG2-CD2 3.93Å
74	A	95.8	Very high	93.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.6	169	0	0	0	0	0	110.2	C60 F61 L62 E83 Y85	C60-A74 HydrophobicContact CB-CB 4.07Å; F61-A74 CarbonylContact O-C 3.51Å; F61-A74 VanDerWaalsContact O-CA 3.25Å; F61-A74 WeakPolarHBondContact O-CA 3.18Å; F61-A74 WeakPolarHBondContact O-CB 3.45Å; L62-A74 HydrophobicContact CD2-CB 4.2Å; A74-E83 HydrophobicContact CB-CB 4.42Å; A74-E83 PolarHBondContact N-O 3.15Å; A74-E83 PolarHBondContact O-N 3.33Å; A74-Y85 HydrophobicContact CB-CD2 4.48Å; A74-Y85 HydrophobicContact CB-CE2 3.96Å
75	F	95.1	Very high	93.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	138.4	173.2	-62.5	-86.2	0	0	0	109.5	C60 F61 R63 L82 L140 R142 V156	C60-F75 CarbonylContact C-O 3.58Å; C60-F75 WeakPolarHBondContact CA-O 3.38Å; C60-F75 VanDerWaalsContact CB-O 3.28Å; C60-F75 WeakPolarHBondContact CB-O 3.45Å; F61-F75 HydrophobicContact CB-CB 4.38Å; F61-F75 PolarHBondContact N-O 3.08Å; F61-F75 PolarHBondContact O-N 3.46Å; R63-F75 HydrophobicContact CB-CD2 4.03Å; R63-F75 HydrophobicContact CB-CE2 3.74Å; R63-F75 HydrophobicContact CG-CD2 4.49Å; R63-F75 HydrophobicContact CG-CE2 3.72Å; F75-L82 HydrophobicContact CD1-CD1 3.93Å; F75-L82 HydrophobicContact CE1-CD1 3.76Å; F75-L82 HydrophobicContact CZ-CD1 4.2Å; F75-L140 HydrophobicContact CD1-CB 3.8Å; F75-L140 HydrophobicContact CD1-CD1 3.92Å; F75-L140 HydrophobicContact CD1-CG 4.44Å; F75-L140 HydrophobicContact CE1-CB 4.04Å; F75-L140 HydrophobicContact CE1-CD1 4.33Å; F75-R142 HydrophobicContact CB-CG 4.49Å; F75-R142 HydrophobicContact CD2-CB 4.12Å; F75-R142 HydrophobicContact CD2-CG 4.5Å; F75-R142 HydrophobicContact CE2-CB 4.46Å; F75-R142 WeakPolarHBondContact CE2-O 3.4Å; F75-V156 HydrophobicContact CE1-CB 4.47Å; F75-V156 HydrophobicContact CE1-CG1 4.19Å; F75-V156 HydrophobicContact CZ-CG1 4.31Å
76	S	94	Very high	93.6	Very high	8 Å²	8	28.2 Å²	28.2	6%	0.056	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	156.1	175	61.6	0	0	0	0	111.7	D78 Q79 T80 S81	S76-D78 WeakPolarHBondContact CB-OD1 3.44Å; S76-D78 PolarHBondContact O-N 2.9Å; S76-D78 PolarHBondContact OG-OD1 3.07Å; S76-Q79 WeakPolarHBondContact O-CA 3.42Å; S76-Q79 PolarHBondContact O-N 3.1Å; S76-Q79 PolarHBondContact OG-N 3.17Å; S76-T80 PolarHBondContact OG-N 3.36Å; S76-S81 PolarHBondContact N-O 2.91Å; S76-S81 PolarHBondContact OG-N 3.15Å; S76-S81 PolarHBondContact OG-O 3.03Å
77	S	90.4	Very high	93.8	Very high	64 Å²	64	29.1 Å²	29.1	45%	0.448	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.4	-179.2	46.9	0	0	0	0	114.2	P59 Q79	P59-S77 WeakPolarHBondContact O-CA 3.41Å; P59-S77 WeakPolarHBondContact O-CB 3.33Å; P59-S77 PolarHBondContact O-N 2.96Å; P59-S77 PolarHBondContact O-OG 2.9Å; S77-Q79 VanDerWaalsContact C-N 3.31Å
78	D	90.7	Very high	94	Very high	84 Å²	84	32.7 Å²	32.7	45%	0.449	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-6.5	174.2	66.4	-18.3	0	0	0	113.3	S76 T80	S76-D78 WeakPolarHBondContact CB-OD1 3.44Å; S76-D78 PolarHBondContact O-N 2.9Å; S76-D78 PolarHBondContact OG-OD1 3.07Å; D78-T80 HydrophobicContact CB-CG2 4.23Å; D78-T80 PolarHBondContact O-N 3.24Å; D78-T80 PolarHBondContact OD1-N 2.71Å; D78-T80 PolarHBondContact OD1-OG1 3.29Å; D78-T80 VanDerWaalsContact OD1-OG1 3.12Å; D78-T80 VanDerWaalsContact OD2-CG2 3.24Å; D78-T80 WeakPolarHBondContact OD2-CG2 3.49Å; D78-T80 PolarHBondContact OD2-OG1 2.94Å
79	Q	91.9	Very high	94.1	Very high	43 Å²	43	31.3 Å²	31.3	20%	0.201	16%	0.155	C	C	.	.	S	Bend	trans	59.9	26.6	-178.9	-58.4	167.4	100.2	0	0	114.2	F61 S76 S77 H139 L140 R142	F61-Q79 HydrophobicContact CE2-CG 4.48Å; S76-Q79 WeakPolarHBondContact O-CA 3.42Å; S76-Q79 PolarHBondContact O-N 3.1Å; S76-Q79 PolarHBondContact OG-N 3.17Å; S77-Q79 VanDerWaalsContact C-N 3.31Å; Q79-H139 HydrophobicContact CB-CB 4.26Å; Q79-L140 HydrophobicContact CB-CB 4.48Å; Q79-L140 WeakPolarHBondContact O-CB 3.37Å; Q79-L140 WeakPolarHBondContact O-CG 3.36Å; Q79-L140 PolarHBondContact O-N 3.07Å; Q79-L140 PolarHBondContact OE1-O 2.73Å; Q79-R142 HydrophobicContact CG-CG 4.3Å
80	T	93.4	Very high	93.8	Very high	30 Å²	30	32.1 Å²	32.1	18%	0.184	16%	0.16	C	C	.	.	S	Bend	trans	-93.5	-28.3	177.4	63.1	0	0	0	0	112.2	S76 D78 N132 V133 A134	S76-T80 PolarHBondContact OG-N 3.36Å; D78-T80 HydrophobicContact CB-CG2 4.23Å; D78-T80 PolarHBondContact O-N 3.24Å; D78-T80 PolarHBondContact OD1-N 2.71Å; D78-T80 PolarHBondContact OD1-OG1 3.29Å; D78-T80 VanDerWaalsContact OD1-OG1 3.12Å; D78-T80 VanDerWaalsContact OD2-CG2 3.24Å; D78-T80 WeakPolarHBondContact OD2-CG2 3.49Å; D78-T80 PolarHBondContact OD2-OG1 2.94Å; T80-N132 PolarHBondContact O-OD1 3.35Å; T80-V133 PolarHBondContact O-N 3.29Å; T80-A134 PolarHBondContact O-N 3.39Å
81	S	94.5	Very high	93.4	Very high	13 Å²	13	32.1 Å²	32.1	9%	0.091	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.2	-166.7	-56.5	0	0	0	0	112.2	S76 T131 N132	S76-S81 PolarHBondContact N-O 2.91Å; S76-S81 PolarHBondContact OG-N 3.15Å; S76-S81 PolarHBondContact OG-O 3.03Å; S81-T131 CarbonylContact C-O 3.54Å; S81-T131 WeakPolarHBondContact CA-O 3.19Å; S81-T131 WeakPolarHBondContact CB-O 3.38Å; S81-N132 WeakPolarHBondContact OG-CA 3.41Å
82	L	96	Very high	93	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.4	169.2	-170.2	74.2	0	0	0	109.3	I73 F75 I84 T131 V154 V156 I196	I73-L82 HydrophobicContact CB-CD1 4.23Å; I73-L82 HydrophobicContact CG2-CD2 4.44Å; F75-L82 HydrophobicContact CD1-CD1 3.93Å; F75-L82 HydrophobicContact CE1-CD1 3.76Å; F75-L82 HydrophobicContact CZ-CD1 4.2Å; L82-I84 HydrophobicContact CD2-CG1 4.29Å; L82-I84 HydrophobicContact CG-CG1 4.47Å; L82-T131 PolarHBondContact N-O 2.85Å; L82-T131 PolarHBondContact O-N 3.25Å; L82-V154 HydrophobicContact CD2-CG1 3.68Å; L82-V156 HydrophobicContact CD1-CG1 4.31Å; L82-V156 HydrophobicContact CD2-CG1 4.31Å; L82-I196 HydrophobicContact CB-CD1 4.08Å; L82-I196 HydrophobicContact CD2-CD1 3.64Å; L82-I196 HydrophobicContact CG-CD1 4.5Å
83	E	96.3	Very high	92.4	Very high	18 Å²	18	32.1 Å²	32.1	8%	0.084	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.3	174.2	-62	171.7	-165.2	0	0	109.2	C60 I73 A74 Y85 L127 I130	C60-E83 WeakPolarHBondContact CB-OE2 3.38Å; I73-E83 WeakPolarHBondContact CA-O 3.28Å; A74-E83 HydrophobicContact CB-CB 4.42Å; A74-E83 PolarHBondContact N-O 3.15Å; A74-E83 PolarHBondContact O-N 3.33Å; E83-Y85 HydrophobicContact CB-CD2 4.3Å; E83-Y85 HydrophobicContact CB-CE2 3.53Å; E83-Y85 WeakPolarHBondContact OE2-CE2 3.34Å; E83-Y85 PolarHBondContact OE2-OH 2.83Å; E83-L127 HydrophobicContact CB-CD1 4.13Å; E83-I130 HydrophobicContact CG-CG1 4.45Å
84	I	96.9	Very high	91.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	117.1	-178.7	-57.7	161.5	0	0	0	108	Y71 L82 L128 H129 I196 L198	Y71-I84 HydrophobicContact CD1-CG2 4.15Å; L82-I84 HydrophobicContact CD2-CG1 4.29Å; L82-I84 HydrophobicContact CG-CG1 4.47Å; I84-L128 PolarHBondContact O-N 2.95Å; I84-H129 HydrophobicContact CB-CB 4.32Å; I84-H129 HydrophobicContact CD1-CB 4.21Å; I84-H129 PolarHBondContact N-O 2.84Å; I84-H129 PolarHBondContact O-N 3.15Å; I84-I196 HydrophobicContact CD1-CG2 4.17Å; I84-L198 HydrophobicContact CD1-CD2 4.11Å; I84-L198 HydrophobicContact CG1-CD2 4.13Å; I84-L198 HydrophobicContact CG2-CD2 4.17Å
85	Y	96.7	Very high	91.2	Very high	7 Å²	7	37.7 Å²	37.7	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.7	179.5	-63.1	-93.2	0	0	0	110.7	Y71 F72 A74 E83 F121 F125 V126 L127	Y71-Y85 CarbonylContact C-O 3.57Å; Y71-Y85 VanDerWaalsContact CA-O 3.27Å; Y71-Y85 WeakPolarHBondContact CA-O 3.49Å; F72-Y85 HydrophobicContact CD1-CD2 4.48Å; F72-Y85 PolarHBondContact N-O 2.8Å; F72-Y85 PolarHBondContact O-N 3.11Å; A74-Y85 HydrophobicContact CB-CD2 4.48Å; A74-Y85 HydrophobicContact CB-CE2 3.96Å; E83-Y85 HydrophobicContact CB-CD2 4.3Å; E83-Y85 HydrophobicContact CB-CE2 3.53Å; E83-Y85 WeakPolarHBondContact OE2-CE2 3.34Å; E83-Y85 PolarHBondContact OE2-OH 2.83Å; Y85-F121 HydrophobicContact CD1-CE1 4.18Å; Y85-F121 AromaticContact CE1-CE1 3.67Å; Y85-F121 HydrophobicContact CE1-CE1 3.67Å; Y85-F121 HydrophobicContact CE1-CZ 4.17Å; Y85-F125 HydrophobicContact CD1-CB 3.76Å; Y85-F125 HydrophobicContact CG-CB 4.06Å; Y85-V126 CarbonylContact C-O 3.59Å; Y85-V126 VanDerWaalsContact CA-O 3.28Å; Y85-V126 WeakPolarHBondContact CA-O 3.25Å; Y85-L127 HydrophobicContact CD1-CB 3.92Å; Y85-L127 HydrophobicContact CD1-CD1 4.06Å; Y85-L127 HydrophobicContact CD2-CD1 4.48Å; Y85-L127 HydrophobicContact CE1-CB 3.74Å; Y85-L127 HydrophobicContact CE1-CD1 3.71Å; Y85-L127 HydrophobicContact CE1-CG 4.27Å; Y85-L127 HydrophobicContact CE2-CD1 4.14Å; Y85-L127 HydrophobicContact CG-CD1 4.44Å
86	E	96.3	Very high	90.6	Very high	77 Å²	77	39 Å²	39	36%	0.36	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	129.6	166.6	-168.8	177.6	-156.2	0	0	110	Q88 F125 V126 L128	E86-Q88 PolarHBondContact OE2-NE2 3.46Å; E86-F125 WeakPolarHBondContact O-CA 3.24Å; E86-V126 PolarHBondContact N-O 3.38Å; E86-V126 PolarHBondContact O-N 2.82Å; E86-L128 HydrophobicContact CB-CD1 3.75Å; E86-L128 HydrophobicContact CB-CD2 4.21Å; E86-L128 HydrophobicContact CB-CG 3.84Å; E86-L128 HydrophobicContact CG-CD1 4.45Å
87	Y	95.5	Very high	90	Very high	20 Å²	20	38.6 Å²	38.6	8%	0.078	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	119.2	176.1	-177.3	-117.5	0	0	0	110.9	F65 R70 G89 C90 F124 F125 H524 E527 F529	F65-Y87 HydrophobicContact CE1-CD2 4.15Å; F65-Y87 HydrophobicContact CE1-CG 4.17Å; R70-Y87 PolarHBondContact O-N 3.16Å; Y87-G89 VanDerWaalsContact C-N 3.28Å; Y87-G89 VanDerWaalsContact CE1-CA 3.4Å; Y87-G89 PolarHBondContact O-N 3.48Å; Y87-C90 WeakPolarHBondContact OH-CA 3.41Å; Y87-C90 PolarHBondContact OH-N 3.49Å; Y87-F124 WeakPolarHBondContact CA-O 3.32Å; Y87-F124 WeakPolarHBondContact CD2-O 3.1Å; Y87-F124 HydrophobicContact CE2-CB 4.32Å; Y87-F124 AromaticContact CE2-CD1 3.84Å; Y87-F124 HydrophobicContact CE2-CD1 3.84Å; Y87-F124 HydrophobicContact CE2-CG 4.46Å; Y87-F125 HydrophobicContact CD2-CD1 4.24Å; Y87-F125 AromaticContact CD2-CE1 3.67Å; Y87-F125 HydrophobicContact CD2-CE1 3.67Å; Y87-F125 HydrophobicContact CD2-CZ 4.08Å; Y87-F125 HydrophobicContact CE2-CE1 4.42Å; Y87-F125 HydrophobicContact CE2-CZ 4.39Å; Y87-H524 AromaticContact CD1-CD2 3.68Å; Y87-H524 AromaticContact CD1-NE2 3.38Å; Y87-H524 WeakPolarHBondContact CD1-NE2 3.43Å; Y87-H524 AromaticContact CE1-CD2 3.6Å; Y87-H524 AromaticContact CE1-NE2 3.58Å; Y87-E527 HydrophobicContact CE1-CB 4.45Å; Y87-E527 WeakPolarHBondContact CE1-OE2 3.15Å; Y87-F529 HydrophobicContact CE2-CD1 4.05Å; Y87-F529 HydrophobicContact CE2-CE1 4.22Å; Y87-F529 HydrophobicContact CE2-CG 4.21Å; Y87-F529 WeakPolarHBondContact OH-CB 3.5Å; Y87-F529 VanDerWaalsContact OH-CG 3.26Å; Y87-F529 WeakPolarHBondContact OH-CG 3.4Å
88	Q	94	Very high	89.4	Confident	90 Å²	90	41.5 Å²	41.5	42%	0.421	21%	0.212	S	C	.	.			trans	-84.7	2.2	-175.8	-61.5	-62	-50.9	0	0	114.1	E86 A92 R123 F124 V126	E86-Q88 PolarHBondContact OE2-NE2 3.46Å; Q88-A92 HydrophobicContact CB-CB 3.77Å; Q88-R123 WeakPolarHBondContact CB-O 3.5Å; Q88-F124 PolarHBondContact N-O 3.37Å; Q88-V126 HydrophobicContact CG-CG2 3.67Å
89	G	89.3	Confident	88.4	Confident	11 Å²	11	40.3 Å²	40.3	11%	0.113	22%	0.219	C	C	.	.			trans	93	162.9	179.2	0	0	0	0	0	114.5	Y87 Q91 A92 F124 E527	Y87-G89 VanDerWaalsContact C-N 3.28Å; Y87-G89 VanDerWaalsContact CE1-CA 3.4Å; Y87-G89 PolarHBondContact O-N 3.48Å; G89-Q91 PolarHBondContact O-N 2.87Å; G89-A92 WeakPolarHBondContact O-CB 3.48Å; G89-A92 PolarHBondContact O-N 3.49Å; G89-F124 WeakPolarHBondContact O-CD1 3.34Å; G89-F124 VanDerWaalsContact O-CE1 3.3Å; G89-F124 WeakPolarHBondContact O-CE1 3.4Å; G89-E527 WeakPolarHBondContact CA-OE2 3.16Å
90	C	83.7	Confident	87.6	Confident	19 Å²	19	41 Å²	41	13%	0.128	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.9	-173.9	58.2	0	0	0	0	114.9	Y87 E527 P528	Y87-C90 WeakPolarHBondContact OH-CA 3.41Å; Y87-C90 PolarHBondContact OH-N 3.49Å; C90-E527 WeakPolarHBondContact CB-OE2 3.28Å; C90-E527 PolarHBondContact N-OE2 3.01Å; C90-E527 PolarHBondContact SG-OE2 2.85Å; C90-P528 HydrophobicContact CB-CG 4.05Å
91	Q	84.4	Confident	86.5	Confident	163 Å²	163	48.1 Å²	48.1	76%	0.762	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.1	179.4	-65.1	-179.7	-12.9	0	0	113.6	G89 A93 E94	G89-Q91 PolarHBondContact O-N 2.87Å; Q91-A93 PolarHBondContact O-N 3.35Å; Q91-E94 WeakPolarHBondContact O-CB 3.49Å; Q91-E94 PolarHBondContact O-N 2.81Å
92	A	85.8	Confident	85.6	Confident	28 Å²	28	49.1 Å²	49.1	23%	0.231	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.5	-169.6	0	0	0	0	0	114.7	Q88 G89 R123 F124	Q88-A92 HydrophobicContact CB-CB 3.77Å; G89-A92 WeakPolarHBondContact O-CB 3.48Å; G89-A92 PolarHBondContact O-N 3.49Å; A92-R123 WeakPolarHBondContact CB-O 3.47Å; A92-F124 HydrophobicContact CB-CD1 4.28Å; A92-F124 HydrophobicContact CB-CE1 4.42Å
93	A	84.3	Confident	84.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	9.3	179.1	0	0	0	0	0	113.7	Q91 D95 L96 L97 L120 R123 F124	Q91-A93 PolarHBondContact O-N 3.35Å; A93-D95 VanDerWaalsContact C-N 3.27Å; A93-D95 PolarHBondContact O-N 2.76Å; A93-L96 WeakPolarHBondContact O-CB 3.47Å; A93-L96 PolarHBondContact O-N 2.94Å; A93-L96 VanDerWaalsContact O-N 3.13Å; A93-L97 PolarHBondContact O-N 2.97Å; A93-L120 HydrophobicContact CB-CD1 4.08Å; A93-R123 HydrophobicContact CB-CB 4.22Å; A93-F124 HydrophobicContact CB-CD2 4.32Å; A93-F124 HydrophobicContact CB-CE1 4.45Å; A93-F124 HydrophobicContact CB-CE2 3.56Å; A93-F124 HydrophobicContact CB-CZ 3.63Å
94	E	83.1	Confident	83.7	Confident	44 Å²	44	57.4 Å²	57.4	21%	0.206	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-34	-176	-170	72	162	0	0	111.8	Q91 L96 L97 Q98 H548 S549	Q91-E94 WeakPolarHBondContact O-CB 3.49Å; Q91-E94 PolarHBondContact O-N 2.81Å; E94-L96 VanDerWaalsContact C-N 3.26Å; E94-L96 PolarHBondContact O-N 3.28Å; E94-L97 PolarHBondContact O-N 2.99Å; E94-L97 VanDerWaalsContact O-N 3.1Å; E94-Q98 WeakPolarHBondContact O-CG 3.48Å; E94-Q98 PolarHBondContact O-N 3.37Å; E94-Q98 VanDerWaalsContact O-N 3.11Å; E94-H548 VanDerWaalsContact CD-ND1 3.29Å; E94-H548 IonicContact OE1-CE1 2.7Å; E94-H548 IonicContact OE1-ND1 3.89Å; E94-H548 PolarHBondContact OE1-ND1 3.03Å; E94-H548 IonicContact OE2-CE1 3.78Å; E94-H548 IonicContact OE2-CG 3.73Å; E94-H548 IonicContact OE2-ND1 3.28Å; E94-H548 PolarHBondContact OE2-ND1 2.79Å; E94-S549 WeakPolarHBondContact OE1-CA 3.36Å; E94-S549 WeakPolarHBondContact OE1-CB 3.43Å; E94-S549 PolarHBondContact OE1-N 2.77Å
95	D	83.3	Confident	82.9	Confident	73 Å²	73	57.4 Å²	57.4	39%	0.39	30%	0.304	S	S	.	.	H	α-helix	trans	-56.9	-38.3	173.7	66.7	-39.2	0	0	0	112.5	A93 L97 R123	A93-D95 VanDerWaalsContact C-N 3.27Å; A93-D95 PolarHBondContact O-N 2.76Å; D95-L97 VanDerWaalsContact C-N 3.33Å; D95-R123 IonicContact OD2-CZ 2.94Å; D95-R123 IonicContact OD2-NH2 3.47Å; D95-R123 PolarHBondContact OD2-NH2 3.16Å
96	L	81.6	Confident	81.8	Confident	26 Å²	26	59.1 Å²	59.1	14%	0.136	32%	0.32	C	S	.	.	H	α-helix	trans	-73.2	-27.7	178.6	-62.3	-179.9	0	0	0	112.6	A93 E94 R119 R123	A93-L96 WeakPolarHBondContact O-CB 3.47Å; A93-L96 PolarHBondContact O-N 2.94Å; A93-L96 VanDerWaalsContact O-N 3.13Å; E94-L96 VanDerWaalsContact C-N 3.26Å; E94-L96 PolarHBondContact O-N 3.28Å; L96-R119 HydrophobicContact CD1-CB 4Å; L96-R123 HydrophobicContact CD1-CG 3.73Å
97	L	81.2	Confident	80.3	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-93.2	-6.3	-176.3	-61.5	177.2	0	0	0	113.2	F50 A93 E94 D95 G99 Y100 I116 M546 H548	F50-L97 HydrophobicContact CD1-CD1 4.03Å; F50-L97 HydrophobicContact CE1-CD1 4.03Å; F50-L97 HydrophobicContact CE1-CD2 3.78Å; F50-L97 HydrophobicContact CZ-CD2 4.36Å; A93-L97 PolarHBondContact O-N 2.97Å; E94-L97 PolarHBondContact O-N 2.99Å; E94-L97 VanDerWaalsContact O-N 3.1Å; D95-L97 VanDerWaalsContact C-N 3.33Å; L97-G99 PolarHBondContact O-N 3.48Å; L97-Y100 WeakPolarHBondContact O-CB 3.04Å; L97-Y100 PolarHBondContact O-N 2.85Å; L97-I116 HydrophobicContact CD2-CD1 4.47Å; L97-I116 HydrophobicContact CD2-CG2 3.83Å; L97-M546 HydrophobicContact CD1-SD 3.73Å; L97-H548 VanDerWaalsContact CB-CE1 3.47Å; L97-H548 WeakPolarHBondContact CB-CE1 3.08Å; L97-H548 PolarHBondContact O-CE1 3.05Å; L97-H548 PolarHBondContact O-NE2 2.85Å
98	Q	78.1	Confident	78.7	Confident	125 Å²	125	59.3 Å²	59.3	58%	0.584	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	126.3	179.2	-76.4	-177.7	-2.6	0	0	112.5	E94 Y100 R112	E94-Q98 WeakPolarHBondContact O-CG 3.48Å; E94-Q98 PolarHBondContact O-N 3.37Å; E94-Q98 VanDerWaalsContact O-N 3.11Å; Q98-Y100 VanDerWaalsContact C-N 3.35Å; Q98-R112 PolarHBondContact O-NH2 2.87Å
99	G	71.2	Confident	77.3	Confident	59 Å²	59	62.4 Å²	62.4	61%	0.608	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	21.9	-179.7	0	0	0	0	0	114.2	L97 R112	L97-G99 PolarHBondContact O-N 3.48Å; G99-R112 PolarHBondContact O-NH1 3.34Å
100	Y	73.8	Confident	76.9	Confident	59 Å²	59	67.1 Å²	67.1	23%	0.231	37%	0.373	C	S	.	.			trans	-97.9	114.3	161.8	-166.7	-90.8	0	0	0	109.3	F50 L97 Q98 I104 L105 H548	F50-Y100 AromaticContact CE2-CD1 3.59Å; F50-Y100 HydrophobicContact CE2-CD1 3.59Å; F50-Y100 AromaticContact CE2-CE1 3.7Å; F50-Y100 HydrophobicContact CE2-CE1 3.7Å; F50-Y100 AromaticContact CZ-CD1 3.58Å; F50-Y100 HydrophobicContact CZ-CD1 3.58Å; F50-Y100 AromaticContact CZ-CE1 3.74Å; F50-Y100 HydrophobicContact CZ-CE1 3.74Å; F50-Y100 HydrophobicContact CZ-CG 4.47Å; L97-Y100 WeakPolarHBondContact O-CB 3.04Å; L97-Y100 PolarHBondContact O-N 2.85Å; Q98-Y100 VanDerWaalsContact C-N 3.35Å; Y100-I104 PolarHBondContact OH-O 3.35Å; Y100-L105 HydrophobicContact CD2-CD1 3.95Å; Y100-L105 HydrophobicContact CE1-CD1 4.27Å; Y100-L105 HydrophobicContact CE2-CD1 3.55Å; Y100-L105 HydrophobicContact CG-CD1 4.47Å; Y100-H548 PolarHBondContact O-NE2 3.37Å
101	E	70.5	Confident	76.7	Confident	178 Å²	178	73.6 Å²	73.6	83%	0.832	40%	0.401	S	S	*	.			trans	-94.3	115.4	174.3	-67.3	-172.7	173.6	0	0	109.6
102	G	75.4	Confident	76.5	Confident	34 Å²	34	72 Å²	72	35%	0.351	39%	0.388	S	S	.	.	S	Bend	trans	155.4	176.1	174.5	0	0	0	0	0	113.3	F50	F50-G102 VanDerWaalsContact CD2-O 3.25Å; F50-G102 WeakPolarHBondContact CD2-O 3.39Å; F50-G102 WeakPolarHBondContact CE2-O 3.34Å
103	E	74.1	Confident	76.2	Confident	138 Å²	138	71.1 Å²	71.1	65%	0.645	38%	0.38	S	S	*	.	S	Bend	trans	-100.6	-17.3	-179.8	-61.7	-178.2	167.8	0	0	112.4	F50 T51	F50-E103 WeakPolarHBondContact CA-O 3.36Å; F50-E103 WeakPolarHBondContact CD2-O 3.4Å; T51-E103 PolarHBondContact N-O 2.92Å
104	I	79.2	Confident	76.2	Confident	54 Å²	54	73.4 Å²	73.4	28%	0.277	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	127.1	-174.2	-53.5	177.5	0	0	0	110.4	T51 V53 Y100 A106 Q503	T51-I104 CarbonylContact O-C 3.46Å; T51-I104 WeakPolarHBondContact O-CA 3.16Å; V53-I104 HydrophobicContact CG2-CG2 4.1Å; Y100-I104 PolarHBondContact OH-O 3.35Å; I104-A106 PolarHBondContact O-N 2.95Å; I104-Q503 HydrophobicContact CD1-CB 4.2Å; I104-Q503 HydrophobicContact CD1-CG 4.25Å
105	L	78.6	Confident	76.3	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	94.3	160.6	-164.8	100.5	0	0	0	108.1	F50 T51 V52 V53 Y100 I116 R117	F50-L105 HydrophobicContact CE1-CB 4.17Å; F50-L105 HydrophobicContact CZ-CB 3.89Å; T51-L105 PolarHBondContact O-N 2.73Å; V52-L105 HydrophobicContact CG1-CB 4.38Å; V52-L105 HydrophobicContact CG1-CD2 3.77Å; V52-L105 HydrophobicContact CG2-CB 4.16Å; V53-L105 PolarHBondContact N-O 3.33Å; V53-L105 VanDerWaalsContact N-O 3.14Å; Y100-L105 HydrophobicContact CD2-CD1 3.95Å; Y100-L105 HydrophobicContact CE1-CD1 4.27Å; Y100-L105 HydrophobicContact CE2-CD1 3.55Å; Y100-L105 HydrophobicContact CG-CD1 4.47Å; L105-I116 HydrophobicContact CD1-CD1 4.28Å; L105-I116 HydrophobicContact CD2-CB 4.4Å; L105-I116 HydrophobicContact CD2-CG2 4.11Å; L105-R117 HydrophobicContact CD2-CG 3.88Å
106	A	73.5	Confident	76.4	Confident	44 Å²	44	72.3 Å²	72.3	36%	0.364	39%	0.389	S	S	.	.			trans	-73.4	173.8	179.2	0	0	0	0	0	111.7	I104 G108	I104-A106 PolarHBondContact O-N 2.95Å; A106-G108 PolarHBondContact O-N 2.82Å
107	N	65.2	Low	76.6	Confident	75 Å²	75	71.9 Å²	71.9	40%	0.401	39%	0.386	S	S	.	.	S	Bend	trans	-70.6	47.1	177.3	-121.1	18.8	0	0	0	112.4	N54 R117	N54-N107 WeakPolarHBondContact CB-OD1 3.29Å; N54-N107 PolarHBondContact ND2-OD1 2.89Å; N107-R117 PolarHBondContact OD1-NH1 3.2Å
108	G	63.4	Low	76.9	Confident	26 Å²	26	73 Å²	73	27%	0.268	40%	0.397	S	S	.	.			trans	-70.9	148.2	174.7	0	0	0	0	0	111.4	A106 D110 R117	A106-G108 PolarHBondContact O-N 2.82Å; G108-D110 PolarHBondContact O-N 2.79Å; G108-R117 PolarHBondContact O-NH2 3.14Å; G108-R117 VanDerWaalsContact O-NH2 3.11Å
109	N	64.3	Low	77.4	Confident	154 Å²	154	71.8 Å²	71.8	82%	0.824	39%	0.387	S	S	*	.			trans	-85.1	10.2	178.1	-73	-11.4	0	0	0	113	Q111	N109-Q111 PolarHBondContact O-N 2.85Å
110	D	79.7	Confident	78.3	Confident	110 Å²	110	69 Å²	69	59%	0.588	36%	0.358	S	S	*	.			trans	-64.8	133.4	178.1	-55.9	-40	0	0	0	110.1	G108 R112 S113 V114	G108-D110 PolarHBondContact O-N 2.79Å; D110-R112 PolarHBondContact O-N 2.79Å; D110-S113 PolarHBondContact O-N 3.17Å; D110-V114 PolarHBondContact O-N 3.38Å
111	Q	79.1	Confident	79.2	Confident	156 Å²	156	66.4 Å²	66.4	73%	0.729	35%	0.348	S	S	*	.	H	α-helix	trans	-54	-33.9	-178.5	-171	61.9	43.6	0	0	112.3	N109 N115	N109-Q111 PolarHBondContact O-N 2.85Å; Q111-N115 WeakPolarHBondContact O-CB 3.19Å; Q111-N115 PolarHBondContact O-N 3.24Å; Q111-N115 VanDerWaalsContact O-N 3.09Å
112	R	80.4	Confident	80.2	Confident	130 Å²	130	64.5 Å²	64.5	49%	0.491	34%	0.339	S	S	.	.	H	α-helix	trans	-66.2	-46.5	175.9	-169.7	178.5	-177.3	-165.2	-1.6	111.9	Q98 G99 D110 N115 I116	Q98-R112 PolarHBondContact O-NH2 2.87Å; G99-R112 PolarHBondContact O-NH1 3.34Å; D110-R112 PolarHBondContact O-N 2.79Å; R112-N115 PolarHBondContact O-N 3.08Å; R112-I116 HydrophobicContact CG-CD1 4.12Å; R112-I116 WeakPolarHBondContact O-CG1 3.4Å; R112-I116 PolarHBondContact O-N 3.47Å
113	S	80.9	Confident	80.9	Confident	8 Å²	8	67 Å²	67	6%	0.056	34%	0.338	C	S	.	.	H	α-helix	trans	-67.5	-34.7	179.7	-56.3	0	0	0	0	112.4	D110 R117	D110-S113 PolarHBondContact O-N 3.17Å; S113-R117 VanDerWaalsContact O-CG 3.32Å; S113-R117 WeakPolarHBondContact O-CG 3.46Å; S113-R117 PolarHBondContact O-N 3.12Å; S113-R117 VanDerWaalsContact O-N 3.17Å; S113-R117 PolarHBondContact O-NE 2.94Å
114	V	83.6	Confident	81.8	Confident	48 Å²	48	60.5 Å²	60.5	29%	0.291	31%	0.308	S	S	.	.	H	α-helix	trans	-63.2	-49.7	170.5	178.4	0	0	0	0	110.7	D110 I116 R117 G118	D110-V114 PolarHBondContact O-N 3.38Å; V114-I116 PolarHBondContact O-N 2.89Å; V114-R117 PolarHBondContact O-N 2.88Å; V114-G118 PolarHBondContact O-N 2.97Å
115	N	85.7	Confident	82.6	Confident	86 Å²	86	58.1 Å²	58.1	46%	0.46	30%	0.295	S	S	.	.	H	α-helix	trans	-61.4	-42.7	-179.6	-169.4	-6.8	0	0	0	112.3	Q111 R112 R117 G118 R119	Q111-N115 WeakPolarHBondContact O-CB 3.19Å; Q111-N115 PolarHBondContact O-N 3.24Å; Q111-N115 VanDerWaalsContact O-N 3.09Å; R112-N115 PolarHBondContact O-N 3.08Å; N115-R117 PolarHBondContact O-N 2.79Å; N115-G118 PolarHBondContact O-N 3.12Å; N115-R119 PolarHBondContact O-N 2.94Å; N115-R119 VanDerWaalsContact O-N 3.14Å; N115-R119 WeakPolarHBondContact OD1-CD 3.5Å
116	I	85.6	Confident	83.4	Confident	8 Å²	8	61 Å²	61	4%	0.041	31%	0.313	C	S	.	.	H	α-helix	trans	-58.8	-50.4	175.7	-68.5	166.2	0	0	0	110.2	L97 L105 R112 V114 G118 R119 L120	L97-I116 HydrophobicContact CD2-CD1 4.47Å; L97-I116 HydrophobicContact CD2-CG2 3.83Å; L105-I116 HydrophobicContact CD1-CD1 4.28Å; L105-I116 HydrophobicContact CD2-CB 4.4Å; L105-I116 HydrophobicContact CD2-CG2 4.11Å; R112-I116 HydrophobicContact CG-CD1 4.12Å; R112-I116 WeakPolarHBondContact O-CG1 3.4Å; R112-I116 PolarHBondContact O-N 3.47Å; V114-I116 PolarHBondContact O-N 2.89Å; I116-G118 VanDerWaalsContact C-N 3.31Å; I116-G118 PolarHBondContact O-N 3.06Å; I116-R119 PolarHBondContact O-N 3.09Å; I116-L120 HydrophobicContact CG2-CD1 4.06Å; I116-L120 WeakPolarHBondContact O-CB 3.32Å; I116-L120 PolarHBondContact O-N 2.73Å
117	R	85.9	Confident	84.5	Confident	18 Å²	18	62.7 Å²	62.7	7%	0.068	32%	0.315	C	S	.	.	H	α-helix	trans	-61.8	-36.3	-179.8	-72.9	177	-63.2	176.7	-0	113.4	V52 V53 E56 L105 N107 G108 S113 V114 N115	V52-R117 HydrophobicContact CG1-CG 3.91Å; V53-R117 WeakPolarHBondContact O-CD 3.37Å; E56-R117 PolarHBondContact N-O 2.81Å; L105-R117 HydrophobicContact CD2-CG 3.88Å; N107-R117 PolarHBondContact OD1-NH1 3.2Å; G108-R117 PolarHBondContact O-NH2 3.14Å; G108-R117 VanDerWaalsContact O-NH2 3.11Å; S113-R117 VanDerWaalsContact O-CG 3.32Å; S113-R117 WeakPolarHBondContact O-CG 3.46Å; S113-R117 PolarHBondContact O-N 3.12Å; S113-R117 VanDerWaalsContact O-N 3.17Å; S113-R117 PolarHBondContact O-NE 2.94Å; V114-R117 PolarHBondContact O-N 2.88Å; N115-R117 PolarHBondContact O-N 2.79Å
118	G	86.6	Confident	85.9	Confident	22 Å²	22	62 Å²	62	23%	0.227	31%	0.312	C	S	.	.	H	α-helix	trans	-66.8	-38.1	177.9	0	0	0	0	0	113.6	E56 V114 N115 I116	E56-G118 VanDerWaalsContact OE2-CA 3.31Å; E56-G118 WeakPolarHBondContact OE2-CA 3.24Å; V114-G118 PolarHBondContact O-N 2.97Å; N115-G118 PolarHBondContact O-N 3.12Å; I116-G118 VanDerWaalsContact C-N 3.31Å; I116-G118 PolarHBondContact O-N 3.06Å
119	R	89.3	Confident	87.4	Confident	100 Å²	100	63.6 Å²	63.6	38%	0.377	31%	0.312	S	S	.	.	H	α-helix	trans	-94.4	-15.2	-174.9	-64	-176.3	66.6	-160.7	-3.1	114.2	L96 N115 I116 F121 E122 R123	L96-R119 HydrophobicContact CD1-CB 4Å; N115-R119 PolarHBondContact O-N 2.94Å; N115-R119 VanDerWaalsContact O-N 3.14Å; N115-R119 WeakPolarHBondContact OD1-CD 3.5Å; I116-R119 PolarHBondContact O-N 3.09Å; R119-F121 VanDerWaalsContact C-N 3.35Å; R119-F121 PolarHBondContact O-N 2.88Å; R119-E122 PolarHBondContact O-N 3.07Å; R119-R123 WeakPolarHBondContact O-CG 3.02Å; R119-R123 PolarHBondContact O-N 2.87Å
120	L	89.8	Confident	88.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-43.2	-171.8	-157.5	94.8	0	0	0	112.3	V52 V55 A93 I116 R123 F124 F544 M546	V52-L120 HydrophobicContact CB-CD2 4.09Å; V52-L120 HydrophobicContact CG1-CD2 4.15Å; V52-L120 HydrophobicContact CG2-CD1 4.28Å; V52-L120 HydrophobicContact CG2-CD2 4.28Å; V55-L120 HydrophobicContact CB-CD2 4.38Å; V55-L120 HydrophobicContact CG1-CB 4.02Å; V55-L120 HydrophobicContact CG1-CD2 3.9Å; V55-L120 HydrophobicContact CG2-CD2 3.5Å; A93-L120 HydrophobicContact CB-CD1 4.08Å; I116-L120 HydrophobicContact CG2-CD1 4.06Å; I116-L120 WeakPolarHBondContact O-CB 3.32Å; I116-L120 PolarHBondContact O-N 2.73Å; L120-R123 PolarHBondContact O-N 2.67Å; L120-F124 HydrophobicContact CD1-CE2 4.13Å; L120-F124 HydrophobicContact CD2-CD2 4.35Å; L120-F124 HydrophobicContact CD2-CE2 4.14Å; L120-F124 HydrophobicContact CG-CD2 3.97Å; L120-F124 HydrophobicContact CG-CE2 3.77Å; L120-F124 VanDerWaalsContact O-CD2 3.25Å; L120-F124 WeakPolarHBondContact O-CD2 3.1Å; L120-F124 PolarHBondContact O-N 2.96Å; L120-F544 HydrophobicContact CD2-CB 3.91Å; L120-F544 HydrophobicContact CD2-CD2 3.23Å; L120-F544 HydrophobicContact CD2-CE2 3.95Å; L120-F544 HydrophobicContact CD2-CG 3.85Å; L120-F544 HydrophobicContact CG-CD2 4.16Å; L120-M546 HydrophobicContact CD1-CE 4.1Å; L120-M546 HydrophobicContact CD2-CE 3.68Å; L120-M546 HydrophobicContact CG-CE 4.31Å
121	F	92.1	Very high	89.5	Confident	5 Å²	5	56.3 Å²	56.3	2%	0.022	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-49.9	-178.4	-171.9	-81.7	0	0	0	111.5	V55 E56 K57 P58 L62 Y85 R119 R123 F124 F125 F544	V55-F121 HydrophobicContact CG1-CB 4.29Å; E56-F121 VanDerWaalsContact O-CB 3.26Å; E56-F121 WeakPolarHBondContact O-CB 3.27Å; K57-F121 HydrophobicContact CB-CD2 3.68Å; K57-F121 HydrophobicContact CB-CE2 3.95Å; K57-F121 HydrophobicContact CB-CG 4.24Å; P58-F121 VanDerWaalsContact CD-CD1 3.42Å; P58-F121 HydrophobicContact CG-CD1 3.97Å; P58-F121 HydrophobicContact CG-CE1 3.69Å; P58-F121 HydrophobicContact CG-CZ 4.34Å; L62-F121 HydrophobicContact CD1-CE2 4.43Å; L62-F121 HydrophobicContact CD2-CE2 3.75Å; L62-F121 HydrophobicContact CD2-CZ 4.06Å; Y85-F121 HydrophobicContact CD1-CE1 4.18Å; Y85-F121 AromaticContact CE1-CE1 3.67Å; Y85-F121 HydrophobicContact CE1-CE1 3.67Å; Y85-F121 HydrophobicContact CE1-CZ 4.17Å; R119-F121 VanDerWaalsContact C-N 3.35Å; R119-F121 PolarHBondContact O-N 2.88Å; F121-R123 PolarHBondContact O-N 2.69Å; F121-F124 PolarHBondContact O-N 3.45Å; F121-F125 HydrophobicContact CD1-CB 4.29Å; F121-F125 HydrophobicContact CD2-CD2 4.1Å; F121-F125 HydrophobicContact CE1-CB 3.91Å; F121-F125 HydrophobicContact CE1-CD2 4.46Å; F121-F125 AromaticContact CE2-CD2 3.94Å; F121-F125 HydrophobicContact CE2-CD2 3.94Å; F121-F125 HydrophobicContact CG-CD2 4.4Å; F121-F125 HydrophobicContact CZ-CB 4.18Å; F121-F125 HydrophobicContact CZ-CD2 4.13Å; F121-F125 HydrophobicContact CZ-CG 4.36Å; F121-F125 WeakPolarHBondContact O-CB 3.12Å; F121-F125 PolarHBondContact O-N 3.02Å; F121-F544 HydrophobicContact CD2-CE2 4.49Å; F121-F544 AromaticContact CD2-CZ 3.75Å; F121-F544 HydrophobicContact CD2-CZ 3.75Å; F121-F544 HydrophobicContact CE2-CZ 4.33Å
122	E	91.7	Very high	90.2	Very high	138 Å²	138	53 Å²	53	65%	0.645	26%	0.259	S	S	*	.	H	α-helix	trans	-62.8	-27.7	-180	-61.8	179.2	168.2	0	0	113	R119	R119-E122 PolarHBondContact O-N 3.07Å
123	R	91.2	Very high	90.5	Very high	88 Å²	88	47.2 Å²	47.2	33%	0.332	24%	0.238	S	C	.	.	H	α-helix	trans	-72.4	-43.2	175	-72	-60.8	-157.9	174.6	11.9	112.6	Q88 A92 A93 D95 L96 R119 L120 F121	Q88-R123 WeakPolarHBondContact CB-O 3.5Å; A92-R123 WeakPolarHBondContact CB-O 3.47Å; A93-R123 HydrophobicContact CB-CB 4.22Å; D95-R123 IonicContact OD2-CZ 2.94Å; D95-R123 IonicContact OD2-NH2 3.47Å; D95-R123 PolarHBondContact OD2-NH2 3.16Å; L96-R123 HydrophobicContact CD1-CG 3.73Å; R119-R123 WeakPolarHBondContact O-CG 3.02Å; R119-R123 PolarHBondContact O-N 2.87Å; L120-R123 PolarHBondContact O-N 2.67Å; F121-R123 PolarHBondContact O-N 2.69Å
124	F	92.7	Very high	90.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-79.9	-32.8	-179	-77.4	-65.3	0	0	0	112.8	Y87 Q88 G89 A92 A93 L120 F121 F529 F544 M546	Y87-F124 WeakPolarHBondContact CA-O 3.32Å; Y87-F124 WeakPolarHBondContact CD2-O 3.1Å; Y87-F124 HydrophobicContact CE2-CB 4.32Å; Y87-F124 AromaticContact CE2-CD1 3.84Å; Y87-F124 HydrophobicContact CE2-CD1 3.84Å; Y87-F124 HydrophobicContact CE2-CG 4.46Å; Q88-F124 PolarHBondContact N-O 3.37Å; G89-F124 WeakPolarHBondContact O-CD1 3.34Å; G89-F124 VanDerWaalsContact O-CE1 3.3Å; G89-F124 WeakPolarHBondContact O-CE1 3.4Å; A92-F124 HydrophobicContact CB-CD1 4.28Å; A92-F124 HydrophobicContact CB-CE1 4.42Å; A93-F124 HydrophobicContact CB-CD2 4.32Å; A93-F124 HydrophobicContact CB-CE1 4.45Å; A93-F124 HydrophobicContact CB-CE2 3.56Å; A93-F124 HydrophobicContact CB-CZ 3.63Å; L120-F124 HydrophobicContact CD1-CE2 4.13Å; L120-F124 HydrophobicContact CD2-CD2 4.35Å; L120-F124 HydrophobicContact CD2-CE2 4.14Å; L120-F124 HydrophobicContact CG-CD2 3.97Å; L120-F124 HydrophobicContact CG-CE2 3.77Å; L120-F124 VanDerWaalsContact O-CD2 3.25Å; L120-F124 WeakPolarHBondContact O-CD2 3.1Å; L120-F124 PolarHBondContact O-N 2.96Å; F121-F124 PolarHBondContact O-N 3.45Å; F124-F529 HydrophobicContact CD1-CE2 4.14Å; F124-F529 HydrophobicContact CD2-CE2 4.18Å; F124-F529 HydrophobicContact CE1-CD2 4.31Å; F124-F529 HydrophobicContact CE1-CE2 4.16Å; F124-F529 HydrophobicContact CE2-CE2 4.19Å; F124-F529 HydrophobicContact CG-CE2 4.16Å; F124-F529 HydrophobicContact CG-CZ 4.45Å; F124-F529 HydrophobicContact CZ-CE2 4.18Å; F124-F544 HydrophobicContact CB-CE2 4.43Å; F124-F544 AromaticContact CD2-CD2 3.76Å; F124-F544 HydrophobicContact CD2-CD2 3.76Å; F124-F544 AromaticContact CD2-CE2 3.9Å; F124-F544 HydrophobicContact CD2-CE2 3.9Å; F124-F544 HydrophobicContact CE2-CD2 4.18Å; F124-M546 HydrophobicContact CE2-CE 3.7Å; F124-M546 HydrophobicContact CE2-SD 3.75Å; F124-M546 HydrophobicContact CZ-CB 4.42Å; F124-M546 HydrophobicContact CZ-CE 4.05Å; F124-M546 HydrophobicContact CZ-SD 3.55Å; F124-M546 VanDerWaalsContact CZ-SD 3.55Å
125	F	95.7	Very high	89.7	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	106.8	-170.4	-62	-68.1	0	0	0	110.4	F65 F72 Y85 E86 Y87 F121 F529 I531 F544	F65-F125 AromaticContact CE1-CE1 3.87Å; F65-F125 HydrophobicContact CE1-CE1 3.87Å; F65-F125 HydrophobicContact CE1-CZ 4.26Å; F65-F125 HydrophobicContact CZ-CE1 4.1Å; F65-F125 HydrophobicContact CZ-CZ 4.01Å; F72-F125 HydrophobicContact CB-CD1 3.78Å; F72-F125 HydrophobicContact CB-CE1 3.54Å; F72-F125 HydrophobicContact CD1-CD1 4.21Å; F72-F125 HydrophobicContact CD1-CE1 4.02Å; F72-F125 HydrophobicContact CD1-CZ 4.49Å; F72-F125 HydrophobicContact CD2-CE1 4.15Å; F72-F125 HydrophobicContact CG-CD1 4.09Å; F72-F125 AromaticContact CG-CE1 3.61Å; F72-F125 HydrophobicContact CG-CE1 3.61Å; F72-F125 HydrophobicContact CG-CZ 4.28Å; Y85-F125 HydrophobicContact CD1-CB 3.76Å; Y85-F125 HydrophobicContact CG-CB 4.06Å; E86-F125 WeakPolarHBondContact O-CA 3.24Å; Y87-F125 HydrophobicContact CD2-CD1 4.24Å; Y87-F125 AromaticContact CD2-CE1 3.67Å; Y87-F125 HydrophobicContact CD2-CE1 3.67Å; Y87-F125 HydrophobicContact CD2-CZ 4.08Å; Y87-F125 HydrophobicContact CE2-CE1 4.42Å; Y87-F125 HydrophobicContact CE2-CZ 4.39Å; F121-F125 HydrophobicContact CD1-CB 4.29Å; F121-F125 HydrophobicContact CD2-CD2 4.1Å; F121-F125 HydrophobicContact CE1-CB 3.91Å; F121-F125 HydrophobicContact CE1-CD2 4.46Å; F121-F125 AromaticContact CE2-CD2 3.94Å; F121-F125 HydrophobicContact CE2-CD2 3.94Å; F121-F125 HydrophobicContact CG-CD2 4.4Å; F121-F125 HydrophobicContact CZ-CB 4.18Å; F121-F125 HydrophobicContact CZ-CD2 4.13Å; F121-F125 HydrophobicContact CZ-CG 4.36Å; F121-F125 WeakPolarHBondContact O-CB 3.12Å; F121-F125 PolarHBondContact O-N 3.02Å; F125-F529 HydrophobicContact CE2-CE1 4.3Å; F125-F529 HydrophobicContact CE2-CZ 4.14Å; F125-F529 AromaticContact CZ-CE1 3.83Å; F125-F529 HydrophobicContact CZ-CE1 3.83Å; F125-F529 HydrophobicContact CZ-CZ 4.12Å; F125-I531 HydrophobicContact CE2-CD1 4.22Å; F125-I531 HydrophobicContact CZ-CD1 3.93Å; F125-F544 HydrophobicContact CD2-CE2 4.26Å; F125-F544 HydrophobicContact CD2-CZ 4.08Å; F125-F544 HydrophobicContact CE2-CE1 4.41Å; F125-F544 AromaticContact CE2-CE2 3.82Å; F125-F544 HydrophobicContact CE2-CE2 3.82Å; F125-F544 AromaticContact CE2-CZ 3.58Å; F125-F544 HydrophobicContact CE2-CZ 3.58Å
126	V	95.1	Very high	89.1	Confident	60 Å²	60	51.1 Å²	51.1	36%	0.364	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119.9	172.4	175.3	0	0	0	0	108.1	Y85 E86 Q88 L128	Y85-V126 CarbonylContact C-O 3.59Å; Y85-V126 VanDerWaalsContact CA-O 3.28Å; Y85-V126 WeakPolarHBondContact CA-O 3.25Å; E86-V126 PolarHBondContact N-O 3.38Å; E86-V126 PolarHBondContact O-N 2.82Å; Q88-V126 HydrophobicContact CG-CG2 3.67Å; V126-L128 PolarHBondContact O-N 2.81Å
127	L	96	Very high	88.7	Confident	80 Å²	80	53.5 Å²	53.5	42%	0.419	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	117.6	177.6	-178.7	66.9	0	0	0	109.8	E83 Y85 I130	E83-L127 HydrophobicContact CB-CD1 4.13Å; Y85-L127 HydrophobicContact CD1-CB 3.92Å; Y85-L127 HydrophobicContact CD1-CD1 4.06Å; Y85-L127 HydrophobicContact CD2-CD1 4.48Å; Y85-L127 HydrophobicContact CE1-CB 3.74Å; Y85-L127 HydrophobicContact CE1-CD1 3.71Å; Y85-L127 HydrophobicContact CE1-CG 4.27Å; Y85-L127 HydrophobicContact CE2-CD1 4.14Å; Y85-L127 HydrophobicContact CG-CD1 4.44Å; L127-I130 HydrophobicContact CD1-CG1 4.14Å; L127-I130 HydrophobicContact CD2-CD1 3.96Å; L127-I130 HydrophobicContact CD2-CG1 3.96Å; L127-I130 HydrophobicContact CG-CG1 4.41Å
128	L	94.6	Very high	88.9	Confident	62 Å²	62	53.9 Å²	53.9	33%	0.325	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-51.3	175.8	-68.2	-178	0	0	0	111.2	Y71 I84 E86 V126	Y71-L128 HydrophobicContact CD1-CD1 4.06Å; Y71-L128 HydrophobicContact CE1-CD1 3.63Å; I84-L128 PolarHBondContact O-N 2.95Å; E86-L128 HydrophobicContact CB-CD1 3.75Å; E86-L128 HydrophobicContact CB-CD2 4.21Å; E86-L128 HydrophobicContact CB-CG 3.84Å; E86-L128 HydrophobicContact CG-CD1 4.45Å; V126-L128 PolarHBondContact O-N 2.81Å
129	H	95.4	Very high	89.1	Confident	58 Å²	58	56.7 Å²	56.7	27%	0.269	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144.6	-169.8	-57.5	-53.8	0	0	0	112	I84 H199 G201	I84-H129 HydrophobicContact CB-CB 4.32Å; I84-H129 HydrophobicContact CD1-CB 4.21Å; I84-H129 PolarHBondContact N-O 2.84Å; I84-H129 PolarHBondContact O-N 3.15Å; H129-H199 PolarHBondContact NE2-O 3.41Å; H129-H199 VanDerWaalsContact NE2-O 3.17Å; H129-G201 PolarHBondContact CD2-N 2.84Å
130	I	95.4	Very high	89.3	Confident	104 Å²	104	52 Å²	52	53%	0.533	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	113	165.1	-54.2	179.5	0	0	0	106.4	E83 L127	E83-I130 HydrophobicContact CG-CG1 4.45Å; L127-I130 HydrophobicContact CD1-CG1 4.14Å; L127-I130 HydrophobicContact CD2-CD1 3.96Å; L127-I130 HydrophobicContact CD2-CG1 3.96Å; L127-I130 HydrophobicContact CG-CG1 4.41Å
131	T	93.7	Very high	89.5	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.043	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	113.1	177.7	-47.2	0	0	0	0	108.1	S81 L82 V133 I196 G201 L203	S81-T131 CarbonylContact C-O 3.54Å; S81-T131 WeakPolarHBondContact CA-O 3.19Å; S81-T131 WeakPolarHBondContact CB-O 3.38Å; L82-T131 PolarHBondContact N-O 2.85Å; L82-T131 PolarHBondContact O-N 3.25Å; T131-V133 HydrophobicContact CG2-CG2 4.15Å; T131-I196 HydrophobicContact CG2-CD1 4.36Å; T131-I196 HydrophobicContact CG2-CG1 4.3Å; T131-I196 HydrophobicContact CG2-CG2 4.02Å; T131-G201 PolarHBondContact OG1-O 3.2Å; T131-L203 HydrophobicContact CG2-CB 4.06Å
132	N	92.4	Very high	89.4	Confident	88 Å²	88	56.2 Å²	56.2	47%	0.471	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	124.8	171.4	-170.7	6.8	0	0	0	109.2	T80 S81	T80-N132 PolarHBondContact O-OD1 3.35Å; S81-N132 WeakPolarHBondContact OG-CA 3.41Å
133	V	87.4	Confident	89.4	Confident	7 Å²	7	52.8 Å²	52.8	4%	0.042	29%	0.285	C	S	.	.			trans	-118.7	-43.8	-170.8	-175.5	0	0	0	0	110.6	T80 T131 L140 H194 I196 L203	T80-V133 PolarHBondContact O-N 3.29Å; T131-V133 HydrophobicContact CG2-CG2 4.15Å; V133-L140 HydrophobicContact CB-CD1 4.24Å; V133-L140 HydrophobicContact CB-CD2 4.2Å; V133-L140 HydrophobicContact CG1-CD2 4.03Å; V133-L140 HydrophobicContact CG2-CD1 4.44Å; V133-H194 HydrophobicContact CG1-CB 3.52Å; V133-H194 WeakPolarHBondContact CG1-CD2 3.27Å; V133-H194 WeakPolarHBondContact CG1-ND1 3.47Å; V133-I196 HydrophobicContact CG2-CD1 3.56Å; V133-I196 HydrophobicContact CG2-CG1 4.43Å; V133-L203 HydrophobicContact CG1-CD1 4.44Å
134	A	79.6	Confident	89.5	Confident	3 Å²	3	48.6 Å²	48.6	3%	0.025	27%	0.27	C	S	.	.			trans	-106.4	71.5	-173.7	0	0	0	0	0	110.6	T80 E138 L140	T80-A134 PolarHBondContact O-N 3.39Å; A134-E138 HydrophobicContact CB-CB 3.69Å; A134-E138 WeakPolarHBondContact CB-O 3.31Å; A134-L140 HydrophobicContact CB-CG 4.41Å
135	S	68.6	Low	89.6	Confident	86 Å²	86	48.7 Å²	48.7	60%	0.601	27%	0.27	S	S	*	.			trans	-81.8	-11.8	179.7	41.6	0	0	0	0	114.5
136	N	71.8	Confident	89.5	Confident	135 Å²	135	48.5 Å²	48.5	72%	0.722	27%	0.269	S	S	*	.	S	Bend	trans	-110.9	37.7	-170.5	-65.7	-10	0	0	0	113.7	E138	N136-E138 PolarHBondContact O-N 3.04Å
137	G	78.5	Confident	89.4	Confident	59 Å²	59	45.7 Å²	45.7	61%	0.608	25%	0.252	S	S	*	.	S	Bend	trans	73	10	-178.5	0	0	0	0	0	114.5
138	E	88.4	Confident	89.2	Confident	25 Å²	25	42.4 Å²	42.4	12%	0.117	24%	0.235	C	C	.	.			trans	-74.3	157.1	167.5	-67.4	175.8	-180	0	0	110.3	A134 N136 S158 A160 S192 H194	A134-E138 HydrophobicContact CB-CB 3.69Å; A134-E138 WeakPolarHBondContact CB-O 3.31Å; N136-E138 PolarHBondContact O-N 3.04Å; E138-S158 PolarHBondContact OE2-OG 2.9Å; E138-A160 HydrophobicContact CB-CB 4.39Å; E138-A160 HydrophobicContact CG-CB 3.66Å; E138-S192 PolarHBondContact OE1-OG 2.92Å; E138-H194 IonicContact OE2-CE1 3.75Å; E138-H194 IonicContact OE2-NE2 2.9Å
139	H	92	Very high	88.8	Confident	82 Å²	82	41.4 Å²	41.4	38%	0.38	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.4	170.4	-65.6	-58.9	0	0	0	110.4	Q79 N141 S158 A159	Q79-H139 HydrophobicContact CB-CB 4.26Å; H139-N141 PolarHBondContact O-N 2.94Å; H139-S158 CarbonylContact O-C 3.41Å; H139-S158 VanDerWaalsContact O-CA 3.28Å; H139-S158 WeakPolarHBondContact O-CA 3.46Å; H139-A159 PolarHBondContact N-O 2.83Å; H139-A159 PolarHBondContact O-N 2.67Å
140	L	93.5	Very high	88.4	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	131.2	173.7	-71.5	168.9	0	0	0	110.7	F75 Q79 V133 A134 R142 V156	F75-L140 HydrophobicContact CD1-CB 3.8Å; F75-L140 HydrophobicContact CD1-CD1 3.92Å; F75-L140 HydrophobicContact CD1-CG 4.44Å; F75-L140 HydrophobicContact CE1-CB 4.04Å; F75-L140 HydrophobicContact CE1-CD1 4.33Å; Q79-L140 HydrophobicContact CB-CB 4.48Å; Q79-L140 WeakPolarHBondContact O-CB 3.37Å; Q79-L140 WeakPolarHBondContact O-CG 3.36Å; Q79-L140 PolarHBondContact O-N 3.07Å; Q79-L140 PolarHBondContact OE1-O 2.73Å; V133-L140 HydrophobicContact CB-CD1 4.24Å; V133-L140 HydrophobicContact CB-CD2 4.2Å; V133-L140 HydrophobicContact CG1-CD2 4.03Å; V133-L140 HydrophobicContact CG2-CD1 4.44Å; A134-L140 HydrophobicContact CB-CG 4.41Å; L140-R142 PolarHBondContact O-N 2.53Å; L140-V156 HydrophobicContact CD2-CB 4.33Å; L140-V156 HydrophobicContact CD2-CG2 3.84Å
141	N	93.1	Very high	88	Confident	38 Å²	38	38.5 Å²	38.5	20%	0.203	22%	0.218	C	C	.	.			trans	-76.6	111.7	172.6	-171	-53	0	0	0	109.6	H139 E143 C144 G157 L216	H139-N141 PolarHBondContact O-N 2.94Å; N141-E143 PolarHBondContact O-N 3.14Å; N141-E143 PolarHBondContact OD1-N 2.88Å; N141-C144 HydrophobicContact CB-CB 3.87Å; N141-C144 PolarHBondContact O-N 2.74Å; N141-C144 PolarHBondContact OD1-N 2.81Å; N141-G157 PolarHBondContact N-O 3.23Å; N141-L216 HydrophobicContact CB-CB 3.97Å; N141-L216 HydrophobicContact CB-CD1 4.04Å
142	R	91	Very high	87.9	Confident	56 Å²	56	42.6 Å²	42.6	21%	0.211	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.3	-176.2	-54.1	171.6	-162.2	-173	-4	114.2	F61 R63 F75 Q79 L140	F61-R142 HydrophobicContact CB-CG 4.47Å; F61-R142 HydrophobicContact CD2-CG 4.28Å; F61-R142 VanDerWaalsContact CE2-NH1 3.26Å; F61-R142 VanDerWaalsContact CE2-NH2 3.26Å; F61-R142 HydrophobicContact CG-CG 4.45Å; R63-R142 WeakPolarHBondContact CD-O 3.38Å; R63-R142 PolarHBondContact NE-O 3.38Å; F75-R142 HydrophobicContact CB-CG 4.49Å; F75-R142 HydrophobicContact CD2-CB 4.12Å; F75-R142 HydrophobicContact CD2-CG 4.5Å; F75-R142 HydrophobicContact CE2-CB 4.46Å; F75-R142 WeakPolarHBondContact CE2-O 3.4Å; Q79-R142 HydrophobicContact CG-CG 4.3Å; L140-R142 PolarHBondContact O-N 2.53Å
143	E	90.9	Very high	88	Confident	67 Å²	67	38.7 Å²	38.7	31%	0.313	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-3.7	-178.5	-60.4	179.2	161.9	0	0	112.5	R63 N141 S217 H218	R63-E143 PolarHBondContact NH2-O 2.84Å; N141-E143 PolarHBondContact O-N 3.14Å; N141-E143 PolarHBondContact OD1-N 2.88Å; E143-S217 WeakPolarHBondContact OE2-CB 3.41Å; E143-H218 VanDerWaalsContact CD-CE1 3.41Å; E143-H218 IonicContact OE1-CE1 2.67Å; E143-H218 PolarHBondContact OE1-CE1 3.22Å; E143-H218 IonicContact OE1-NE2 2.84Å; E143-H218 IonicContact OE2-CD2 2.76Å; E143-H218 IonicContact OE2-CE1 3.8Å; E143-H218 PolarHBondContact OE2-CE1 3.03Å; E143-H218 IonicContact OE2-CG 3.12Å; E143-H218 IonicContact OE2-ND1 2.97Å; E143-H218 IonicContact OE2-NE2 3.58Å; E143-H218 PolarHBondContact OE2-NE2 2.94Å
144	C	93.8	Very high	88.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.21	C	C	.	.			trans	-98.6	107.8	-176.9	-172.7	0	0	0	0	111.1	N141 L216 N219 L222	N141-C144 HydrophobicContact CB-CB 3.87Å; N141-C144 PolarHBondContact O-N 2.74Å; N141-C144 PolarHBondContact OD1-N 2.81Å; C144-L216 HydrophobicContact CB-CB 4.06Å; C144-N219 WeakPolarHBondContact CA-OD1 3.46Å; C144-L222 WeakPolarHBondContact SG-CD1 3.2Å
145	S	93.9	Very high	89.2	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.007	21%	0.209	C	C	.	.			trans	-156.6	124.2	176.7	60.1	0	0	0	0	110	R63 I155 N219	R63-S145 PolarHBondContact NE-OG 2.86Å; R63-S145 PolarHBondContact NH2-OG 3.01Å; S145-I155 WeakPolarHBondContact CA-O 3.37Å; S145-N219 PolarHBondContact N-OD1 3.34Å; S145-N219 PolarHBondContact O-ND2 2.81Å
146	L	94	Very high	90.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.6	174.5	-63.6	172.2	0	0	0	109.2	V154 I155 N219 L222 L224 L229 A453 Q454	L146-V154 CarbonylContact O-C 3.56Å; L146-V154 WeakPolarHBondContact O-CA 3.25Å; L146-I155 HydrophobicContact CB-CB 4.3Å; L146-I155 PolarHBondContact N-O 2.88Å; L146-I155 PolarHBondContact O-N 3.06Å; L146-N219 HydrophobicContact CD2-CB 4.05Å; L146-N219 VanDerWaalsContact CD2-ND2 3.31Å; L146-N219 WeakPolarHBondContact CD2-ND2 3.41Å; L146-L222 HydrophobicContact CD1-CB 3.75Å; L146-L222 HydrophobicContact CD1-CD1 4.29Å; L146-L224 HydrophobicContact CB-CB 4.37Å; L146-L224 HydrophobicContact CB-CD2 4.25Å; L146-L224 HydrophobicContact CD1-CB 4.05Å; L146-L229 HydrophobicContact CD1-CD1 4.12Å; L146-A453 HydrophobicContact CD2-CB 3.6Å; L146-Q454 HydrophobicContact CD2-CB 4.26Å; L146-Q454 HydrophobicContact CD2-CG 4.03Å
147	F	93.3	Very high	91.6	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.009	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	141.7	177.3	-65.5	-81.6	0	0	0	111	K64 F65 P67 I73 V154 L198 L224 Q454	K64-F147 HydrophobicContact CB-CE2 4.33Å; K64-F147 HydrophobicContact CD-CE2 4.09Å; K64-F147 HydrophobicContact CG-CE2 4.29Å; F65-F147 WeakPolarHBondContact O-CE2 3.41Å; P67-F147 HydrophobicContact CG-CB 3.71Å; P67-F147 HydrophobicContact CG-CD2 4.41Å; P67-F147 HydrophobicContact CG-CG 4.14Å; I73-F147 HydrophobicContact CD1-CE1 4.43Å; I73-F147 HydrophobicContact CD1-CE2 4.38Å; I73-F147 HydrophobicContact CD1-CZ 3.7Å; I73-F147 HydrophobicContact CG1-CZ 3.96Å; I73-F147 HydrophobicContact CG2-CE1 4.4Å; I73-F147 HydrophobicContact CG2-CZ 4.43Å; F147-V154 HydrophobicContact CD1-CB 4Å; F147-V154 HydrophobicContact CD1-CG2 3.99Å; F147-V154 HydrophobicContact CE1-CB 4Å; F147-V154 HydrophobicContact CE1-CG2 3.81Å; F147-V154 HydrophobicContact CZ-CG2 4.27Å; F147-L198 HydrophobicContact CD1-CD1 3.95Å; F147-L198 HydrophobicContact CE1-CD1 3.93Å; F147-L224 WeakPolarHBondContact O-CD2 3.38Å; F147-Q454 PolarHBondContact O-NE2 3.4Å
148	T	91.5	Very high	92.4	Very high	10 Å²	10	24.9 Å²	24.9	6%	0.061	12%	0.117	C	C	.	.			trans	-70.3	155	168.6	51.1	0	0	0	0	110.9	D150 C151 Y153 L224 V244	T148-D150 WeakPolarHBondContact CB-OD1 3.38Å; T148-D150 PolarHBondContact O-N 3.41Å; T148-D150 PolarHBondContact OG1-OD1 3.31Å; T148-C151 PolarHBondContact O-N 2.93Å; T148-Y153 PolarHBondContact N-O 2.85Å; T148-Y153 PolarHBondContact OG1-N 3.45Å; T148-Y153 PolarHBondContact OG1-O 3.26Å; T148-L224 HydrophobicContact CG2-CD2 4.41Å; T148-V244 HydrophobicContact CG2-CG1 4.21Å
149	D	86.7	Confident	92.6	Very high	42 Å²	42	24.4 Å²	24.4	23%	0.225	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.4	-176.8	-78	-19.5	0	0	0	113.1	C151 K226	D149-C151 PolarHBondContact O-N 3.08Å; D149-K226 WeakPolarHBondContact OD2-CA 3.24Å
150	D	86.3	Confident	92.6	Very high	91 Å²	91	21.3 Å²	21.3	49%	0.487	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-1.1	175.7	70.2	-13.6	0	0	0	113.7	T148 R152	T148-D150 WeakPolarHBondContact CB-OD1 3.38Å; T148-D150 PolarHBondContact O-N 3.41Å; T148-D150 PolarHBondContact OG1-OD1 3.31Å; D150-R152 PolarHBondContact O-N 2.84Å; D150-R152 VanDerWaalsContact O-N 3.07Å; D150-R152 PolarHBondContact OD1-N 3.5Å; D150-R152 VanDerWaalsContact OD1-N 3.14Å; D150-R152 WeakPolarHBondContact OD2-CB 3.16Å
151	C	87.9	Confident	92.2	Very high	9 Å²	9	29.1 Å²	29.1	6%	0.061	14%	0.136	C	C	.	.	S	Bend	trans	57.4	17.4	-178.2	-55.2	0	0	0	0	114.5	D68 T148 D149 L198	D68-C151 HydrophobicContact CB-CB 4.21Å; T148-C151 PolarHBondContact O-N 2.93Å; D149-C151 PolarHBondContact O-N 3.08Å; C151-L198 WeakPolarHBondContact O-CD1 3.25Å
152	R	91.3	Very high	91.7	Very high	94 Å²	94	29.3 Å²	29.3	36%	0.355	14%	0.137	S	C	.	.	S	Bend	trans	-87.6	-37.7	-178.5	-175	173.7	176.8	-165	-2.8	112.4	D150 L198 P246	D150-R152 PolarHBondContact O-N 2.84Å; D150-R152 VanDerWaalsContact O-N 3.07Å; D150-R152 PolarHBondContact OD1-N 3.5Å; D150-R152 VanDerWaalsContact OD1-N 3.14Å; D150-R152 WeakPolarHBondContact OD2-CB 3.16Å; R152-L198 WeakPolarHBondContact O-CB 3.11Å; R152-L198 PolarHBondContact O-N 3.17Å; R152-P246 PolarHBondContact NH1-O 2.92Å
153	Y	94.6	Very high	91.1	Very high	5 Å²	5	30.5 Å²	30.5	2%	0.02	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	149.8	-174.3	-59.6	-81.1	0	0	0	112	T148 I195 I196 D197 P246 E247 G248	T148-Y153 PolarHBondContact N-O 2.85Å; T148-Y153 PolarHBondContact OG1-N 3.45Å; T148-Y153 PolarHBondContact OG1-O 3.26Å; Y153-I195 HydrophobicContact CD1-CD1 4.31Å; Y153-I195 HydrophobicContact CD1-CG1 4.04Å; Y153-I195 HydrophobicContact CG-CD1 4.15Å; Y153-I195 HydrophobicContact CG-CG1 4.22Å; Y153-I196 CarbonylContact C-O 3.49Å; Y153-I196 VanDerWaalsContact CA-O 3.3Å; Y153-I196 WeakPolarHBondContact CA-O 3.33Å; Y153-D197 HydrophobicContact CD1-CB 4.01Å; Y153-D197 HydrophobicContact CE1-CB 3.8Å; Y153-P246 WeakPolarHBondContact CE2-O 3.46Å; Y153-P246 PolarHBondContact OH-O 3.39Å; Y153-P246 VanDerWaalsContact OH-O 3.11Å; Y153-E247 PolarHBondContact OH-O 2.83Å; Y153-G248 PolarHBondContact OH-N 3.46Å
154	V	95.5	Very high	90.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.2	169.4	64.9	0	0	0	0	109.8	I73 L82 L146 F147 V156 I195 I196 L198	I73-V154 HydrophobicContact CD1-CG2 4.26Å; L82-V154 HydrophobicContact CD2-CG1 3.68Å; L146-V154 CarbonylContact O-C 3.56Å; L146-V154 WeakPolarHBondContact O-CA 3.25Å; F147-V154 HydrophobicContact CD1-CB 4Å; F147-V154 HydrophobicContact CD1-CG2 3.99Å; F147-V154 HydrophobicContact CE1-CB 4Å; F147-V154 HydrophobicContact CE1-CG2 3.81Å; F147-V154 HydrophobicContact CZ-CG2 4.27Å; V154-V156 HydrophobicContact CG2-CG1 4.16Å; V154-I195 WeakPolarHBondContact O-CA 3.48Å; V154-I196 HydrophobicContact CG1-CB 3.96Å; V154-I196 PolarHBondContact N-O 3.38Å; V154-I196 PolarHBondContact O-N 2.94Å; V154-L198 HydrophobicContact CB-CD1 4.48Å; V154-L198 HydrophobicContact CB-CD2 4.14Å; V154-L198 HydrophobicContact CB-CG 4.35Å; V154-L198 HydrophobicContact CG1-CD2 3.67Å; V154-L198 HydrophobicContact CG1-CG 4.17Å
155	I	96	Very high	89.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122.7	174.2	-59.2	163.3	0	0	0	108.1	S145 L146 H194 I195 L224 L229 V244 F250	S145-I155 WeakPolarHBondContact CA-O 3.37Å; L146-I155 HydrophobicContact CB-CB 4.3Å; L146-I155 PolarHBondContact N-O 2.88Å; L146-I155 PolarHBondContact O-N 3.06Å; I155-H194 CarbonylContact C-O 3.6Å; I155-H194 VanDerWaalsContact CA-O 3.27Å; I155-H194 WeakPolarHBondContact CA-O 3.23Å; I155-I195 HydrophobicContact CG1-CB 4.28Å; I155-I195 HydrophobicContact CG1-CD1 4.27Å; I155-I195 HydrophobicContact CG1-CG1 4.27Å; I155-L224 HydrophobicContact CD1-CD1 4.4Å; I155-L224 HydrophobicContact CD1-CD2 4.24Å; I155-L229 HydrophobicContact CD1-CD2 4.26Å; I155-V244 HydrophobicContact CD1-CG2 4.09Å; I155-F250 HydrophobicContact CD1-CE1 4Å; I155-F250 HydrophobicContact CD1-CZ 4.41Å; I155-F250 HydrophobicContact CG1-CE1 4.24Å; I155-F250 HydrophobicContact CG1-CZ 4.16Å; I155-F250 HydrophobicContact CG2-CZ 4.14Å
156	V	96.1	Very high	88.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	150.5	177.3	-62	0	0	0	0	109.9	F75 L82 L140 V154 L193 H194 I196	F75-V156 HydrophobicContact CE1-CB 4.47Å; F75-V156 HydrophobicContact CE1-CG1 4.19Å; F75-V156 HydrophobicContact CZ-CG1 4.31Å; L82-V156 HydrophobicContact CD1-CG1 4.31Å; L82-V156 HydrophobicContact CD2-CG1 4.31Å; L140-V156 HydrophobicContact CD2-CB 4.33Å; L140-V156 HydrophobicContact CD2-CG2 3.84Å; V154-V156 HydrophobicContact CG2-CG1 4.16Å; V156-L193 WeakPolarHBondContact O-CA 3.37Å; V156-H194 HydrophobicContact CG2-CB 3.98Å; V156-H194 PolarHBondContact N-O 3.09Å; V156-H194 PolarHBondContact O-N 3.4Å; V156-I196 HydrophobicContact CG2-CD1 3.72Å
157	G	95.3	Very high	87.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.5	178.2	0	0	0	0	0	111.4	N141 S192	N141-G157 PolarHBondContact N-O 3.23Å; G157-S192 CarbonylContact C-O 3.58Å; G157-S192 WeakPolarHBondContact CA-O 3.5Å
158	S	94.6	Very high	86.6	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	160.7	169.2	75.1	0	0	0	0	110.5	E138 H139 Y191 S192 H194	E138-S158 PolarHBondContact OE2-OG 2.9Å; H139-S158 CarbonylContact O-C 3.41Å; H139-S158 VanDerWaalsContact O-CA 3.28Å; H139-S158 WeakPolarHBondContact O-CA 3.46Å; S158-Y191 WeakPolarHBondContact O-CA 3.42Å; S158-S192 PolarHBondContact N-O 3.26Å; S158-S192 PolarHBondContact O-N 3.43Å; S158-S192 VanDerWaalsContact O-N 3.07Å; S158-S192 WeakPolarHBondContact OG-CB 3.34Å; S158-H194 PolarHBondContact OG-NE2 3.3Å; S158-H194 VanDerWaalsContact OG-NE2 3.09Å
159	A	93.4	Very high	86.1	Confident	16 Å²	16	60.2 Å²	60.2	13%	0.132	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	136.3	171.5	0	0	0	0	0	109.7	H139 E189 D190 Y191	H139-A159 PolarHBondContact N-O 2.83Å; H139-A159 PolarHBondContact O-N 2.67Å; A159-E189 HydrophobicContact CB-CB 4.39Å; A159-D190 CarbonylContact C-O 3.58Å; A159-D190 WeakPolarHBondContact CA-O 3.5Å; A159-Y191 HydrophobicContact CB-CD1 3.78Å; A159-Y191 HydrophobicContact CB-CE1 3.65Å
160	A	91.5	Very high	85.8	Confident	16 Å²	16	63 Å²	63	13%	0.132	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.9	167	0	0	0	0	0	109.9	E138 E189 D190	E138-A160 HydrophobicContact CB-CB 4.39Å; E138-A160 HydrophobicContact CG-CB 3.66Å; A160-E189 WeakPolarHBondContact O-CA 3.46Å; A160-E189 WeakPolarHBondContact O-CB 3.45Å; A160-D190 HydrophobicContact CB-CB 4.35Å; A160-D190 PolarHBondContact N-O 3.45Å; A160-D190 PolarHBondContact O-N 3.31Å
161	Y	85.9	Confident	85.4	Confident	165 Å²	165	62.8 Å²	62.8	65%	0.647	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	135.1	171.5	-71.6	-72	0	0	0	110.1	E189	Y161-E189 HydrophobicContact CD1-CG 4.15Å; Y161-E189 HydrophobicContact CE1-CG 4.38Å; Y161-E189 WeakPolarHBondContact CE1-OE1 3.35Å
162	L	83.1	Confident	85	Confident	41 Å²	41	66 Å²	66	22%	0.215	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-71.2	137.8	170.8	-67.9	171.9	0	0	0	109.7	P168 L188 D190 C211	L162-P168 HydrophobicContact CD1-CG 4.27Å; L162-L188 HydrophobicContact CD1-CB 3.89Å; L162-L188 WeakPolarHBondContact CD1-O 3.45Å; L162-D190 WeakPolarHBondContact CD2-OD1 3.45Å; L162-C211 HydrophobicContact CD1-CB 4.45Å
163	P	78.2	Confident	84.5	Confident	82 Å²	82	62.1 Å²	62.1	53%	0.532	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-64	145.1	173.3	27.4	-33	0	0	0	110.4	E165	P163-E165 PolarHBondContact O-N 2.85Å
164	E	69.1	Low	84	Confident	175 Å²	175	63.8 Å²	63.8	82%	0.818	32%	0.322	S	S	*	.	S	Bend	trans	-65.1	-30	176.3	-68.5	-172.7	163.1	0	0	111.6	H167	E164-H167 PolarHBondContact O-CE1 3.05Å; E164-H167 PolarHBondContact O-ND1 3.44Å
165	E	73.1	Confident	83.4	Confident	161 Å²	161	68.8 Å²	68.8	75%	0.752	34%	0.341	S	S	*	.	S	Bend	trans	-139.4	137	173.7	-67.2	-172.3	168.4	0	0	111.7	P163	P163-E165 PolarHBondContact O-N 2.85Å
166	P	75.1	Confident	82.8	Confident	111 Å²	111	69 Å²	69	72%	0.721	34%	0.342	S	S	*	.	S	Bend	cis	-69.8	144.3	-7.9	30	-34	0	0	0	111.6
167	H	74.5	Confident	82.2	Confident	144 Å²	144	70.7 Å²	70.7	67%	0.667	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-60.7	143.5	174.3	-73	56.9	0	0	0	109.9	E164	E164-H167 PolarHBondContact O-CE1 3.05Å; E164-H167 PolarHBondContact O-ND1 3.44Å
168	P	78.9	Confident	81.8	Confident	40 Å²	40	71.4 Å²	71.4	26%	0.26	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-57.9	141.6	177.3	24.6	-34.2	0	0	0	110.3	L162 F170 V173 C211	L162-P168 HydrophobicContact CD1-CG 4.27Å; P168-F170 PolarHBondContact O-N 2.91Å; P168-V173 HydrophobicContact CB-CG2 3.99Å; P168-V173 HydrophobicContact CG-CG2 3.78Å; P168-C211 WeakPolarHBondContact CB-SG 3.41Å
169	P	80.4	Confident	81.5	Confident	73 Å²	73	71.7 Å²	71.7	47%	0.474	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-54	139	178.4	-22.6	30.9	0	0	0	111.3	F171 E172 V173	P169-F171 PolarHBondContact O-N 3.33Å; P169-F171 VanDerWaalsContact O-N 3.11Å; P169-E172 HydrophobicContact CB-CB 4.41Å; P169-E172 HydrophobicContact CB-CG 4.07Å; P169-E172 WeakPolarHBondContact CD-OE2 3.28Å; P169-E172 HydrophobicContact CG-CG 4.09Å; P169-E172 WeakPolarHBondContact O-CB 3.09Å; P169-E172 PolarHBondContact O-N 3.3Å; P169-V173 PolarHBondContact O-N 3.05Å
170	F	80.3	Confident	81.4	Confident	99 Å²	99	71.2 Å²	71.2	43%	0.434	35%	0.354	S	S	.	.	H	α-helix	trans	-51	-42.1	-177.1	179.5	-89.2	0	0	0	112.8	P168 E172 V173 Y174 Y287	P168-F170 PolarHBondContact O-N 2.91Å; F170-E172 VanDerWaalsContact C-N 3.32Å; F170-E172 PolarHBondContact O-N 3.06Å; F170-V173 PolarHBondContact O-N 3.46Å; F170-Y174 HydrophobicContact CD1-CD2 4.29Å; F170-Y174 AromaticContact CD2-CD2 3.73Å; F170-Y174 HydrophobicContact CD2-CD2 3.73Å; F170-Y174 AromaticContact CD2-CE2 3.94Å; F170-Y174 HydrophobicContact CD2-CE2 3.94Å; F170-Y174 HydrophobicContact CE1-CD2 4.02Å; F170-Y174 HydrophobicContact CE1-CG 4.4Å; F170-Y174 AromaticContact CE2-CD2 3.42Å; F170-Y174 HydrophobicContact CE2-CD2 3.42Å; F170-Y174 VanDerWaalsContact CE2-CD2 3.42Å; F170-Y174 AromaticContact CE2-CE2 3.55Å; F170-Y174 HydrophobicContact CE2-CE2 3.55Å; F170-Y174 HydrophobicContact CE2-CG 4.37Å; F170-Y174 HydrophobicContact CG-CD2 4.15Å; F170-Y174 AromaticContact CZ-CD2 3.58Å; F170-Y174 HydrophobicContact CZ-CD2 3.58Å; F170-Y174 HydrophobicContact CZ-CE2 4.08Å; F170-Y174 HydrophobicContact CZ-CG 4.1Å; F170-Y174 WeakPolarHBondContact O-CD2 3.36Å; F170-Y174 PolarHBondContact O-N 3.39Å; F170-Y287 AromaticContact CE1-CD1 3.84Å; F170-Y287 HydrophobicContact CE1-CD1 3.84Å; F170-Y287 HydrophobicContact CE1-CE1 4.07Å; F170-Y287 HydrophobicContact CE1-CG 4.33Å; F170-Y287 HydrophobicContact CZ-CD1 4.01Å; F170-Y287 AromaticContact CZ-CE1 3.75Å; F170-Y287 HydrophobicContact CZ-CE1 3.75Å
171	F	79.3	Confident	81.1	Confident	87 Å²	87	73.2 Å²	73.2	38%	0.382	37%	0.365	S	S	.	.	H	α-helix	trans	-79.1	-11.2	-178.6	-59.9	-60.9	0	0	0	114.4	P169 N285	P169-F171 PolarHBondContact O-N 3.33Å; P169-F171 VanDerWaalsContact O-N 3.11Å; F171-N285 WeakPolarHBondContact CE1-OD1 3.39Å; F171-N285 VanDerWaalsContact CZ-OD1 3.29Å; F171-N285 WeakPolarHBondContact CZ-OD1 2.92Å
172	E	78.1	Confident	81	Confident	76 Å²	76	67.3 Å²	67.3	36%	0.355	35%	0.347	S	S	.	.	H	α-helix	trans	-78.4	-33.2	167.9	-70.5	-169.4	173.2	0	0	111.4	P169 F170 R175	P169-E172 HydrophobicContact CB-CB 4.41Å; P169-E172 HydrophobicContact CB-CG 4.07Å; P169-E172 WeakPolarHBondContact CD-OE2 3.28Å; P169-E172 HydrophobicContact CG-CG 4.09Å; P169-E172 WeakPolarHBondContact O-CB 3.09Å; P169-E172 PolarHBondContact O-N 3.3Å; F170-E172 VanDerWaalsContact C-N 3.32Å; F170-E172 PolarHBondContact O-N 3.06Å; E172-R175 WeakPolarHBondContact O-CG 3.25Å; E172-R175 PolarHBondContact O-NE 2.91Å
173	V	82.1	Confident	80.9	Confident	13 Å²	13	66 Å²	66	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-79.6	-41.1	177.7	176.7	0	0	0	0	112.2	P168 P169 F170 P182 L188 C211 Q235	P168-V173 HydrophobicContact CB-CG2 3.99Å; P168-V173 HydrophobicContact CG-CG2 3.78Å; P169-V173 PolarHBondContact O-N 3.05Å; F170-V173 PolarHBondContact O-N 3.46Å; V173-P182 HydrophobicContact CG1-CG 3.85Å; V173-L188 HydrophobicContact CB-CD1 4.43Å; V173-L188 HydrophobicContact CG1-CD1 3.62Å; V173-L188 HydrophobicContact CG2-CD1 4.15Å; V173-C211 HydrophobicContact CG2-CB 4.24Å; V173-Q235 PolarHBondContact O-NE2 2.84Å; V173-Q235 VanDerWaalsContact O-NE2 3.15Å
174	Y	84.1	Confident	80.8	Confident	40 Å²	40	68.1 Å²	68.1	16%	0.157	35%	0.354	C	S	.	.			trans	-111.5	80.1	-177.1	-63.7	-77.3	0	0	0	110.6	F170 P182 Y287	F170-Y174 HydrophobicContact CD1-CD2 4.29Å; F170-Y174 AromaticContact CD2-CD2 3.73Å; F170-Y174 HydrophobicContact CD2-CD2 3.73Å; F170-Y174 AromaticContact CD2-CE2 3.94Å; F170-Y174 HydrophobicContact CD2-CE2 3.94Å; F170-Y174 HydrophobicContact CE1-CD2 4.02Å; F170-Y174 HydrophobicContact CE1-CG 4.4Å; F170-Y174 AromaticContact CE2-CD2 3.42Å; F170-Y174 HydrophobicContact CE2-CD2 3.42Å; F170-Y174 VanDerWaalsContact CE2-CD2 3.42Å; F170-Y174 AromaticContact CE2-CE2 3.55Å; F170-Y174 HydrophobicContact CE2-CE2 3.55Å; F170-Y174 HydrophobicContact CE2-CG 4.37Å; F170-Y174 HydrophobicContact CG-CD2 4.15Å; F170-Y174 AromaticContact CZ-CD2 3.58Å; F170-Y174 HydrophobicContact CZ-CD2 3.58Å; F170-Y174 HydrophobicContact CZ-CE2 4.08Å; F170-Y174 HydrophobicContact CZ-CG 4.1Å; F170-Y174 WeakPolarHBondContact O-CD2 3.36Å; F170-Y174 PolarHBondContact O-N 3.39Å; Y174-P182 WeakPolarHBondContact OH-CD 3.19Å; Y174-Y287 HydrophobicContact CD1-CD2 4.14Å; Y174-Y287 AromaticContact CD1-CE2 3.69Å; Y174-Y287 HydrophobicContact CD1-CE2 3.69Å; Y174-Y287 HydrophobicContact CE1-CE2 4.46Å; Y174-Y287 HydrophobicContact CG-CD2 4.13Å; Y174-Y287 AromaticContact CG-CE2 4Å; Y174-Y287 HydrophobicContact CG-CE2 4Å
175	R	81.6	Confident	81.1	Confident	106 Å²	106	69.6 Å²	69.6	40%	0.4	35%	0.352	S	S	.	.			trans	-83.3	-10.6	-175.7	-66.6	-162.5	-177	-175.4	-9.2	114.9	E172 S179 Q236 P286	E172-R175 WeakPolarHBondContact O-CG 3.25Å; E172-R175 PolarHBondContact O-NE 2.91Å; R175-S179 PolarHBondContact N-OG 3.33Å; R175-Q236 HydrophobicContact CB-CG 4.5Å; R175-Q236 HydrophobicContact CG-CG 4.49Å; R175-P286 WeakPolarHBondContact O-CB 3.39Å
176	N	83.4	Confident	81.4	Confident	5 Å²	5	62.7 Å²	62.7	3%	0.027	32%	0.321	C	S	.	.	S	Bend	trans	-158.1	167	174.4	59.6	51	0	0	0	111.5	E178 S179 Q236 P286 Y287	N176-E178 PolarHBondContact O-N 3.34Å; N176-E178 VanDerWaalsContact O-N 3.1Å; N176-E178 WeakPolarHBondContact OD1-CA 3.4Å; N176-E178 PolarHBondContact OD1-N 2.9Å; N176-E178 VanDerWaalsContact OD1-N 3.07Å; N176-S179 PolarHBondContact N-OG 2.91Å; N176-S179 VanDerWaalsContact O-CB 3.29Å; N176-S179 WeakPolarHBondContact O-CB 3.39Å; N176-S179 PolarHBondContact O-N 2.89Å; N176-S179 VanDerWaalsContact O-N 3.07Å; N176-S179 PolarHBondContact O-OG 2.86Å; N176-S179 PolarHBondContact OD1-N 3.17Å; N176-S179 PolarHBondContact OD1-OG 2.92Å; N176-S179 VanDerWaalsContact OD1-OG 3.08Å; N176-Q236 PolarHBondContact ND2-O 2.78Å; N176-P286 HydrophobicContact CB-CB 4.43Å; N176-Y287 WeakPolarHBondContact O-CD2 3.17Å
177	S	84	Confident	81.8	Confident	34 Å²	34	60.2 Å²	60.2	24%	0.238	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.7	-178.3	62.8	0	0	0	0	114.5	P286 Y287 N293	S177-P286 PolarHBondContact N-O 2.84Å; S177-P286 VanDerWaalsContact N-O 3.11Å; S177-Y287 WeakPolarHBondContact CA-O 3.38Å; S177-N293 PolarHBondContact OG-OD1 3.17Å
178	E	87.1	Confident	82.4	Confident	15 Å²	15	54.3 Å²	54.3	7%	0.07	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-5	178.3	-65.5	-164.6	176.3	0	0	113.8	N176 V180 Q237 N293 K296 R330	N176-E178 PolarHBondContact O-N 3.34Å; N176-E178 VanDerWaalsContact O-N 3.1Å; N176-E178 WeakPolarHBondContact OD1-CA 3.4Å; N176-E178 PolarHBondContact OD1-N 2.9Å; N176-E178 VanDerWaalsContact OD1-N 3.07Å; E178-V180 PolarHBondContact O-N 3.3Å; E178-Q237 HydrophobicContact CB-CB 4.14Å; E178-Q237 HydrophobicContact CB-CG 4.34Å; E178-Q237 VanDerWaalsContact O-CG 3.25Å; E178-Q237 WeakPolarHBondContact O-CG 3.47Å; E178-N293 HydrophobicContact CG-CB 4.28Å; E178-N293 VanDerWaalsContact CG-ND2 3.29Å; E178-N293 WeakPolarHBondContact CG-ND2 3.44Å; E178-N293 WeakPolarHBondContact OE1-CB 3.18Å; E178-K296 WeakPolarHBondContact OE1-CB 3.44Å; E178-K296 WeakPolarHBondContact OE1-CD 3.4Å; E178-K296 WeakPolarHBondContact OE1-CE 3.46Å; E178-K296 IonicContact OE1-NZ 3.64Å; E178-K296 PolarHBondContact OE1-NZ 3.29Å; E178-K296 VanDerWaalsContact OE1-NZ 3.12Å; E178-K296 WeakPolarHBondContact OE2-CE 3.38Å; E178-K296 IonicContact OE2-NZ 3.46Å; E178-K296 PolarHBondContact OE2-NZ 3.46Å; E178-R330 PolarHBondContact O-NE 2.76Å
179	S	89.4	Confident	83	Confident	7 Å²	7	53.3 Å²	53.3	5%	0.049	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-53.9	135.1	179.6	-62.2	0	0	0	0	110.2	R175 N176 Q235	R175-S179 PolarHBondContact N-OG 3.33Å; N176-S179 PolarHBondContact N-OG 2.91Å; N176-S179 VanDerWaalsContact O-CB 3.29Å; N176-S179 WeakPolarHBondContact O-CB 3.39Å; N176-S179 PolarHBondContact O-N 2.89Å; N176-S179 VanDerWaalsContact O-N 3.07Å; N176-S179 PolarHBondContact O-OG 2.86Å; N176-S179 PolarHBondContact OD1-N 3.17Å; N176-S179 PolarHBondContact OD1-OG 2.92Å; N176-S179 VanDerWaalsContact OD1-OG 3.08Å; S179-Q235 CarbonylContact C-O 3.55Å; S179-Q235 VanDerWaalsContact CA-O 3.23Å; S179-Q235 WeakPolarHBondContact CA-O 3.43Å
180	V	89.4	Confident	83.5	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.03	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-81.6	156.8	-174.5	-64.5	0	0	0	0	111.2	E178 P182 Q235 Q237 R330 E349 V352 T353	E178-V180 PolarHBondContact O-N 3.3Å; V180-P182 WeakPolarHBondContact O-CD 3.34Å; V180-Q235 PolarHBondContact N-O 2.96Å; V180-Q235 PolarHBondContact O-NE2 2.93Å; V180-Q235 PolarHBondContact O-OE1 2.84Å; V180-Q237 HydrophobicContact CG1-CG 4.2Å; V180-R330 HydrophobicContact CG1-CB 4.28Å; V180-R330 HydrophobicContact CG1-CG 3.77Å; V180-E349 HydrophobicContact CB-CG 4.24Å; V180-E349 HydrophobicContact CG1-CG 4.11Å; V180-V352 HydrophobicContact CG1-CG1 4.29Å; V180-T353 HydrophobicContact CB-CG2 3.91Å; V180-T353 HydrophobicContact CG2-CG2 4.08Å
181	T	86.3	Confident	84.2	Confident	58 Å²	58	47.3 Å²	47.3	36%	0.356	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-75.1	120.5	177.1	-47	0	0	0	0	109.5	N183 E349 T353 R355	T181-N183 PolarHBondContact O-N 2.87Å; T181-E349 VanDerWaalsContact CB-OE1 3.31Å; T181-E349 WeakPolarHBondContact CB-OE1 3.3Å; T181-E349 PolarHBondContact N-OE1 2.8Å; T181-E349 PolarHBondContact OG1-OE1 3Å; T181-T353 VanDerWaalsContact O-CG2 3.3Å; T181-T353 WeakPolarHBondContact O-CG2 3.3Å; T181-R355 VanDerWaalsContact CB-NH2 3.33Å; T181-R355 VanDerWaalsContact CG2-NH2 3.27Å
182	P	83	Confident	84.9	Confident	41 Å²	41	43.2 Å²	43.2	27%	0.266	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-55.7	139.3	178.7	-25.2	35.7	0	0	0	111.2	V173 Y174 V180 L188	V173-P182 HydrophobicContact CG1-CG 3.85Å; Y174-P182 WeakPolarHBondContact OH-CD 3.19Å; V180-P182 WeakPolarHBondContact O-CD 3.34Å; P182-L188 HydrophobicContact CB-CD1 4.25Å; P182-L188 HydrophobicContact CB-CG 4.3Å; P182-L188 HydrophobicContact CG-CD1 3.87Å; P182-L188 HydrophobicContact CG-CG 4.42Å
183	N	81.2	Confident	85.8	Confident	15 Å²	15	39.8 Å²	39.8	8%	0.08	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-104.6	127.9	175.3	-179.6	-1	0	0	0	108.5	T181 R185 S186 T353 R355	T181-N183 PolarHBondContact O-N 2.87Å; N183-R185 PolarHBondContact O-N 2.92Å; N183-R185 PolarHBondContact OD1-N 3.34Å; N183-S186 CarbonylContact O-C 3.58Å; N183-S186 WeakPolarHBondContact O-CA 3.16Å; N183-S186 PolarHBondContact O-N 3.14Å; N183-T353 VanDerWaalsContact CB-O 3.29Å; N183-T353 WeakPolarHBondContact CB-O 3.25Å; N183-T353 PolarHBondContact ND2-O 3.32Å; N183-R355 HydrophobicContact CB-CG 4.41Å; N183-R355 WeakPolarHBondContact ND2-CG 3.42Å
184	P	76.6	Confident	86.4	Confident	126 Å²	126	39.3 Å²	39.3	82%	0.818	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-27.7	174.2	-27.3	34.6	0	0	0	114	S186	P184-S186 PolarHBondContact O-N 2.81Å
185	R	75.8	Confident	87	Confident	206 Å²	206	37.4 Å²	37.4	78%	0.777	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-12.8	175.2	-62.7	-176.4	178.3	166.8	0.5	114	N183	N183-R185 PolarHBondContact O-N 2.92Å; N183-R185 PolarHBondContact OD1-N 3.34Å
186	S	77.9	Confident	87.7	Confident	16 Å²	16	32.4 Å²	32.4	11%	0.112	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-139.4	77.9	-179.5	172.9	0	0	0	0	108.4	N183 P184 K213	N183-S186 CarbonylContact O-C 3.58Å; N183-S186 WeakPolarHBondContact O-CA 3.16Å; N183-S186 PolarHBondContact O-N 3.14Å; P184-S186 PolarHBondContact O-N 2.81Å; S186-K213 WeakPolarHBondContact OG-CE 3.28Å
187	P	83.6	Confident	88.3	Confident	59 Å²	59	32.6 Å²	32.6	38%	0.383	18%	0.176	S	C	.	.			trans	-61.6	154.7	-176.8	27	-34.9	0	0	0	111.5	K213	P187-K213 PolarHBondContact O-NZ 3.34Å
188	L	88.4	Confident	88.8	Confident	20 Å²	20	31 Å²	31	11%	0.105	17%	0.165	C	C	.	.			trans	-77.6	143.9	169.2	-57.9	-179.1	0	0	0	109	L162 V173 P182 D212 K213 Q235	L162-L188 HydrophobicContact CD1-CB 3.89Å; L162-L188 WeakPolarHBondContact CD1-O 3.45Å; V173-L188 HydrophobicContact CB-CD1 4.43Å; V173-L188 HydrophobicContact CG1-CD1 3.62Å; V173-L188 HydrophobicContact CG2-CD1 4.15Å; P182-L188 HydrophobicContact CB-CD1 4.25Å; P182-L188 HydrophobicContact CB-CG 4.3Å; P182-L188 HydrophobicContact CG-CD1 3.87Å; P182-L188 HydrophobicContact CG-CG 4.42Å; L188-D212 WeakPolarHBondContact CA-O 3.19Å; L188-K213 HydrophobicContact CD2-CB 4.29Å; L188-Q235 HydrophobicContact CD1-CG 4.23Å; L188-Q235 HydrophobicContact CD2-CB 3.94Å; L188-Q235 HydrophobicContact CD2-CG 3.73Å
189	E	90.9	Very high	89	Confident	19 Å²	19	34.5 Å²	34.5	9%	0.089	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.5	-176.5	-70	164.8	177.7	0	0	108	A159 A160 Y161 Y191 D212	A159-E189 HydrophobicContact CB-CB 4.39Å; A160-E189 WeakPolarHBondContact O-CA 3.46Å; A160-E189 WeakPolarHBondContact O-CB 3.45Å; Y161-E189 HydrophobicContact CD1-CG 4.15Å; Y161-E189 HydrophobicContact CE1-CG 4.38Å; Y161-E189 WeakPolarHBondContact CE1-OE1 3.35Å; E189-Y191 HydrophobicContact CB-CD2 4.33Å; E189-Y191 HydrophobicContact CB-CE1 4.35Å; E189-Y191 HydrophobicContact CB-CE2 3.75Å; E189-Y191 WeakPolarHBondContact O-CD2 3.3Å; E189-Y191 WeakPolarHBondContact OE2-CE1 3.44Å; E189-Y191 PolarHBondContact OE2-OH 2.88Å; E189-D212 PolarHBondContact N-O 3.42Å; E189-D212 VanDerWaalsContact N-O 3.16Å; E189-D212 PolarHBondContact O-N 2.82Å; E189-D212 VanDerWaalsContact O-N 3.15Å
190	D	91.9	Very high	89.2	Confident	39 Å²	39	37.1 Å²	37.1	21%	0.209	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	115.1	166.9	-75.4	-7.5	0	0	0	107.6	A159 A160 L162 F209 K210 C211	A159-D190 CarbonylContact C-O 3.58Å; A159-D190 WeakPolarHBondContact CA-O 3.5Å; A160-D190 HydrophobicContact CB-CB 4.35Å; A160-D190 PolarHBondContact N-O 3.45Å; A160-D190 PolarHBondContact O-N 3.31Å; L162-D190 WeakPolarHBondContact CD2-OD1 3.45Å; D190-F209 CarbonylContact C-O 3.54Å; D190-F209 WeakPolarHBondContact CA-O 3.42Å; D190-K210 WeakPolarHBondContact OD1-CA 3.49Å; D190-C211 PolarHBondContact OD1-N 2.9Å
191	Y	93.8	Very high	89.4	Confident	7 Å²	7	37.4 Å²	37.4	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.4	-178.5	-68.9	-79.3	0	0	0	110.2	S158 A159 E189 T208 F209 D212 K213 V214 L216	S158-Y191 WeakPolarHBondContact O-CA 3.42Å; A159-Y191 HydrophobicContact CB-CD1 3.78Å; A159-Y191 HydrophobicContact CB-CE1 3.65Å; E189-Y191 HydrophobicContact CB-CD2 4.33Å; E189-Y191 HydrophobicContact CB-CE1 4.35Å; E189-Y191 HydrophobicContact CB-CE2 3.75Å; E189-Y191 WeakPolarHBondContact O-CD2 3.3Å; E189-Y191 WeakPolarHBondContact OE2-CE1 3.44Å; E189-Y191 PolarHBondContact OE2-OH 2.88Å; Y191-T208 CarbonylContact O-C 3.52Å; Y191-T208 WeakPolarHBondContact O-CA 3.47Å; Y191-F209 PolarHBondContact N-O 2.56Å; Y191-F209 PolarHBondContact O-N 3.16Å; Y191-D212 HydrophobicContact CD2-CB 4.4Å; Y191-D212 WeakPolarHBondContact CE2-O 3.2Å; Y191-K213 PolarHBondContact OH-NZ 3.47Å; Y191-K213 VanDerWaalsContact OH-NZ 3.08Å; Y191-V214 HydrophobicContact CD1-CB 4.36Å; Y191-V214 HydrophobicContact CD2-CB 4Å; Y191-V214 HydrophobicContact CD2-CG2 4.11Å; Y191-V214 WeakPolarHBondContact CE1-O 3.34Å; Y191-V214 HydrophobicContact CE2-CB 4.34Å; Y191-V214 HydrophobicContact CG-CB 4.01Å; Y191-V214 HydrophobicContact CG-CG2 4.33Å; Y191-L216 HydrophobicContact CD1-CD1 3.58Å; Y191-L216 HydrophobicContact CD1-CG 3.9Å; Y191-L216 HydrophobicContact CE1-CD1 4Å; Y191-L216 HydrophobicContact CE1-CG 4.12Å
192	S	94.6	Very high	89.8	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.6	170.5	-64	0	0	0	0	109.9	E138 G157 S158 H194 R207 T208	E138-S192 PolarHBondContact OE1-OG 2.92Å; G157-S192 CarbonylContact C-O 3.58Å; G157-S192 WeakPolarHBondContact CA-O 3.5Å; S158-S192 PolarHBondContact N-O 3.26Å; S158-S192 PolarHBondContact O-N 3.43Å; S158-S192 VanDerWaalsContact O-N 3.07Å; S158-S192 WeakPolarHBondContact OG-CB 3.34Å; S192-H194 VanDerWaalsContact CB-NE2 3.31Å; S192-H194 WeakPolarHBondContact CB-NE2 3.45Å; S192-R207 CarbonylContact C-O 3.56Å; S192-R207 WeakPolarHBondContact CA-O 3.38Å; S192-T208 VanDerWaalsContact OG-CG2 3.31Å; S192-T208 WeakPolarHBondContact OG-CG2 3.48Å; S192-T208 PolarHBondContact OG-OG1 2.92Å
193	L	95.6	Very high	90.3	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.7	167.5	-66.6	-164.8	0	0	0	109.7	V156 T206 R207 F209 L216 L222 L229 I231	V156-L193 WeakPolarHBondContact O-CA 3.37Å; L193-T206 CarbonylContact O-C 3.56Å; L193-T206 VanDerWaalsContact O-CA 3.24Å; L193-T206 WeakPolarHBondContact O-CA 3.39Å; L193-R207 PolarHBondContact N-O 3.01Å; L193-R207 PolarHBondContact O-N 3.17Å; L193-F209 HydrophobicContact CG-CE2 4.44Å; L193-L216 HydrophobicContact CD2-CD2 3.9Å; L193-L222 HydrophobicContact CD1-CD1 4.25Å; L193-L222 HydrophobicContact CD1-CD2 3.74Å; L193-L222 HydrophobicContact CD2-CD1 3.82Å; L193-L222 HydrophobicContact CD2-CD2 4.22Å; L193-L229 HydrophobicContact CD1-CD2 4.13Å; L193-I231 HydrophobicContact CD1-CD1 3.21Å; L193-I231 HydrophobicContact CD1-CG1 3.89Å; L193-I231 HydrophobicContact CG-CD1 4.21Å
194	H	95.6	Very high	90.9	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.019	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.5	-174.2	-53.4	-83.9	0	0	0	109.2	V133 E138 I155 V156 S158 S192 L203 T206	V133-H194 HydrophobicContact CG1-CB 3.52Å; V133-H194 WeakPolarHBondContact CG1-CD2 3.27Å; V133-H194 WeakPolarHBondContact CG1-ND1 3.47Å; E138-H194 IonicContact OE2-CE1 3.75Å; E138-H194 IonicContact OE2-NE2 2.9Å; I155-H194 CarbonylContact C-O 3.6Å; I155-H194 VanDerWaalsContact CA-O 3.27Å; I155-H194 WeakPolarHBondContact CA-O 3.23Å; V156-H194 HydrophobicContact CG2-CB 3.98Å; V156-H194 PolarHBondContact N-O 3.09Å; V156-H194 PolarHBondContact O-N 3.4Å; S158-H194 PolarHBondContact OG-NE2 3.3Å; S158-H194 VanDerWaalsContact OG-NE2 3.09Å; S192-H194 VanDerWaalsContact CB-NE2 3.31Å; S192-H194 WeakPolarHBondContact CB-NE2 3.45Å; H194-L203 HydrophobicContact CB-CD1 3.7Å; H194-T206 VanDerWaalsContact CE1-CG2 3.41Å; H194-T206 WeakPolarHBondContact CE1-CG2 3.46Å; H194-T206 VanDerWaalsContact ND1-CG2 3.27Å; H194-T206 WeakPolarHBondContact ND1-CG2 3.4Å; H194-T206 PolarHBondContact ND1-OG1 3.24Å
195	I	96.4	Very high	91.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.1	173.8	-179.5	162.3	0	0	0	109.5	Y153 V154 I155 C204 D205 V244 G248 F250	Y153-I195 HydrophobicContact CD1-CD1 4.31Å; Y153-I195 HydrophobicContact CD1-CG1 4.04Å; Y153-I195 HydrophobicContact CG-CD1 4.15Å; Y153-I195 HydrophobicContact CG-CG1 4.22Å; V154-I195 WeakPolarHBondContact O-CA 3.48Å; I155-I195 HydrophobicContact CG1-CB 4.28Å; I155-I195 HydrophobicContact CG1-CD1 4.27Å; I155-I195 HydrophobicContact CG1-CG1 4.27Å; I195-C204 HydrophobicContact CG2-CB 4.15Å; I195-C204 PolarHBondContact O-N 2.99Å; I195-D205 HydrophobicContact CG2-CB 3.64Å; I195-D205 PolarHBondContact N-O 2.79Å; I195-D205 VanDerWaalsContact N-O 3.12Å; I195-V244 HydrophobicContact CD1-CG1 3.53Å; I195-G248 WeakPolarHBondContact CG2-O 3.25Å; I195-F250 HydrophobicContact CB-CE1 4.34Å; I195-F250 HydrophobicContact CB-CE2 3.88Å; I195-F250 HydrophobicContact CB-CZ 3.63Å; I195-F250 HydrophobicContact CG2-CD2 4.07Å; I195-F250 HydrophobicContact CG2-CE2 3.55Å; I195-F250 HydrophobicContact CG2-CZ 3.81Å
196	I	96.3	Very high	92.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.3	-171.9	-58.6	162.8	0	0	0	108.4	L82 I84 T131 V133 Y153 V154 V156 R202 L203	L82-I196 HydrophobicContact CB-CD1 4.08Å; L82-I196 HydrophobicContact CD2-CD1 3.64Å; L82-I196 HydrophobicContact CG-CD1 4.5Å; I84-I196 HydrophobicContact CD1-CG2 4.17Å; T131-I196 HydrophobicContact CG2-CD1 4.36Å; T131-I196 HydrophobicContact CG2-CG1 4.3Å; T131-I196 HydrophobicContact CG2-CG2 4.02Å; V133-I196 HydrophobicContact CG2-CD1 3.56Å; V133-I196 HydrophobicContact CG2-CG1 4.43Å; Y153-I196 CarbonylContact C-O 3.49Å; Y153-I196 VanDerWaalsContact CA-O 3.3Å; Y153-I196 WeakPolarHBondContact CA-O 3.33Å; V154-I196 HydrophobicContact CG1-CB 3.96Å; V154-I196 PolarHBondContact N-O 3.38Å; V154-I196 PolarHBondContact O-N 2.94Å; V156-I196 HydrophobicContact CG2-CD1 3.72Å; I196-R202 WeakPolarHBondContact CA-O 3.46Å; I196-L203 HydrophobicContact CG1-CD1 4.07Å
197	D	95.9	Very high	93.5	Very high	9 Å²	9	37 Å²	37	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	119.3	172.6	-177.3	-7.7	0	0	0	109.6	Y153 H199 T200 G201 R202	Y153-D197 HydrophobicContact CD1-CB 4.01Å; Y153-D197 HydrophobicContact CE1-CB 3.8Å; D197-H199 VanDerWaalsContact C-N 3.29Å; D197-H199 PolarHBondContact O-N 3.49Å; D197-H199 WeakPolarHBondContact OD1-CB 3.49Å; D197-H199 PolarHBondContact OD1-N 3.32Å; D197-T200 WeakPolarHBondContact CB-OG1 3.15Å; D197-T200 WeakPolarHBondContact OD2-CG2 3.48Å; D197-T200 PolarHBondContact OD2-OG1 3.33Å; D197-G201 VanDerWaalsContact O-CA 3.25Å; D197-G201 WeakPolarHBondContact O-CA 3.17Å; D197-G201 PolarHBondContact O-N 2.92Å; D197-R202 PolarHBondContact N-O 2.8Å
198	L	93.8	Very high	94	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-27.8	-179.3	-68.9	171.4	0	0	0	112.6	Y71 I73 I84 F147 C151 R152 V154	Y71-L198 HydrophobicContact CD2-CB 4.22Å; Y71-L198 HydrophobicContact CD2-CD1 4.47Å; Y71-L198 HydrophobicContact CE2-CB 4.47Å; I73-L198 HydrophobicContact CG2-CD2 3.93Å; I84-L198 HydrophobicContact CD1-CD2 4.11Å; I84-L198 HydrophobicContact CG1-CD2 4.13Å; I84-L198 HydrophobicContact CG2-CD2 4.17Å; F147-L198 HydrophobicContact CD1-CD1 3.95Å; F147-L198 HydrophobicContact CE1-CD1 3.93Å; C151-L198 WeakPolarHBondContact O-CD1 3.25Å; R152-L198 WeakPolarHBondContact O-CB 3.11Å; R152-L198 PolarHBondContact O-N 3.17Å; V154-L198 HydrophobicContact CB-CD1 4.48Å; V154-L198 HydrophobicContact CB-CD2 4.14Å; V154-L198 HydrophobicContact CB-CG 4.35Å; V154-L198 HydrophobicContact CG1-CD2 3.67Å; V154-L198 HydrophobicContact CG1-CG 4.17Å
199	H	92.9	Very high	94.2	Very high	89 Å²	89	37.8 Å²	37.8	41%	0.412	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-32.6	-176.9	-66.6	178.5	0	0	0	113.1	Y71 H129 D197	Y71-H199 AromaticContact CE2-CD2 3.44Å; Y71-H199 VanDerWaalsContact CE2-CD2 3.44Å; Y71-H199 WeakPolarHBondContact CE2-CD2 3.27Å; Y71-H199 AromaticContact CE2-NE2 3.54Å; Y71-H199 AromaticContact CZ-CD2 3.47Å; Y71-H199 VanDerWaalsContact CZ-CD2 3.47Å; Y71-H199 AromaticContact CZ-NE2 3.88Å; Y71-H199 PolarHBondContact OH-CD2 2.86Å; Y71-H199 PolarHBondContact OH-NE2 3.34Å; H129-H199 PolarHBondContact NE2-O 3.41Å; H129-H199 VanDerWaalsContact NE2-O 3.17Å; D197-H199 VanDerWaalsContact C-N 3.29Å; D197-H199 PolarHBondContact O-N 3.49Å; D197-H199 WeakPolarHBondContact OD1-CB 3.49Å; D197-H199 PolarHBondContact OD1-N 3.32Å
200	T	92.9	Very high	94.1	Very high	62 Å²	62	42 Å²	42	38%	0.38	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-13.7	-177.3	64.3	0	0	0	0	113.2	D197 R202	D197-T200 WeakPolarHBondContact CB-OG1 3.15Å; D197-T200 WeakPolarHBondContact OD2-CG2 3.48Å; D197-T200 PolarHBondContact OD2-OG1 3.33Å; T200-R202 PolarHBondContact O-N 2.97Å
201	G	93.4	Very high	93.9	Very high	12 Å²	12	40.2 Å²	40.2	12%	0.124	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	24.4	-174.7	0	0	0	0	0	113.3	H129 T131 D197	H129-G201 PolarHBondContact CD2-N 2.84Å; T131-G201 PolarHBondContact OG1-O 3.2Å; D197-G201 VanDerWaalsContact O-CA 3.25Å; D197-G201 WeakPolarHBondContact O-CA 3.17Å; D197-G201 PolarHBondContact O-N 2.92Å
202	R	94.2	Very high	93.8	Very high	182 Å²	182	39.9 Å²	39.9	69%	0.687	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.5	-177.5	-69.6	-177.5	174.5	-174.9	-1.2	111	I196 D197 T200 C204	I196-R202 WeakPolarHBondContact CA-O 3.46Å; D197-R202 PolarHBondContact N-O 2.8Å; T200-R202 PolarHBondContact O-N 2.97Å; R202-C204 PolarHBondContact O-N 2.68Å; R202-C204 PolarHBondContact O-SG 2.94Å; R202-C204 VanDerWaalsContact O-SG 3.35Å
203	L	94.9	Very high	93.7	Very high	69 Å²	69	41.8 Å²	41.8	36%	0.361	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	116.2	163.4	177.8	64.1	0	0	0	108.6	T131 V133 H194 I196	T131-L203 HydrophobicContact CG2-CB 4.06Å; V133-L203 HydrophobicContact CG1-CD1 4.44Å; H194-L203 HydrophobicContact CB-CD1 3.7Å; I196-L203 HydrophobicContact CG1-CD1 4.07Å
204	C	93.9	Very high	93.6	Very high	46 Å²	46	41.8 Å²	41.8	31%	0.311	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-45.5	-172.3	-63.1	0	0	0	0	112.6	I195 R202 G248	I195-C204 HydrophobicContact CG2-CB 4.15Å; I195-C204 PolarHBondContact O-N 2.99Å; R202-C204 PolarHBondContact O-N 2.68Å; R202-C204 PolarHBondContact O-SG 2.94Å; R202-C204 VanDerWaalsContact O-SG 3.35Å; C204-G248 WeakPolarHBondContact CB-O 3.47Å
205	D	95	Very high	93.4	Very high	30 Å²	30	43.1 Å²	43.1	16%	0.16	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	162.4	178.7	-164.2	4.8	0	0	0	110.6	I195 R207 T249 F250	I195-D205 HydrophobicContact CG2-CB 3.64Å; I195-D205 PolarHBondContact N-O 2.79Å; I195-D205 VanDerWaalsContact N-O 3.12Å; D205-R207 IonicContact OD1-CZ 2.8Å; D205-R207 IonicContact OD1-NH1 3.32Å; D205-R207 PolarHBondContact OD1-NH1 2.67Å; D205-R207 IonicContact OD1-NH2 3.5Å; D205-R207 IonicContact OD2-CZ 3.49Å; D205-R207 IonicContact OD2-NH1 3.98Å; D205-R207 PolarHBondContact OD2-NH1 2.88Å; D205-R207 IonicContact OD2-NH2 2.63Å; D205-R207 PolarHBondContact OD2-NH2 3.12Å; D205-T249 HydrophobicContact CB-CG2 4.35Å; D205-F250 HydrophobicContact CB-CD2 4.08Å; D205-F250 PolarHBondContact OD2-N 2.97Å
206	T	94.8	Very high	93.2	Very high	43 Å²	43	43.3 Å²	43.3	26%	0.264	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	137.5	178.1	-64.6	0	0	0	0	110.9	L193 H194	L193-T206 CarbonylContact O-C 3.56Å; L193-T206 VanDerWaalsContact O-CA 3.24Å; L193-T206 WeakPolarHBondContact O-CA 3.39Å; H194-T206 VanDerWaalsContact CE1-CG2 3.41Å; H194-T206 WeakPolarHBondContact CE1-CG2 3.46Å; H194-T206 VanDerWaalsContact ND1-CG2 3.27Å; H194-T206 WeakPolarHBondContact ND1-CG2 3.4Å; H194-T206 PolarHBondContact ND1-OG1 3.24Å
207	R	94.8	Very high	92.9	Very high	82 Å²	82	45.5 Å²	45.5	31%	0.309	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129	175.6	-71	-71.2	174.5	-85.2	-7.3	110.2	S192 L193 D205 F209 F242 F250	S192-R207 CarbonylContact C-O 3.56Å; S192-R207 WeakPolarHBondContact CA-O 3.38Å; L193-R207 PolarHBondContact N-O 3.01Å; L193-R207 PolarHBondContact O-N 3.17Å; D205-R207 IonicContact OD1-CZ 2.8Å; D205-R207 IonicContact OD1-NH1 3.32Å; D205-R207 PolarHBondContact OD1-NH1 2.67Å; D205-R207 IonicContact OD1-NH2 3.5Å; D205-R207 IonicContact OD2-CZ 3.49Å; D205-R207 IonicContact OD2-NH1 3.98Å; D205-R207 PolarHBondContact OD2-NH1 2.88Å; D205-R207 IonicContact OD2-NH2 2.63Å; D205-R207 PolarHBondContact OD2-NH2 3.12Å; R207-F209 HydrophobicContact CB-CE2 4.37Å; R207-F242 HydrophobicContact CG-CE1 4.42Å; R207-F250 HydrophobicContact CB-CD2 4.36Å; R207-F250 HydrophobicContact CG-CB 3.8Å; R207-F250 HydrophobicContact CG-CD2 3.61Å; R207-F250 HydrophobicContact CG-CE2 4.47Å; R207-F250 HydrophobicContact CG-CG 3.97Å; R207-F250 PolarHBondContact NH2-O 2.85Å
208	T	93.3	Very high	92.6	Very high	77 Å²	77	47.2 Å²	47.2	47%	0.472	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.7	-171.5	-43.6	0	0	0	0	111.2	Y191 S192	Y191-T208 CarbonylContact O-C 3.52Å; Y191-T208 WeakPolarHBondContact O-CA 3.47Å; S192-T208 VanDerWaalsContact OG-CG2 3.31Å; S192-T208 WeakPolarHBondContact OG-CG2 3.48Å; S192-T208 PolarHBondContact OG-OG1 2.92Å
209	F	92.5	Very high	92.5	Very high	20 Å²	20	47.3 Å²	47.3	9%	0.088	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	112.3	178.6	-57.8	-86.6	0	0	0	108.2	D190 Y191 L193 R207 D212 I231 H240 F242	D190-F209 CarbonylContact C-O 3.54Å; D190-F209 WeakPolarHBondContact CA-O 3.42Å; Y191-F209 PolarHBondContact N-O 2.56Å; Y191-F209 PolarHBondContact O-N 3.16Å; L193-F209 HydrophobicContact CG-CE2 4.44Å; R207-F209 HydrophobicContact CB-CE2 4.37Å; F209-D212 HydrophobicContact CB-CB 4.26Å; F209-I231 HydrophobicContact CE2-CD1 3.64Å; F209-I231 HydrophobicContact CE2-CG2 4.46Å; F209-I231 HydrophobicContact CZ-CD1 3.47Å; F209-I231 VanDerWaalsContact CZ-CD1 3.47Å; F209-I231 HydrophobicContact CZ-CG2 4.4Å; F209-H240 HydrophobicContact CE1-CB 4.29Å; F209-H240 AromaticContact CE1-CD2 3.57Å; F209-H240 AromaticContact CE1-CG 3.86Å; F209-F242 HydrophobicContact CE1-CE2 4.43Å; F209-F242 HydrophobicContact CE1-CZ 4.3Å; F209-F242 AromaticContact CZ-CE2 3.83Å; F209-F242 HydrophobicContact CZ-CE2 3.83Å; F209-F242 AromaticContact CZ-CZ 3.85Å; F209-F242 HydrophobicContact CZ-CZ 3.85Å
210	K	90.2	Very high	92.4	Very high	106 Å²	106	45 Å²	45	46%	0.461	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	144.1	-176.1	-63.6	-170.5	177.2	-171.6	0	112.4	D190 D212 Q236	D190-K210 WeakPolarHBondContact OD1-CA 3.49Å; K210-D212 PolarHBondContact O-N 3.08Å; K210-Q236 PolarHBondContact O-NE2 2.77Å
211	C	87.9	Confident	92.4	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.02	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.6	44.9	174	-62.8	0	0	0	0	112.5	L162 P168 V173 D190	L162-C211 HydrophobicContact CD1-CB 4.45Å; P168-C211 WeakPolarHBondContact CB-SG 3.41Å; V173-C211 HydrophobicContact CG2-CB 4.24Å; D190-C211 PolarHBondContact OD1-N 2.9Å
212	D	90.8	Very high	92.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	175.8	-171.9	-154.7	-14.8	0	0	0	111.3	L188 E189 Y191 F209 K210 S233 Q235	L188-D212 WeakPolarHBondContact CA-O 3.19Å; E189-D212 PolarHBondContact N-O 3.42Å; E189-D212 VanDerWaalsContact N-O 3.16Å; E189-D212 PolarHBondContact O-N 2.82Å; E189-D212 VanDerWaalsContact O-N 3.15Å; Y191-D212 HydrophobicContact CD2-CB 4.4Å; Y191-D212 WeakPolarHBondContact CE2-O 3.2Å; F209-D212 HydrophobicContact CB-CB 4.26Å; K210-D212 PolarHBondContact O-N 3.08Å; D212-S233 PolarHBondContact OD1-OG 3.15Å; D212-S233 WeakPolarHBondContact OD2-CB 3.36Å; D212-S233 PolarHBondContact OD2-OG 3.28Å; D212-Q235 WeakPolarHBondContact OD1-CB 3.35Å; D212-Q235 PolarHBondContact OD1-N 2.77Å
213	K	91.9	Very high	92.5	Very high	41 Å²	41	33.1 Å²	33.1	18%	0.178	17%	0.171	C	C	.	.			trans	-127.5	101	163.6	-167	70.5	-170.6	170.1	0	110.3	S186 P187 L188 Y191 V234 Q235	S186-K213 WeakPolarHBondContact OG-CE 3.28Å; P187-K213 PolarHBondContact O-NZ 3.34Å; L188-K213 HydrophobicContact CD2-CB 4.29Å; Y191-K213 PolarHBondContact OH-NZ 3.47Å; Y191-K213 VanDerWaalsContact OH-NZ 3.08Å; K213-V234 HydrophobicContact CB-CB 4.29Å; K213-V234 WeakPolarHBondContact O-CB 3.31Å; K213-V234 WeakPolarHBondContact O-CG2 3.13Å; K213-V234 PolarHBondContact O-N 3.09Å; K213-Q235 HydrophobicContact CB-CB 4.13Å
214	V	93.8	Very high	92.4	Very high	3 Å²	3	30 Å²	30	2%	0.018	16%	0.155	C	C	.	.			trans	-111.4	121.9	171.3	-176.4	0	0	0	0	108.8	Y191 L216 L222 I231	Y191-V214 HydrophobicContact CD1-CB 4.36Å; Y191-V214 HydrophobicContact CD2-CB 4Å; Y191-V214 HydrophobicContact CD2-CG2 4.11Å; Y191-V214 WeakPolarHBondContact CE1-O 3.34Å; Y191-V214 HydrophobicContact CE2-CB 4.34Å; Y191-V214 HydrophobicContact CG-CB 4.01Å; Y191-V214 HydrophobicContact CG-CG2 4.33Å; V214-L216 HydrophobicContact CG1-CD2 3.95Å; V214-L216 PolarHBondContact O-N 3.2Å; V214-L222 HydrophobicContact CG1-CD2 4.05Å; V214-I231 HydrophobicContact CG1-CG2 3.95Å; V214-I231 HydrophobicContact CG2-CG2 4.25Å
215	I	92.4	Very high	92.3	Very high	32 Å²	32	28.5 Å²	28.5	16%	0.164	14%	0.143	C	C	.	.			trans	-81.1	85.4	-177.3	-52.5	176	0	0	0	109.8	S217 Q220 G221 V234 W332	I215-S217 VanDerWaalsContact C-N 3.33Å; I215-S217 PolarHBondContact O-N 2.94Å; I215-Q220 HydrophobicContact CB-CB 4.19Å; I215-Q220 HydrophobicContact CG2-CB 3.79Å; I215-Q220 PolarHBondContact O-N 3.09Å; I215-G221 PolarHBondContact O-N 3.05Å; I215-V234 HydrophobicContact CD1-CG2 4.47Å; I215-V234 HydrophobicContact CG1-CG2 4.46Å; I215-W332 HydrophobicContact CD1-CE3 4.44Å; I215-W332 HydrophobicContact CD1-CH2 4.03Å; I215-W332 HydrophobicContact CD1-CZ3 3.88Å
216	L	92.2	Very high	92	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-27.8	179.5	-63.1	-176.9	0	0	0	113.6	N141 C144 Y191 L193 V214 H218 N219 L222	N141-L216 HydrophobicContact CB-CB 3.97Å; N141-L216 HydrophobicContact CB-CD1 4.04Å; C144-L216 HydrophobicContact CB-CB 4.06Å; Y191-L216 HydrophobicContact CD1-CD1 3.58Å; Y191-L216 HydrophobicContact CD1-CG 3.9Å; Y191-L216 HydrophobicContact CE1-CD1 4Å; Y191-L216 HydrophobicContact CE1-CG 4.12Å; L193-L216 HydrophobicContact CD2-CD2 3.9Å; V214-L216 HydrophobicContact CG1-CD2 3.95Å; V214-L216 PolarHBondContact O-N 3.2Å; L216-H218 PolarHBondContact O-N 3.38Å; L216-N219 PolarHBondContact O-N 3.07Å; L216-L222 HydrophobicContact CD2-CD1 3.79Å; L216-L222 HydrophobicContact CD2-CD2 4.31Å; L216-L222 HydrophobicContact CD2-CG 4.12Å
217	S	90.6	Very high	91.9	Very high	46 Å²	46	31.2 Å²	31.2	32%	0.322	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-58.7	123.3	-178.7	-68.7	0	0	0	0	112.1	E143 I215 N219 Q220	E143-S217 WeakPolarHBondContact OE2-CB 3.41Å; I215-S217 VanDerWaalsContact C-N 3.33Å; I215-S217 PolarHBondContact O-N 2.94Å; S217-N219 PolarHBondContact O-N 3.34Å; S217-Q220 WeakPolarHBondContact O-CG 3.48Å; S217-Q220 PolarHBondContact O-N 2.87Å; S217-Q220 PolarHBondContact O-NE2 3Å
218	H	88.9	Confident	91.9	Very high	45 Å²	45	28.6 Å²	28.6	21%	0.208	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	51.3	37.5	-174.3	-53.1	-61	0	0	0	113.7	E143 L216 Q220 S452	E143-H218 VanDerWaalsContact CD-CE1 3.41Å; E143-H218 IonicContact OE1-CE1 2.67Å; E143-H218 PolarHBondContact OE1-CE1 3.22Å; E143-H218 IonicContact OE1-NE2 2.84Å; E143-H218 IonicContact OE2-CD2 2.76Å; E143-H218 IonicContact OE2-CE1 3.8Å; E143-H218 PolarHBondContact OE2-CE1 3.03Å; E143-H218 IonicContact OE2-CG 3.12Å; E143-H218 IonicContact OE2-ND1 2.97Å; E143-H218 IonicContact OE2-NE2 3.58Å; E143-H218 PolarHBondContact OE2-NE2 2.94Å; L216-H218 PolarHBondContact O-N 3.38Å; H218-Q220 PolarHBondContact O-N 3.38Å; H218-Q220 VanDerWaalsContact O-N 3.12Å; H218-S452 WeakPolarHBondContact O-CB 3.15Å; H218-S452 PolarHBondContact O-OG 2.99Å
219	N	92.1	Very high	92	Very high	3 Å²	3	25 Å²	25	2%	0.016	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	53.6	33.3	176.9	-51.6	-26.7	0	0	0	113.2	C144 S145 L146 L216 S217 A453	C144-N219 WeakPolarHBondContact CA-OD1 3.46Å; S145-N219 PolarHBondContact N-OD1 3.34Å; S145-N219 PolarHBondContact O-ND2 2.81Å; L146-N219 HydrophobicContact CD2-CB 4.05Å; L146-N219 VanDerWaalsContact CD2-ND2 3.31Å; L146-N219 WeakPolarHBondContact CD2-ND2 3.41Å; L216-N219 PolarHBondContact O-N 3.07Å; S217-N219 PolarHBondContact O-N 3.34Å; N219-A453 PolarHBondContact ND2-O 2.81Å
220	Q	90.6	Very high	92.2	Very high	41 Å²	41	24 Å²	24	19%	0.192	12%	0.118	C	C	.	.	S	Bend	trans	-75.5	-30.9	-173.4	-78.8	-178.1	67	0	0	113.8	I215 S217 H218 K333 S452	I215-Q220 HydrophobicContact CB-CB 4.19Å; I215-Q220 HydrophobicContact CG2-CB 3.79Å; I215-Q220 PolarHBondContact O-N 3.09Å; S217-Q220 WeakPolarHBondContact O-CG 3.48Å; S217-Q220 PolarHBondContact O-N 2.87Å; S217-Q220 PolarHBondContact O-NE2 3Å; H218-Q220 PolarHBondContact O-N 3.38Å; H218-Q220 VanDerWaalsContact O-N 3.12Å; Q220-K333 VanDerWaalsContact OE1-CE 3.25Å; Q220-S452 VanDerWaalsContact CG-OG 3.3Å; Q220-S452 WeakPolarHBondContact CG-OG 3.42Å
221	G	91.9	Very high	92.5	Very high	2 Å²	2	19 Å²	19	2%	0.021	10%	0.096	C	C	.	.	S	Bend	trans	-93.3	-3	177.3	0	0	0	0	0	113.8	I215 L232	I215-G221 PolarHBondContact O-N 3.05Å; G221-L232 PolarHBondContact O-N 2.71Å
222	L	95	Very high	92.9	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.01	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.1	-174.9	-53	-178.5	0	0	0	110.1	C144 L146 L193 V214 L216 A230 I231	C144-L222 WeakPolarHBondContact SG-CD1 3.2Å; L146-L222 HydrophobicContact CD1-CB 3.75Å; L146-L222 HydrophobicContact CD1-CD1 4.29Å; L193-L222 HydrophobicContact CD1-CD1 4.25Å; L193-L222 HydrophobicContact CD1-CD2 3.74Å; L193-L222 HydrophobicContact CD2-CD1 3.82Å; L193-L222 HydrophobicContact CD2-CD2 4.22Å; V214-L222 HydrophobicContact CG1-CD2 4.05Å; L216-L222 HydrophobicContact CD2-CD1 3.79Å; L216-L222 HydrophobicContact CD2-CD2 4.31Å; L216-L222 HydrophobicContact CD2-CG 4.12Å; L222-A230 WeakPolarHBondContact CA-O 3.38Å; L222-I231 HydrophobicContact CD2-CB 4.16Å; L222-I231 HydrophobicContact CD2-CD1 4.45Å; L222-I231 HydrophobicContact CD2-CG1 3.8Å; L222-I231 HydrophobicContact CD2-CG2 3.78Å
223	Y	95.3	Very high	93.1	Very high	1 Å²	1	18.9 Å²	18.9	0%	0.004	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	120.2	172.2	-155.2	-78.7	0	0	0	111	L229 A230 Q335 L336 A400 I451 A453	Y223-L229 CarbonylContact O-C 3.52Å; Y223-L229 WeakPolarHBondContact O-CA 3.36Å; Y223-A230 PolarHBondContact N-O 2.89Å; Y223-A230 PolarHBondContact O-N 2.77Å; Y223-Q335 HydrophobicContact CD2-CB 4.02Å; Y223-Q335 HydrophobicContact CD2-CG 3.98Å; Y223-Q335 HydrophobicContact CE1-CG 4.41Å; Y223-Q335 HydrophobicContact CE2-CB 4Å; Y223-Q335 HydrophobicContact CE2-CG 3.5Å; Y223-Q335 PolarHBondContact OH-NE2 2.86Å; Y223-Q335 VanDerWaalsContact OH-NE2 3.15Å; Y223-L336 HydrophobicContact CD1-CB 3.57Å; Y223-L336 HydrophobicContact CD1-CD1 4.11Å; Y223-L336 HydrophobicContact CD1-CG 4.1Å; Y223-L336 HydrophobicContact CE1-CB 3.88Å; Y223-L336 VanDerWaalsContact CE1-O 3.26Å; Y223-L336 WeakPolarHBondContact CE1-O 3.42Å; Y223-L336 HydrophobicContact CG-CB 4.39Å; Y223-A400 HydrophobicContact CE1-CB 4.28Å; Y223-I451 VanDerWaalsContact CE2-O 3.23Å; Y223-I451 WeakPolarHBondContact CE2-O 3.21Å; Y223-A453 HydrophobicContact CD1-CB 4.27Å; Y223-A453 HydrophobicContact CD2-CB 3.68Å; Y223-A453 HydrophobicContact CE2-CB 3.94Å; Y223-A453 HydrophobicContact CG-CB 3.86Å
224	L	93.5	Very high	93.2	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.016	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.8	173.3	-178.5	69.1	0	0	0	108.9	L146 F147 T148 I155 I228 L229 V244	L146-L224 HydrophobicContact CB-CB 4.37Å; L146-L224 HydrophobicContact CB-CD2 4.25Å; L146-L224 HydrophobicContact CD1-CB 4.05Å; F147-L224 WeakPolarHBondContact O-CD2 3.38Å; T148-L224 HydrophobicContact CG2-CD2 4.41Å; I155-L224 HydrophobicContact CD1-CD1 4.4Å; I155-L224 HydrophobicContact CD1-CD2 4.24Å; L224-I228 WeakPolarHBondContact CA-O 3.49Å; L224-L229 HydrophobicContact CB-CD1 4.28Å; L224-L229 HydrophobicContact CD1-CB 4.07Å; L224-L229 HydrophobicContact CD1-CD1 4.5Å; L224-V244 HydrophobicContact CD1-CG2 4.11Å
225	Y	91.7	Very high	93.1	Very high	15 Å²	15	17.1 Å²	17.1	6%	0.059	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	114.8	172.9	-179.2	-103.1	0	0	0	108.9	N227 I228 D338 E339 N399 H403	Y225-N227 PolarHBondContact O-N 2.79Å; Y225-I228 PolarHBondContact N-O 2.84Å; Y225-I228 PolarHBondContact O-N 2.83Å; Y225-D338 VanDerWaalsContact CD1-C 3.48Å; Y225-D338 VanDerWaalsContact CE1-C 3.47Å; Y225-D338 VanDerWaalsContact CE1-CA 3.48Å; Y225-D338 HydrophobicContact CE1-CB 4.29Å; Y225-E339 HydrophobicContact CD1-CG 4.19Å; Y225-E339 HydrophobicContact CE1-CG 3.8Å; Y225-N399 HydrophobicContact CD2-CB 4.38Å; Y225-N399 HydrophobicContact CE2-CB 3.94Å; Y225-H403 AromaticContact CE2-CD2 3.57Å; Y225-H403 AromaticContact CE2-NE2 3.13Å; Y225-H403 WeakPolarHBondContact CE2-NE2 3.46Å; Y225-H403 AromaticContact CZ-CD2 3.88Å; Y225-H403 AromaticContact CZ-NE2 3.22Å; Y225-H403 PolarHBondContact OH-CE1 2.86Å; Y225-H403 PolarHBondContact OH-NE2 3.42Å
226	K	89	Confident	93	Very high	69 Å²	69	15.9 Å²	15.9	30%	0.3	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-109	-168.5	-60.5	177.1	-178.4	178.2	0	110.7	D149 E339	D149-K226 WeakPolarHBondContact OD2-CA 3.24Å; K226-E339 HydrophobicContact CD-CG 4.38Å; K226-E339 VanDerWaalsContact CD-OE1 3.28Å; K226-E339 WeakPolarHBondContact CD-OE1 3.36Å; K226-E339 IonicContact NZ-OE1 3.79Å; K226-E339 PolarHBondContact NZ-OE1 3.48Å
227	N	91.7	Very high	93.1	Very high	61 Å²	61	15.8 Å²	15.8	33%	0.326	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	3.1	178.4	65.1	-25.5	0	0	0	113.3	Y225 Q243 V244	Y225-N227 PolarHBondContact O-N 2.79Å; N227-Q243 PolarHBondContact ND2-NE2 3.02Å; N227-Q243 CarbonylContact O-C 3.57Å; N227-Q243 WeakPolarHBondContact O-CA 3.46Å; N227-V244 PolarHBondContact O-N 3.23Å
228	I	94.4	Very high	93.3	Very high	28 Å²	28	14 Å²	14	14%	0.144	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.4	178.9	-55.8	-177.5	0	0	0	109.1	L224 Y225 V241 F242 L336 E339	L224-I228 WeakPolarHBondContact CA-O 3.49Å; Y225-I228 PolarHBondContact N-O 2.84Å; Y225-I228 PolarHBondContact O-N 2.83Å; I228-V241 HydrophobicContact CG2-CG1 3.65Å; I228-F242 WeakPolarHBondContact CA-O 3.24Å; I228-L336 HydrophobicContact CB-CD1 4.42Å; I228-L336 HydrophobicContact CG2-CD1 4.04Å; I228-E339 HydrophobicContact CD1-CB 3.82Å; I228-E339 HydrophobicContact CD1-CG 4.33Å; I228-E339 WeakPolarHBondContact CD1-O 3.46Å
229	L	95.4	Very high	93.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.2	175.9	174.9	69.6	0	0	0	109.4	L146 I155 L193 Y223 L224 I231 V241 F242 V244 F250	L146-L229 HydrophobicContact CD1-CD1 4.12Å; I155-L229 HydrophobicContact CD1-CD2 4.26Å; L193-L229 HydrophobicContact CD1-CD2 4.13Å; Y223-L229 CarbonylContact O-C 3.52Å; Y223-L229 WeakPolarHBondContact O-CA 3.36Å; L224-L229 HydrophobicContact CB-CD1 4.28Å; L224-L229 HydrophobicContact CD1-CB 4.07Å; L224-L229 HydrophobicContact CD1-CD1 4.5Å; L229-I231 HydrophobicContact CD2-CD1 4.26Å; L229-I231 HydrophobicContact CD2-CG1 4.36Å; L229-I231 HydrophobicContact CG-CG1 4.22Å; L229-V241 WeakPolarHBondContact O-CA 3.3Å; L229-F242 HydrophobicContact CB-CB 4.31Å; L229-F242 PolarHBondContact N-O 3.01Å; L229-F242 PolarHBondContact O-N 3.25Å; L229-V244 HydrophobicContact CB-CG2 4.21Å; L229-F250 HydrophobicContact CD2-CD1 4.09Å; L229-F250 HydrophobicContact CD2-CE1 3.62Å; L229-F250 HydrophobicContact CD2-CZ 4.4Å
230	A	96.4	Very high	93.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	138.2	169.6	0	0	0	0	0	110.6	L222 Y223 I239 H240 M334 L336 L342	L222-A230 WeakPolarHBondContact CA-O 3.38Å; Y223-A230 PolarHBondContact N-O 2.89Å; Y223-A230 PolarHBondContact O-N 2.77Å; A230-I239 HydrophobicContact CB-CG2 4.31Å; A230-H240 CarbonylContact C-O 3.52Å; A230-H240 WeakPolarHBondContact CA-O 3.46Å; A230-M334 HydrophobicContact CB-CE 3.52Å; A230-M334 HydrophobicContact CB-SD 4.04Å; A230-M334 WeakPolarHBondContact O-CE 3.3Å; A230-L336 HydrophobicContact CB-CD1 3.88Å; A230-L336 HydrophobicContact CB-CD2 4.39Å; A230-L336 HydrophobicContact CB-CG 4.06Å; A230-L342 HydrophobicContact CB-CD2 4.36Å
231	I	97.1	Very high	94.1	Very high	1 Å²	1	11 Å²	11	1%	0.005	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126	175	-51.8	174.6	0	0	0	110.2	L193 F209 V214 L222 L229 I239 H240 F242 M334	L193-I231 HydrophobicContact CD1-CD1 3.21Å; L193-I231 HydrophobicContact CD1-CG1 3.89Å; L193-I231 HydrophobicContact CG-CD1 4.21Å; F209-I231 HydrophobicContact CE2-CD1 3.64Å; F209-I231 HydrophobicContact CE2-CG2 4.46Å; F209-I231 HydrophobicContact CZ-CD1 3.47Å; F209-I231 VanDerWaalsContact CZ-CD1 3.47Å; F209-I231 HydrophobicContact CZ-CG2 4.4Å; V214-I231 HydrophobicContact CG1-CG2 3.95Å; V214-I231 HydrophobicContact CG2-CG2 4.25Å; L222-I231 HydrophobicContact CD2-CB 4.16Å; L222-I231 HydrophobicContact CD2-CD1 4.45Å; L222-I231 HydrophobicContact CD2-CG1 3.8Å; L222-I231 HydrophobicContact CD2-CG2 3.78Å; L229-I231 HydrophobicContact CD2-CD1 4.26Å; L229-I231 HydrophobicContact CD2-CG1 4.36Å; L229-I231 HydrophobicContact CG-CG1 4.22Å; I231-I239 CarbonylContact O-C 3.09Å; I231-I239 WeakPolarHBondContact O-CA 3.44Å; I231-H240 HydrophobicContact CB-CB 4.41Å; I231-H240 PolarHBondContact N-O 2.86Å; I231-H240 PolarHBondContact O-N 2.85Å; I231-F242 HydrophobicContact CD1-CD2 3.73Å; I231-F242 HydrophobicContact CD1-CE2 3.48Å; I231-F242 VanDerWaalsContact CD1-CE2 3.48Å; I231-F242 HydrophobicContact CG1-CD2 4.22Å; I231-F242 HydrophobicContact CG1-CE2 4.2Å; I231-M334 VanDerWaalsContact CA-CE 3.48Å; I231-M334 VanDerWaalsContact N-CE 3.32Å
232	L	96.6	Very high	94.3	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	110.9	176.5	177.6	63.6	0	0	0	109.9	G221 V234 I239 M331 M334	G221-L232 PolarHBondContact O-N 2.71Å; L232-V234 HydrophobicContact CD2-CG2 4.1Å; L232-V234 HydrophobicContact CG-CG2 4.06Å; L232-V234 PolarHBondContact O-N 3.38Å; L232-I239 HydrophobicContact CD1-CD1 4.44Å; L232-I239 HydrophobicContact CD1-CG1 3.7Å; L232-M331 HydrophobicContact CD1-CB 4.01Å; L232-M331 HydrophobicContact CD1-CE 4.13Å; L232-M331 HydrophobicContact CD1-SD 4.33Å; L232-M334 HydrophobicContact CB-CE 3.79Å; L232-M334 HydrophobicContact CB-CG 3.87Å; L232-M334 HydrophobicContact CB-SD 3.79Å; L232-M334 HydrophobicContact CD2-CG 4.38Å
233	S	95.3	Very high	94.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	102.1	162.9	174.3	0	0	0	0	108.9	D212 Q236 Q237 T238	D212-S233 PolarHBondContact OD1-OG 3.15Å; D212-S233 WeakPolarHBondContact OD2-CB 3.36Å; D212-S233 PolarHBondContact OD2-OG 3.28Å; S233-Q236 WeakPolarHBondContact OG-CB 3.43Å; S233-Q236 WeakPolarHBondContact OG-CG 3.43Å; S233-Q236 PolarHBondContact OG-N 3.15Å; S233-Q236 VanDerWaalsContact OG-N 3.16Å; S233-Q237 VanDerWaalsContact O-CA 3.32Å; S233-Q237 WeakPolarHBondContact O-CA 3.44Å; S233-Q237 PolarHBondContact O-N 3.48Å; S233-T238 WeakPolarHBondContact CA-O 3.23Å; S233-T238 VanDerWaalsContact CB-O 3.27Å; S233-T238 WeakPolarHBondContact CB-O 3.26Å; S233-T238 PolarHBondContact N-O 3.3Å; S233-T238 PolarHBondContact O-N 2.91Å; S233-T238 VanDerWaalsContact O-N 3.14Å
234	V	93.5	Very high	94.3	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.018	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-38.5	179.3	-179.1	0	0	0	0	110.2	K213 I215 L232 Q237 V352	K213-V234 HydrophobicContact CB-CB 4.29Å; K213-V234 WeakPolarHBondContact O-CB 3.31Å; K213-V234 WeakPolarHBondContact O-CG2 3.13Å; K213-V234 PolarHBondContact O-N 3.09Å; I215-V234 HydrophobicContact CD1-CG2 4.47Å; I215-V234 HydrophobicContact CG1-CG2 4.46Å; L232-V234 HydrophobicContact CD2-CG2 4.1Å; L232-V234 HydrophobicContact CG-CG2 4.06Å; L232-V234 PolarHBondContact O-N 3.38Å; V234-Q237 PolarHBondContact O-NE2 2.79Å; V234-V352 HydrophobicContact CG1-CG1 3.24Å
235	Q	92.2	Very high	94.3	Very high	3 Å²	3	15.9 Å²	15.9	1%	0.014	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-48.7	179	175.4	56.3	24.6	0	0	110.7	V173 S179 V180 L188 D212 K213	V173-Q235 PolarHBondContact O-NE2 2.84Å; V173-Q235 VanDerWaalsContact O-NE2 3.15Å; S179-Q235 CarbonylContact C-O 3.55Å; S179-Q235 VanDerWaalsContact CA-O 3.23Å; S179-Q235 WeakPolarHBondContact CA-O 3.43Å; V180-Q235 PolarHBondContact N-O 2.96Å; V180-Q235 PolarHBondContact O-NE2 2.93Å; V180-Q235 PolarHBondContact O-OE1 2.84Å; L188-Q235 HydrophobicContact CD1-CG 4.23Å; L188-Q235 HydrophobicContact CD2-CB 3.94Å; L188-Q235 HydrophobicContact CD2-CG 3.73Å; D212-Q235 WeakPolarHBondContact OD1-CB 3.35Å; D212-Q235 PolarHBondContact OD1-N 2.77Å; K213-Q235 HydrophobicContact CB-CB 4.13Å
236	Q	90.6	Very high	94.3	Very high	7 Å²	7	19.5 Å²	19.5	3%	0.033	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	4.8	-174.4	-44.5	171.2	5	0	0	112.4	R175 N176 K210 S233 T238	R175-Q236 HydrophobicContact CB-CG 4.5Å; R175-Q236 HydrophobicContact CG-CG 4.49Å; N176-Q236 PolarHBondContact ND2-O 2.78Å; K210-Q236 PolarHBondContact O-NE2 2.77Å; S233-Q236 WeakPolarHBondContact OG-CB 3.43Å; S233-Q236 WeakPolarHBondContact OG-CG 3.43Å; S233-Q236 PolarHBondContact OG-N 3.15Å; S233-Q236 VanDerWaalsContact OG-N 3.16Å; Q236-T238 VanDerWaalsContact C-N 3.27Å; Q236-T238 PolarHBondContact O-N 2.97Å; Q236-T238 PolarHBondContact O-OG1 2.85Å
237	Q	94.1	Very high	94.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	50.4	178.8	-66.9	-67.7	-65.1	0	0	112.7	E178 V180 S233 V234 R330 M331	E178-Q237 HydrophobicContact CB-CB 4.14Å; E178-Q237 HydrophobicContact CB-CG 4.34Å; E178-Q237 VanDerWaalsContact O-CG 3.25Å; E178-Q237 WeakPolarHBondContact O-CG 3.47Å; V180-Q237 HydrophobicContact CG1-CG 4.2Å; S233-Q237 VanDerWaalsContact O-CA 3.32Å; S233-Q237 WeakPolarHBondContact O-CA 3.44Å; S233-Q237 PolarHBondContact O-N 3.48Å; V234-Q237 PolarHBondContact O-NE2 2.79Å; Q237-R330 VanDerWaalsContact OE1-CA 3.3Å; Q237-M331 HydrophobicContact CB-CE 4.11Å; Q237-M331 PolarHBondContact NE2-O 3.38Å; Q237-M331 VanDerWaalsContact NE2-O 3.14Å; Q237-M331 WeakPolarHBondContact O-CE 3.21Å
238	T	94.4	Very high	94.3	Very high	10 Å²	10	19.6 Å²	19.6	6%	0.061	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.5	-173.8	-62.4	0	0	0	0	110	S233 Q236 T255 I256	S233-T238 WeakPolarHBondContact CA-O 3.23Å; S233-T238 VanDerWaalsContact CB-O 3.27Å; S233-T238 WeakPolarHBondContact CB-O 3.26Å; S233-T238 PolarHBondContact N-O 3.3Å; S233-T238 PolarHBondContact O-N 2.91Å; S233-T238 VanDerWaalsContact O-N 3.14Å; Q236-T238 VanDerWaalsContact C-N 3.27Å; Q236-T238 PolarHBondContact O-N 2.97Å; Q236-T238 PolarHBondContact O-OG1 2.85Å; T238-T255 HydrophobicContact CG2-CG2 3.18Å; T238-I256 CarbonylContact C-O 3.55Å; T238-I256 WeakPolarHBondContact CA-O 3.4Å
239	I	96.5	Very high	94.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	115.3	173.8	-61.5	170.6	0	0	0	107.6	A230 I231 L232 V241 I256 M331 M334 L342 I344	A230-I239 HydrophobicContact CB-CG2 4.31Å; I231-I239 CarbonylContact O-C 3.09Å; I231-I239 WeakPolarHBondContact O-CA 3.44Å; L232-I239 HydrophobicContact CD1-CD1 4.44Å; L232-I239 HydrophobicContact CD1-CG1 3.7Å; I239-V241 HydrophobicContact CG2-CG2 4.13Å; I239-I256 HydrophobicContact CB-CB 4.34Å; I239-I256 PolarHBondContact N-O 3.39Å; I239-I256 PolarHBondContact O-N 2.5Å; I239-M331 HydrophobicContact CD1-SD 3.89Å; I239-M331 HydrophobicContact CG1-CE 4.38Å; I239-M331 HydrophobicContact CG1-SD 4.18Å; I239-M334 HydrophobicContact CB-SD 4.29Å; I239-M334 HydrophobicContact CD1-CB 4.46Å; I239-M334 HydrophobicContact CD1-SD 3.93Å; I239-M334 HydrophobicContact CG1-SD 3.83Å; I239-M334 HydrophobicContact CG2-CE 4.36Å; I239-M334 HydrophobicContact CG2-SD 3.55Å; I239-M334 VanDerWaalsContact CG2-SD 3.55Å; I239-L342 HydrophobicContact CD1-CD1 4.02Å; I239-L342 HydrophobicContact CG2-CD1 4.14Å; I239-I344 HydrophobicContact CD1-CD1 3.59Å; I239-I344 HydrophobicContact CD1-CG1 3.94Å
240	H	95.8	Very high	94.3	Very high	22 Å²	22	21 Å²	21	10%	0.102	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.8	173.9	-57.5	-78.3	0	0	0	109.1	F209 A230 I231 F242 T255	F209-H240 HydrophobicContact CE1-CB 4.29Å; F209-H240 AromaticContact CE1-CD2 3.57Å; F209-H240 AromaticContact CE1-CG 3.86Å; A230-H240 CarbonylContact C-O 3.52Å; A230-H240 WeakPolarHBondContact CA-O 3.46Å; I231-H240 HydrophobicContact CB-CB 4.41Å; I231-H240 PolarHBondContact N-O 2.86Å; I231-H240 PolarHBondContact O-N 2.85Å; H240-F242 HydrophobicContact CB-CD2 4.34Å; H240-F242 HydrophobicContact CB-CE2 3.43Å; H240-F242 VanDerWaalsContact CB-CE2 3.43Å; H240-F242 HydrophobicContact CB-CZ 3.9Å; H240-T255 PolarHBondContact ND1-OG1 3.03Å
241	V	95.9	Very high	94.2	Very high	3 Å²	3	25 Å²	25	2%	0.018	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.8	-179	-177.1	0	0	0	0	108.4	I228 L229 I239 V253 R254 I256 M370	I228-V241 HydrophobicContact CG2-CG1 3.65Å; L229-V241 WeakPolarHBondContact O-CA 3.3Å; I239-V241 HydrophobicContact CG2-CG2 4.13Å; V241-V253 HydrophobicContact CG1-CB 4.45Å; V241-V253 WeakPolarHBondContact O-CB 3.33Å; V241-V253 PolarHBondContact O-N 3.46Å; V241-R254 HydrophobicContact CB-CG 3.66Å; V241-R254 HydrophobicContact CG1-CG 4.28Å; V241-R254 HydrophobicContact CG2-CG 3.88Å; V241-R254 PolarHBondContact N-O 3.14Å; V241-R254 PolarHBondContact O-N 3.09Å; V241-I256 HydrophobicContact CG2-CD1 3.91Å; V241-M370 HydrophobicContact CG1-SD 4.49Å; V241-M370 HydrophobicContact CG2-SD 3.86Å
242	F	95.9	Very high	94	Very high	9 Å²	9	29.5 Å²	29.5	4%	0.039	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	150.6	178.1	-59.2	-85.5	0	0	0	110.4	R207 F209 I228 L229 I231 H240 F250 I251 D252	R207-F242 HydrophobicContact CG-CE1 4.42Å; F209-F242 HydrophobicContact CE1-CE2 4.43Å; F209-F242 HydrophobicContact CE1-CZ 4.3Å; F209-F242 AromaticContact CZ-CE2 3.83Å; F209-F242 HydrophobicContact CZ-CE2 3.83Å; F209-F242 AromaticContact CZ-CZ 3.85Å; F209-F242 HydrophobicContact CZ-CZ 3.85Å; I228-F242 WeakPolarHBondContact CA-O 3.24Å; L229-F242 HydrophobicContact CB-CB 4.31Å; L229-F242 PolarHBondContact N-O 3.01Å; L229-F242 PolarHBondContact O-N 3.25Å; I231-F242 HydrophobicContact CD1-CD2 3.73Å; I231-F242 HydrophobicContact CD1-CE2 3.48Å; I231-F242 VanDerWaalsContact CD1-CE2 3.48Å; I231-F242 HydrophobicContact CG1-CD2 4.22Å; I231-F242 HydrophobicContact CG1-CE2 4.2Å; H240-F242 HydrophobicContact CB-CD2 4.34Å; H240-F242 HydrophobicContact CB-CE2 3.43Å; H240-F242 VanDerWaalsContact CB-CE2 3.43Å; H240-F242 HydrophobicContact CB-CZ 3.9Å; F242-F250 HydrophobicContact CD1-CB 4.25Å; F242-I251 CarbonylContact C-O 3.47Å; F242-I251 WeakPolarHBondContact CA-O 3.33Å; F242-D252 HydrophobicContact CD1-CB 4.25Å; F242-D252 HydrophobicContact CE1-CB 4.08Å
243	Q	95.4	Very high	93.8	Very high	81 Å²	81	31.3 Å²	31.3	38%	0.379	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.9	165.7	-177.3	174.1	-10.9	0	0	108.8	N227 I251 V253	N227-Q243 PolarHBondContact ND2-NE2 3.02Å; N227-Q243 CarbonylContact O-C 3.57Å; N227-Q243 WeakPolarHBondContact O-CA 3.46Å; Q243-I251 HydrophobicContact CB-CB 4.44Å; Q243-I251 PolarHBondContact N-O 2.83Å; Q243-I251 PolarHBondContact O-N 3.2Å; Q243-V253 HydrophobicContact CB-CG2 3.56Å
244	V	94.6	Very high	93.6	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	120.6	173.5	-175.8	0	0	0	0	108.1	T148 I155 I195 L224 N227 L229 T249 F250	T148-V244 HydrophobicContact CG2-CG1 4.21Å; I155-V244 HydrophobicContact CD1-CG2 4.09Å; I195-V244 HydrophobicContact CD1-CG1 3.53Å; L224-V244 HydrophobicContact CD1-CG2 4.11Å; N227-V244 PolarHBondContact O-N 3.23Å; L229-V244 HydrophobicContact CB-CG2 4.21Å; V244-T249 WeakPolarHBondContact CA-O 3.38Å; V244-F250 HydrophobicContact CG2-CD1 4.22Å; V244-F250 HydrophobicContact CG2-CE1 4.17Å
245	T	94.4	Very high	93.5	Very high	14 Å²	14	37.2 Å²	37.2	9%	0.086	20%	0.197	C	C	.	.			trans	-79.3	158	178.8	63.1	0	0	0	0	111.6	E247 G248 T249 I251	T245-E247 WeakPolarHBondContact CB-OE2 3.31Å; T245-E247 PolarHBondContact O-N 3.48Å; T245-E247 VanDerWaalsContact O-N 3.15Å; T245-G248 PolarHBondContact O-N 2.9Å; T245-G248 PolarHBondContact OG1-N 2.77Å; T245-T249 WeakPolarHBondContact CG2-OG1 3.31Å; T245-T249 PolarHBondContact N-O 3.06Å; T245-T249 PolarHBondContact OG1-N 3.31Å; T245-T249 PolarHBondContact OG1-O 3.12Å; T245-T249 PolarHBondContact OG1-OG1 2.8Å; T245-I251 HydrophobicContact CG2-CD1 3.29Å; T245-I251 HydrophobicContact CG2-CG1 3.66Å
246	P	90.4	Very high	93.6	Very high	91 Å²	91	37.1 Å²	37.1	59%	0.591	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.2	170	-23.2	34.6	0	0	0	114.1	R152 Y153	R152-P246 PolarHBondContact NH1-O 2.92Å; Y153-P246 WeakPolarHBondContact CE2-O 3.46Å; Y153-P246 PolarHBondContact OH-O 3.39Å; Y153-P246 VanDerWaalsContact OH-O 3.11Å
247	E	90.1	Very high	93.7	Very high	131 Å²	131	37 Å²	37	61%	0.612	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-8.9	175.6	-60.8	73.1	-153.6	0	0	113.1	Y153 T245	Y153-E247 PolarHBondContact OH-O 2.83Å; T245-E247 WeakPolarHBondContact CB-OE2 3.31Å; T245-E247 PolarHBondContact O-N 3.48Å; T245-E247 VanDerWaalsContact O-N 3.15Å
248	G	90.2	Very high	93.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	85.8	37.3	177.8	0	0	0	0	0	114	Y153 I195 C204 T245	Y153-G248 PolarHBondContact OH-N 3.46Å; I195-G248 WeakPolarHBondContact CG2-O 3.25Å; C204-G248 WeakPolarHBondContact CB-O 3.47Å; T245-G248 PolarHBondContact O-N 2.9Å; T245-G248 PolarHBondContact OG1-N 2.77Å
249	T	94.8	Very high	93.2	Very high	53 Å²	53	40.1 Å²	40.1	33%	0.325	21%	0.208	S	C	.	.			trans	-117.5	156.6	175.5	59.6	0	0	0	0	111.8	D205 V244 T245	D205-T249 HydrophobicContact CB-CG2 4.35Å; V244-T249 WeakPolarHBondContact CA-O 3.38Å; T245-T249 WeakPolarHBondContact CG2-OG1 3.31Å; T245-T249 PolarHBondContact N-O 3.06Å; T245-T249 PolarHBondContact OG1-N 3.31Å; T245-T249 PolarHBondContact OG1-O 3.12Å; T245-T249 PolarHBondContact OG1-OG1 2.8Å
250	F	95.7	Very high	92.9	Very high	5 Å²	5	40.6 Å²	40.6	2%	0.022	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	114	177.5	-62.7	-62.4	0	0	0	110.9	I155 I195 D205 R207 L229 F242 V244	I155-F250 HydrophobicContact CD1-CE1 4Å; I155-F250 HydrophobicContact CD1-CZ 4.41Å; I155-F250 HydrophobicContact CG1-CE1 4.24Å; I155-F250 HydrophobicContact CG1-CZ 4.16Å; I155-F250 HydrophobicContact CG2-CZ 4.14Å; I195-F250 HydrophobicContact CB-CE1 4.34Å; I195-F250 HydrophobicContact CB-CE2 3.88Å; I195-F250 HydrophobicContact CB-CZ 3.63Å; I195-F250 HydrophobicContact CG2-CD2 4.07Å; I195-F250 HydrophobicContact CG2-CE2 3.55Å; I195-F250 HydrophobicContact CG2-CZ 3.81Å; D205-F250 HydrophobicContact CB-CD2 4.08Å; D205-F250 PolarHBondContact OD2-N 2.97Å; R207-F250 HydrophobicContact CB-CD2 4.36Å; R207-F250 HydrophobicContact CG-CB 3.8Å; R207-F250 HydrophobicContact CG-CD2 3.61Å; R207-F250 HydrophobicContact CG-CE2 4.47Å; R207-F250 HydrophobicContact CG-CG 3.97Å; R207-F250 PolarHBondContact NH2-O 2.85Å; L229-F250 HydrophobicContact CD2-CD1 4.09Å; L229-F250 HydrophobicContact CD2-CE1 3.62Å; L229-F250 HydrophobicContact CD2-CZ 4.4Å; F242-F250 HydrophobicContact CD1-CB 4.25Å; V244-F250 HydrophobicContact CG2-CD1 4.22Å; V244-F250 HydrophobicContact CG2-CE1 4.17Å
251	I	95.5	Very high	92.5	Very high	85 Å²	85	44.4 Å²	44.4	44%	0.436	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.5	170.2	-62.7	177.5	0	0	0	108.3	F242 Q243 T245 V253	F242-I251 CarbonylContact C-O 3.47Å; F242-I251 WeakPolarHBondContact CA-O 3.33Å; Q243-I251 HydrophobicContact CB-CB 4.44Å; Q243-I251 PolarHBondContact N-O 2.83Å; Q243-I251 PolarHBondContact O-N 3.2Å; T245-I251 HydrophobicContact CG2-CD1 3.29Å; T245-I251 HydrophobicContact CG2-CG1 3.66Å; I251-V253 PolarHBondContact O-N 3.03Å
252	D	92.4	Very high	91.8	Very high	94 Å²	94	51.5 Å²	51.5	50%	0.503	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	120.7	171.6	-168.8	-6.5	0	0	0	108.9	F242 R254	F242-D252 HydrophobicContact CD1-CB 4.25Å; F242-D252 HydrophobicContact CE1-CB 4.08Å; D252-R254 PolarHBondContact OD1-N 3.2Å
253	V	91.1	Very high	91.3	Very high	40 Å²	40	55.5 Å²	55.5	24%	0.242	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-46.6	-179.5	-178.4	0	0	0	0	110	V241 Q243 I251	V241-V253 HydrophobicContact CG1-CB 4.45Å; V241-V253 WeakPolarHBondContact O-CB 3.33Å; V241-V253 PolarHBondContact O-N 3.46Å; Q243-V253 HydrophobicContact CB-CG2 3.56Å; I251-V253 PolarHBondContact O-N 3.03Å
254	R	91.5	Very high	90.9	Very high	62 Å²	62	53.2 Å²	53.2	23%	0.234	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	155.5	-178.3	58.7	-169.6	67.9	164.6	13	112.1	V241 D252 I256 M370	V241-R254 HydrophobicContact CB-CG 3.66Å; V241-R254 HydrophobicContact CG1-CG 4.28Å; V241-R254 HydrophobicContact CG2-CG 3.88Å; V241-R254 PolarHBondContact N-O 3.14Å; V241-R254 PolarHBondContact O-N 3.09Å; D252-R254 PolarHBondContact OD1-N 3.2Å; R254-I256 HydrophobicContact CG-CD1 4.24Å; R254-I256 HydrophobicContact CG-CG1 4.2Å; R254-M370 PolarHBondContact NH1-O 3.24Å
255	T	92.8	Very high	90.3	Very high	65 Å²	65	56.3 Å²	56.3	40%	0.399	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.1	173.6	-69.1	0	0	0	0	109.3	T238 H240	T238-T255 HydrophobicContact CG2-CG2 3.18Å; H240-T255 PolarHBondContact ND1-OG1 3.03Å
256	I	93.9	Very high	89.8	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.7	-172.1	-54.9	164.5	0	0	0	109.5	T238 I239 V241 R254 L295 L342 Y368 M370	T238-I256 CarbonylContact C-O 3.55Å; T238-I256 WeakPolarHBondContact CA-O 3.4Å; I239-I256 HydrophobicContact CB-CB 4.34Å; I239-I256 PolarHBondContact N-O 3.39Å; I239-I256 PolarHBondContact O-N 2.5Å; V241-I256 HydrophobicContact CG2-CD1 3.91Å; R254-I256 HydrophobicContact CG-CD1 4.24Å; R254-I256 HydrophobicContact CG-CG1 4.2Å; I256-L295 HydrophobicContact CG2-CD1 4.2Å; I256-L295 HydrophobicContact CG2-CD2 4.14Å; I256-L342 HydrophobicContact CD1-CD1 3.64Å; I256-Y368 HydrophobicContact CD1-CE1 4.17Å; I256-Y368 HydrophobicContact CG2-CD1 4.46Å; I256-Y368 HydrophobicContact CG2-CE1 3.75Å; I256-M370 HydrophobicContact CD1-CB 4.14Å; I256-M370 HydrophobicContact CD1-CG 3.62Å; I256-M370 HydrophobicContact CD1-SD 3.74Å
257	G	91.4	Very high	89.5	Confident	3 Å²	3	60.9 Å²	60.9	3%	0.031	31%	0.308	C	S	.	.	S	Bend	trans	167.2	-93.4	178.1	0	0	0	0	0	111.6	F259 L295	G257-F259 VanDerWaalsContact C-N 3.3Å; G257-F259 PolarHBondContact N-O 3.27Å; G257-F259 PolarHBondContact O-N 3.28Å; G257-L295 WeakPolarHBondContact O-CB 3.35Å; G257-L295 PolarHBondContact O-N 2.86Å
258	R	89.8	Confident	89.1	Confident	45 Å²	45	57.5 Å²	57.5	17%	0.17	29%	0.294	C	S	.	.	S	Bend	trans	-54.4	-47.8	172.4	-177.2	178.7	172.8	-144.2	-4.5	111.4	E289 S294	R258-E289 IonicContact CZ-OE1 3.44Å; R258-E289 IonicContact CZ-OE2 3.51Å; R258-E289 IonicContact NE-OE1 3.73Å; R258-E289 PolarHBondContact NE-OE1 3.22Å; R258-E289 IonicContact NE-OE2 3.69Å; R258-E289 PolarHBondContact NE-OE2 2.98Å; R258-E289 VanDerWaalsContact NH2-CD 3.34Å; R258-E289 IonicContact NH2-OE1 3.81Å; R258-E289 PolarHBondContact NH2-OE1 2.79Å; R258-E289 IonicContact NH2-OE2 2.97Å; R258-E289 PolarHBondContact NH2-OE2 2.98Å; R258-S294 VanDerWaalsContact O-CB 3.31Å; R258-S294 WeakPolarHBondContact O-CB 3.4Å; R258-S294 PolarHBondContact O-N 3.44Å; R258-S294 PolarHBondContact O-OG 2.92Å
259	F	90	Very high	88.6	Confident	31 Å²	31	58.3 Å²	58.3	14%	0.136	30%	0.299	C	S	.	.			trans	-115.1	160.8	173.6	-58.8	-48.8	0	0	0	110.9	G257 D264 L265 L268	G257-F259 VanDerWaalsContact C-N 3.3Å; G257-F259 PolarHBondContact N-O 3.27Å; G257-F259 PolarHBondContact O-N 3.28Å; F259-D264 HydrophobicContact CB-CB 3.8Å; F259-D264 HydrophobicContact CD1-CB 3.68Å; F259-D264 HydrophobicContact CG-CB 3.77Å; F259-L265 HydrophobicContact CD2-CB 4.15Å; F259-L265 HydrophobicContact CE2-CB 3.86Å; F259-L265 HydrophobicContact CE2-CD1 3.88Å; F259-L265 HydrophobicContact CE2-CG 4.35Å; F259-L265 HydrophobicContact CZ-CB 4.49Å; F259-L265 HydrophobicContact CZ-CD1 4.16Å; F259-L268 HydrophobicContact CD1-CD1 4.1Å; F259-L268 HydrophobicContact CE1-CD1 3.18Å; F259-L268 HydrophobicContact CZ-CD1 3.67Å
260	C	89.2	Confident	88	Confident	10 Å²	10	59.4 Å²	59.4	7%	0.068	31%	0.314	C	S	.	.	S	Bend	trans	-116.4	-32	176	-70.4	0	0	0	0	112	D264 Y368 T373	C260-D264 PolarHBondContact N-OD2 3.41Å; C260-Y368 WeakPolarHBondContact CB-OH 3.22Å; C260-Y368 PolarHBondContact SG-OH 3.47Å; C260-Y368 VanDerWaalsContact SG-OH 3.37Å; C260-T373 HydrophobicContact CB-CG2 4Å
261	Y	87.3	Confident	87.3	Confident	103 Å²	103	63.7 Å²	63.7	40%	0.404	34%	0.341	S	S	.	.	S	Bend	trans	-102.6	152.6	170.8	-62.3	-73.1	0	0	0	110.8	D263 D264 R298 T372 T373	Y261-D263 VanDerWaalsContact C-N 3.3Å; Y261-D263 VanDerWaalsContact CB-OD1 3.31Å; Y261-D263 WeakPolarHBondContact CB-OD1 3.45Å; Y261-D263 PolarHBondContact O-N 2.83Å; Y261-D264 PolarHBondContact N-OD2 3.33Å; Y261-D264 WeakPolarHBondContact O-CB 3.23Å; Y261-D264 PolarHBondContact O-N 3.1Å; Y261-R298 VanDerWaalsContact CE2-NH2 3.29Å; Y261-T372 PolarHBondContact OH-O 2.97Å; Y261-T373 HydrophobicContact CD1-CG2 3.57Å; Y261-T373 HydrophobicContact CD2-CG2 4.34Å; Y261-T373 HydrophobicContact CE1-CG2 3.28Å; Y261-T373 HydrophobicContact CE2-CG2 4.13Å; Y261-T373 WeakPolarHBondContact CE2-OG1 3.29Å; Y261-T373 HydrophobicContact CG-CG2 4.1Å; Y261-T373 PolarHBondContact OH-OG1 2.9Å
262	E	81.6	Confident	86.2	Confident	152 Å²	152	64.8 Å²	64.8	71%	0.71	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-30.1	-179.3	-69.6	169.8	-151.4	0	0	112.5
263	D	85.5	Confident	84.9	Confident	92 Å²	92	63.6 Å²	63.6	49%	0.492	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	0.9	-179.4	64.4	-25.7	0	0	0	113.8	Y261 L265 L266 T267	Y261-D263 VanDerWaalsContact C-N 3.3Å; Y261-D263 VanDerWaalsContact CB-OD1 3.31Å; Y261-D263 WeakPolarHBondContact CB-OD1 3.45Å; Y261-D263 PolarHBondContact O-N 2.83Å; D263-L265 VanDerWaalsContact C-N 3.28Å; D263-L265 PolarHBondContact O-N 2.94Å; D263-L266 WeakPolarHBondContact O-CB 3.23Å; D263-L266 PolarHBondContact O-N 3.32Å; D263-L266 VanDerWaalsContact O-N 3.16Å; D263-T267 PolarHBondContact O-N 3.23Å; D263-T267 PolarHBondContact O-OG1 3.45Å; D263-T267 VanDerWaalsContact O-OG1 3.05Å
264	D	86.1	Confident	83.7	Confident	33 Å²	33	68.4 Å²	68.4	18%	0.176	36%	0.357	C	S	.	.	H	α-helix	trans	-56.7	-44	176.5	-80.4	-22.6	0	0	0	110.8	F259 C260 Y261 L266 T267 L268	F259-D264 HydrophobicContact CB-CB 3.8Å; F259-D264 HydrophobicContact CD1-CB 3.68Å; F259-D264 HydrophobicContact CG-CB 3.77Å; C260-D264 PolarHBondContact N-OD2 3.41Å; Y261-D264 PolarHBondContact N-OD2 3.33Å; Y261-D264 WeakPolarHBondContact O-CB 3.23Å; Y261-D264 PolarHBondContact O-N 3.1Å; D264-L266 VanDerWaalsContact C-N 3.35Å; D264-L266 PolarHBondContact O-N 2.75Å; D264-T267 PolarHBondContact O-N 2.79Å; D264-L268 WeakPolarHBondContact O-CB 3.47Å; D264-L268 WeakPolarHBondContact O-CG 3.46Å; D264-L268 PolarHBondContact O-N 2.74Å
265	L	82.8	Confident	82.3	Confident	73 Å²	73	67 Å²	67	38%	0.382	36%	0.355	S	S	.	.	H	α-helix	trans	-64.5	-40.9	179.5	178.6	59.6	0	0	0	111.5	F259 D263 L268 S269 V275	F259-L265 HydrophobicContact CD2-CB 4.15Å; F259-L265 HydrophobicContact CE2-CB 3.86Å; F259-L265 HydrophobicContact CE2-CD1 3.88Å; F259-L265 HydrophobicContact CE2-CG 4.35Å; F259-L265 HydrophobicContact CZ-CB 4.49Å; F259-L265 HydrophobicContact CZ-CD1 4.16Å; D263-L265 VanDerWaalsContact C-N 3.28Å; D263-L265 PolarHBondContact O-N 2.94Å; L265-L268 PolarHBondContact O-N 3.16Å; L265-S269 VanDerWaalsContact O-CB 3.3Å; L265-S269 WeakPolarHBondContact O-CB 3.34Å; L265-S269 PolarHBondContact O-N 3.07Å; L265-S269 PolarHBondContact O-OG 3.41Å; L265-V275 HydrophobicContact CD1-CG1 4.34Å
266	L	84.3	Confident	80.5	Confident	122 Å²	122	68.3 Å²	68.3	64%	0.639	36%	0.357	S	S	*	.	H	α-helix	trans	-62.5	-46.6	177.4	-179.4	63.5	0	0	0	110.2	D263 D264 L268 S269 A270	D263-L266 WeakPolarHBondContact O-CB 3.23Å; D263-L266 PolarHBondContact O-N 3.32Å; D263-L266 VanDerWaalsContact O-N 3.16Å; D264-L266 VanDerWaalsContact C-N 3.35Å; D264-L266 PolarHBondContact O-N 2.75Å; L266-L268 PolarHBondContact O-N 3.4Å; L266-S269 PolarHBondContact O-N 2.86Å; L266-S269 PolarHBondContact O-OG 3.07Å; L266-A270 PolarHBondContact O-N 3.02Å
267	T	83.9	Confident	78.5	Confident	79 Å²	79	76.3 Å²	76.3	49%	0.485	39%	0.387	S	S	.	.	H	α-helix	trans	-61.1	-46.5	178.8	-57.3	0	0	0	0	111.7	D263 D264 S269 A270 V271	D263-T267 PolarHBondContact O-N 3.23Å; D263-T267 PolarHBondContact O-OG1 3.45Å; D263-T267 VanDerWaalsContact O-OG1 3.05Å; D264-T267 PolarHBondContact O-N 2.79Å; T267-S269 PolarHBondContact O-N 2.83Å; T267-A270 PolarHBondContact O-N 3.04Å; T267-V271 WeakPolarHBondContact O-CG2 3.01Å; T267-V271 PolarHBondContact O-N 3.27Å
268	L	80.7	Confident	76.7	Confident	59 Å²	59	79.1 Å²	79.1	31%	0.309	40%	0.401	S	S	.	.	H	α-helix	trans	-63.1	-41.8	176.5	-78	165.9	0	0	0	112.1	F259 D264 L265 L266 A270 V271 Y272	F259-L268 HydrophobicContact CD1-CD1 4.1Å; F259-L268 HydrophobicContact CE1-CD1 3.18Å; F259-L268 HydrophobicContact CZ-CD1 3.67Å; D264-L268 WeakPolarHBondContact O-CB 3.47Å; D264-L268 WeakPolarHBondContact O-CG 3.46Å; D264-L268 PolarHBondContact O-N 2.74Å; L265-L268 PolarHBondContact O-N 3.16Å; L266-L268 PolarHBondContact O-N 3.4Å; L268-A270 PolarHBondContact O-N 3.05Å; L268-V271 PolarHBondContact O-N 3.21Å; L268-Y272 HydrophobicContact CD2-CD2 4.01Å; L268-Y272 HydrophobicContact CD2-CE2 4.01Å; L268-Y272 PolarHBondContact O-N 3.38Å
269	S	80.5	Confident	74.9	Confident	17 Å²	17	80.1 Å²	80.1	12%	0.119	42%	0.415	C	S	.	.	H	α-helix	trans	-64.7	-28.9	178.7	76.4	0	0	0	0	113.2	L265 L266 T267	L265-S269 VanDerWaalsContact O-CB 3.3Å; L265-S269 WeakPolarHBondContact O-CB 3.34Å; L265-S269 PolarHBondContact O-N 3.07Å; L265-S269 PolarHBondContact O-OG 3.41Å; L266-S269 PolarHBondContact O-N 2.86Å; L266-S269 PolarHBondContact O-OG 3.07Å; T267-S269 PolarHBondContact O-N 2.83Å
270	A	82.4	Confident	72.9	Confident	77 Å²	77	86.4 Å²	86.4	64%	0.636	45%	0.445	S	S	*	.	H	α-helix	trans	-75	-31	176.7	0	0	0	0	0	112.9	L266 T267 L268	L266-A270 PolarHBondContact O-N 3.02Å; T267-A270 PolarHBondContact O-N 3.04Å; L268-A270 PolarHBondContact O-N 3.05Å
271	V	80.4	Confident	70.9	Confident	95 Å²	95	90.6 Å²	90.6	58%	0.576	47%	0.47	S	S	*	.	H	α-helix	trans	-91.2	-33.3	-178.4	179.4	0	0	0	0	112.1	T267 L268 P273	T267-V271 WeakPolarHBondContact O-CG2 3.01Å; T267-V271 PolarHBondContact O-N 3.27Å; L268-V271 PolarHBondContact O-N 3.21Å; V271-P273 WeakPolarHBondContact O-CD 3.12Å
272	Y	72.9	Confident	68.9	Low	108 Å²	108	89 Å²	89	42%	0.424	49%	0.485	S	S	.	.			trans	-116.3	95	-177.5	-63.2	-78.7	0	0	0	110.4	L268 E274 V275	L268-Y272 HydrophobicContact CD2-CD2 4.01Å; L268-Y272 HydrophobicContact CD2-CE2 4.01Å; L268-Y272 PolarHBondContact O-N 3.38Å; Y272-E274 PolarHBondContact O-N 3.18Å; Y272-V275 WeakPolarHBondContact O-CB 3.48Å; Y272-V275 PolarHBondContact O-N 3.09Å
273	P	65.1	Low	67.2	Low	68 Å²	68	86.8 Å²	86.8	44%	0.442	48%	0.476	S	S	.	.	H	α-helix	trans	-61.2	-21.4	-177.4	-21.4	31.7	0	0	0	113.8	V271 V275 Q276 R277	V271-P273 WeakPolarHBondContact O-CD 3.12Å; P273-V275 VanDerWaalsContact C-N 3.34Å; P273-Q276 WeakPolarHBondContact O-CB 3.18Å; P273-Q276 PolarHBondContact O-N 2.91Å; P273-R277 WeakPolarHBondContact O-CG 3.39Å; P273-R277 PolarHBondContact O-N 3.47Å
274	E	64.8	Low	65.6	Low	142 Å²	142	84.5 Å²	84.5	66%	0.664	47%	0.47	S	S	*	.	H	α-helix	trans	-62.9	-40.8	173.9	-63.1	178.6	178.5	0	0	111.1	Y272 Q276 R277 D278	Y272-E274 PolarHBondContact O-N 3.18Å; E274-Q276 VanDerWaalsContact C-N 3.26Å; E274-Q276 PolarHBondContact O-N 2.93Å; E274-R277 PolarHBondContact O-N 2.91Å; E274-D278 VanDerWaalsContact O-CB 3.27Å; E274-D278 WeakPolarHBondContact O-CB 3.39Å; E274-D278 PolarHBondContact O-N 3.21Å
275	V	62.4	Low	64.6	Low	33 Å²	33	84.8 Å²	84.8	20%	0.2	47%	0.472	C	S	.	.	H	α-helix	trans	-63.7	-35.3	174.1	-177.6	0	0	0	0	110.8	L265 Y272 P273 S279	L265-V275 HydrophobicContact CD1-CG1 4.34Å; Y272-V275 WeakPolarHBondContact O-CB 3.48Å; Y272-V275 PolarHBondContact O-N 3.09Å; P273-V275 VanDerWaalsContact C-N 3.34Å; V275-S279 WeakPolarHBondContact O-CB 3.07Å; V275-S279 PolarHBondContact O-N 3.27Å; V275-S279 VanDerWaalsContact O-N 3.08Å; V275-S279 PolarHBondContact O-OG 3.43Å
276	Q	55.4	Low	64	Low	92 Å²	92	82.1 Å²	82.1	43%	0.43	46%	0.459	S	S	.	.	H	α-helix	trans	-72.9	-41.5	178.3	-139.7	175.6	27.6	0	0	112.4	P273 E274 Q280	P273-Q276 WeakPolarHBondContact O-CB 3.18Å; P273-Q276 PolarHBondContact O-N 2.91Å; E274-Q276 VanDerWaalsContact C-N 3.26Å; E274-Q276 PolarHBondContact O-N 2.93Å; Q276-Q280 WeakPolarHBondContact O-CG 3.44Å; Q276-Q280 PolarHBondContact O-N 2.9Å
277	R	52.4	Low	63.6	Low	169 Å²	169	80.3 Å²	80.3	64%	0.638	44%	0.444	S	S	*	.	H	α-helix	trans	-67.8	-40.5	174.9	-72.5	-176.5	-146.4	168.6	7.8	112.2	P273 E274 S279 Q280 T281	P273-R277 WeakPolarHBondContact O-CG 3.39Å; P273-R277 PolarHBondContact O-N 3.47Å; E274-R277 PolarHBondContact O-N 2.91Å; R277-S279 VanDerWaalsContact C-N 3.32Å; R277-Q280 PolarHBondContact O-N 3.18Å; R277-T281 WeakPolarHBondContact O-CG2 3.29Å; R277-T281 PolarHBondContact O-N 2.86Å; R277-T281 PolarHBondContact O-OG1 3.26Å; R277-T281 VanDerWaalsContact O-OG1 3.1Å
278	D	53.2	Low	63.1	Low	61 Å²	61	83.5 Å²	83.5	33%	0.326	45%	0.451	S	S	.	.	H	α-helix	trans	-69.5	-32.5	178.8	-79.2	-6.5	0	0	0	111.8	E274 Q280 T281 G282 M283 A284	E274-D278 VanDerWaalsContact O-CB 3.27Å; E274-D278 WeakPolarHBondContact O-CB 3.39Å; E274-D278 PolarHBondContact O-N 3.21Å; D278-Q280 VanDerWaalsContact C-N 3.33Å; D278-Q280 PolarHBondContact O-N 2.51Å; D278-T281 WeakPolarHBondContact CA-OG1 3.39Å; D278-T281 PolarHBondContact O-OG1 3.04Å; D278-G282 PolarHBondContact O-N 3.21Å; D278-M283 WeakPolarHBondContact CB-O 3.48Å; D278-M283 CarbonylContact O-C 3.37Å; D278-M283 PolarHBondContact O-N 2.86Å; D278-A284 PolarHBondContact O-N 2.97Å
279	S	52.3	Low	62.9	Low	66 Å²	66	82.8 Å²	82.8	46%	0.462	45%	0.446	S	S	.	.	H	α-helix	trans	-66.7	-32.4	171.8	-59.4	0	0	0	0	112.6	V275 R277	V275-S279 WeakPolarHBondContact O-CB 3.07Å; V275-S279 PolarHBondContact O-N 3.27Å; V275-S279 VanDerWaalsContact O-N 3.08Å; V275-S279 PolarHBondContact O-OG 3.43Å; R277-S279 VanDerWaalsContact C-N 3.32Å
280	Q	46.8	Very low	62.7	Low	163 Å²	163	86.7 Å²	86.7	76%	0.762	47%	0.471	S	S	*	.	H	α-helix	trans	-82.1	-27.2	178.5	-71.8	177.1	4.7	0	0	113.7	Q276 R277 D278	Q276-Q280 WeakPolarHBondContact O-CG 3.44Å; Q276-Q280 PolarHBondContact O-N 2.9Å; R277-Q280 PolarHBondContact O-N 3.18Å; D278-Q280 VanDerWaalsContact C-N 3.33Å; D278-Q280 PolarHBondContact O-N 2.51Å
281	T	47.8	Very low	62.7	Low	98 Å²	98	89.2 Å²	89.2	60%	0.601	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-2	176.2	56.7	0	0	0	0	113.3	R277 D278 M283	R277-T281 WeakPolarHBondContact O-CG2 3.29Å; R277-T281 PolarHBondContact O-N 2.86Å; R277-T281 PolarHBondContact O-OG1 3.26Å; R277-T281 VanDerWaalsContact O-OG1 3.1Å; D278-T281 WeakPolarHBondContact CA-OG1 3.39Å; D278-T281 PolarHBondContact O-OG1 3.04Å; T281-M283 PolarHBondContact O-N 3.19Å
282	G	46.3	Very low	62.9	Low	70 Å²	70	87 Å²	87	72%	0.722	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	8.6	-173.9	0	0	0	0	0	113.8	D278	D278-G282 PolarHBondContact O-N 3.21Å
283	M	44.8	Very low	63.8	Low	105 Å²	105	82 Å²	82	52%	0.517	43%	0.433	S	S	.	.			trans	-111	36.8	-176.8	-72.7	-91.2	-87.9	0	0	111	D278 T281 N285	D278-M283 WeakPolarHBondContact CB-O 3.48Å; D278-M283 CarbonylContact O-C 3.37Å; D278-M283 PolarHBondContact O-N 2.86Å; T281-M283 PolarHBondContact O-N 3.19Å; M283-N285 PolarHBondContact O-N 2.87Å
284	A	52.8	Low	65	Low	44 Å²	44	80.4 Å²	80.4	36%	0.364	42%	0.423	S	S	.	.			trans	-50.7	118.2	160	0	0	0	0	0	106.2	D278 P286	D278-A284 PolarHBondContact O-N 2.97Å; A284-P286 HydrophobicContact CB-CG 4.33Å; A284-P286 WeakPolarHBondContact O-CD 3.27Å
285	N	64.2	Low	66.4	Low	39 Å²	39	73.8 Å²	73.8	21%	0.209	39%	0.393	C	S	.	.			trans	-101.6	56	174.7	-109.3	-48.3	0	0	0	111.5	F171 M283 Y287 K288	F171-N285 WeakPolarHBondContact CE1-OD1 3.39Å; F171-N285 VanDerWaalsContact CZ-OD1 3.29Å; F171-N285 WeakPolarHBondContact CZ-OD1 2.92Å; M283-N285 PolarHBondContact O-N 2.87Å; N285-Y287 PolarHBondContact O-N 2.68Å; N285-K288 HydrophobicContact CB-CB 4.4Å; N285-K288 PolarHBondContact O-N 2.79Å
286	P	71.5	Confident	67.9	Low	17 Å²	17	72.4 Å²	72.4	11%	0.11	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-50.5	-27.4	176	-28.3	32.8	0	0	0	114	R175 N176 S177 A284 K288 E289	R175-P286 WeakPolarHBondContact O-CB 3.39Å; N176-P286 HydrophobicContact CB-CB 4.43Å; S177-P286 PolarHBondContact N-O 2.84Å; S177-P286 VanDerWaalsContact N-O 3.11Å; A284-P286 HydrophobicContact CB-CG 4.33Å; A284-P286 WeakPolarHBondContact O-CD 3.27Å; P286-K288 VanDerWaalsContact C-N 3.31Å; P286-K288 PolarHBondContact O-N 3.48Å; P286-E289 WeakPolarHBondContact O-CG 3.38Å; P286-E289 PolarHBondContact O-N 3.15Å
287	Y	75.4	Confident	69.8	Low	85 Å²	85	72.8 Å²	72.8	33%	0.333	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-62.8	-35.6	176.7	-179.3	-108.2	0	0	0	113.3	F170 Y174 N176 S177 N285 E289	F170-Y287 AromaticContact CE1-CD1 3.84Å; F170-Y287 HydrophobicContact CE1-CD1 3.84Å; F170-Y287 HydrophobicContact CE1-CE1 4.07Å; F170-Y287 HydrophobicContact CE1-CG 4.33Å; F170-Y287 HydrophobicContact CZ-CD1 4.01Å; F170-Y287 AromaticContact CZ-CE1 3.75Å; F170-Y287 HydrophobicContact CZ-CE1 3.75Å; Y174-Y287 HydrophobicContact CD1-CD2 4.14Å; Y174-Y287 AromaticContact CD1-CE2 3.69Å; Y174-Y287 HydrophobicContact CD1-CE2 3.69Å; Y174-Y287 HydrophobicContact CE1-CE2 4.46Å; Y174-Y287 HydrophobicContact CG-CD2 4.13Å; Y174-Y287 AromaticContact CG-CE2 4Å; Y174-Y287 HydrophobicContact CG-CE2 4Å; N176-Y287 WeakPolarHBondContact O-CD2 3.17Å; S177-Y287 WeakPolarHBondContact CA-O 3.38Å; N285-Y287 PolarHBondContact O-N 2.68Å; Y287-E289 VanDerWaalsContact C-N 3.32Å
288	K	73.6	Confident	71.8	Confident	145 Å²	145	68 Å²	68	63%	0.63	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-91.1	7.8	-177.1	-65.2	-175.6	178.6	176.9	0	113.3	N285 P286	N285-K288 HydrophobicContact CB-CB 4.4Å; N285-K288 PolarHBondContact O-N 2.79Å; P286-K288 VanDerWaalsContact C-N 3.31Å; P286-K288 PolarHBondContact O-N 3.48Å
289	E	76.6	Confident	73.8	Confident	44 Å²	44	65.3 Å²	65.3	21%	0.206	35%	0.353	C	S	.	.			trans	-61.4	125.7	179.3	-72.2	-174.3	145	0	0	110.6	R258 P286 Y287 F291	R258-E289 IonicContact CZ-OE1 3.44Å; R258-E289 IonicContact CZ-OE2 3.51Å; R258-E289 IonicContact NE-OE1 3.73Å; R258-E289 PolarHBondContact NE-OE1 3.22Å; R258-E289 IonicContact NE-OE2 3.69Å; R258-E289 PolarHBondContact NE-OE2 2.98Å; R258-E289 VanDerWaalsContact NH2-CD 3.34Å; R258-E289 IonicContact NH2-OE1 3.81Å; R258-E289 PolarHBondContact NH2-OE1 2.79Å; R258-E289 IonicContact NH2-OE2 2.97Å; R258-E289 PolarHBondContact NH2-OE2 2.98Å; P286-E289 WeakPolarHBondContact O-CG 3.38Å; P286-E289 PolarHBondContact O-N 3.15Å; Y287-E289 VanDerWaalsContact C-N 3.32Å; E289-F291 PolarHBondContact O-N 3.15Å
290	P	75.7	Confident	75.9	Confident	99 Å²	99	62.6 Å²	62.6	64%	0.643	33%	0.333	S	S	*	.			trans	-74.1	-17.4	179	30.7	-34.7	0	0	0	111.9
291	F	81.6	Confident	78.2	Confident	131 Å²	131	56.7 Å²	56.7	58%	0.575	31%	0.308	S	S	*	.	S	Bend	trans	-81.4	149.6	-175.8	-51.8	-66.7	0	0	0	111.7	E289	E289-F291 PolarHBondContact O-N 3.15Å
292	I	86.6	Confident	80.5	Confident	48 Å²	48	55 Å²	55	25%	0.246	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-75.3	136.2	171.9	-60.1	173.4	0	0	0	107.9	K296 H297 L300 F323 R327	I292-K296 HydrophobicContact CG2-CB 3.78Å; I292-K296 HydrophobicContact CG2-CD 4.12Å; I292-K296 HydrophobicContact CG2-CG 3.83Å; I292-H297 HydrophobicContact CG2-CB 4.18Å; I292-L300 HydrophobicContact CD1-CD1 3.79Å; I292-L300 HydrophobicContact CG2-CD1 4.3Å; I292-F323 HydrophobicContact CD1-CZ 4.44Å; I292-R327 HydrophobicContact CD1-CG 4.39Å
293	N	89.9	Confident	82.7	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-57.1	151.1	177.8	-73.3	-3.3	0	0	0	111.8	S177 E178 L295 K296 H297	S177-N293 PolarHBondContact OG-OD1 3.17Å; E178-N293 HydrophobicContact CG-CB 4.28Å; E178-N293 VanDerWaalsContact CG-ND2 3.29Å; E178-N293 WeakPolarHBondContact CG-ND2 3.44Å; E178-N293 WeakPolarHBondContact OE1-CB 3.18Å; N293-L295 PolarHBondContact O-N 2.92Å; N293-K296 PolarHBondContact O-N 2.87Å; N293-K296 VanDerWaalsContact O-N 3.16Å; N293-H297 WeakPolarHBondContact O-CB 3.27Å; N293-H297 PolarHBondContact O-N 3.03Å
294	S	91.4	Very high	85.1	Confident	33 Å²	33	51.2 Å²	51.2	23%	0.231	25%	0.251	C	S	.	.	H	α-helix	trans	-58.1	-43.8	-172	-58.1	0	0	0	0	113	R258 H297 R298	R258-S294 VanDerWaalsContact O-CB 3.31Å; R258-S294 WeakPolarHBondContact O-CB 3.4Å; R258-S294 PolarHBondContact O-N 3.44Å; R258-S294 PolarHBondContact O-OG 2.92Å; S294-H297 PolarHBondContact O-N 2.92Å; S294-R298 VanDerWaalsContact O-CG 3.26Å; S294-R298 WeakPolarHBondContact O-CG 3.46Å; S294-R298 PolarHBondContact O-N 3.02Å
295	L	94.2	Very high	87	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-46.2	179.1	-178	65.5	0	0	0	111.5	I256 G257 N293 R298 L299 M331 I344 Y346 Y368	I256-L295 HydrophobicContact CG2-CD1 4.2Å; I256-L295 HydrophobicContact CG2-CD2 4.14Å; G257-L295 WeakPolarHBondContact O-CB 3.35Å; G257-L295 PolarHBondContact O-N 2.86Å; N293-L295 PolarHBondContact O-N 2.92Å; L295-R298 PolarHBondContact O-N 3.07Å; L295-L299 PolarHBondContact O-N 3.34Å; L295-L299 VanDerWaalsContact O-N 3.08Å; L295-M331 HydrophobicContact CD2-CE 4.45Å; L295-M331 HydrophobicContact CD2-SD 3.83Å; L295-I344 HydrophobicContact CD2-CD1 4.4Å; L295-Y346 WeakPolarHBondContact CD2-OH 3.18Å; L295-Y368 HydrophobicContact CD1-CD1 4.33Å; L295-Y368 HydrophobicContact CD1-CD2 3.67Å; L295-Y368 HydrophobicContact CD1-CE1 4.27Å; L295-Y368 HydrophobicContact CD1-CE2 3.59Å; L295-Y368 HydrophobicContact CD1-CG 4.03Å
296	K	94.3	Very high	88.3	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.017	27%	0.273	C	S	.	.	H	α-helix	trans	-67.8	-39	179	-173.8	169.5	-65.1	165.8	0	111.9	E178 I292 N293 R298 L299 L300 R327 L329	E178-K296 WeakPolarHBondContact OE1-CB 3.44Å; E178-K296 WeakPolarHBondContact OE1-CD 3.4Å; E178-K296 WeakPolarHBondContact OE1-CE 3.46Å; E178-K296 IonicContact OE1-NZ 3.64Å; E178-K296 PolarHBondContact OE1-NZ 3.29Å; E178-K296 VanDerWaalsContact OE1-NZ 3.12Å; E178-K296 WeakPolarHBondContact OE2-CE 3.38Å; E178-K296 IonicContact OE2-NZ 3.46Å; E178-K296 PolarHBondContact OE2-NZ 3.46Å; I292-K296 HydrophobicContact CG2-CB 3.78Å; I292-K296 HydrophobicContact CG2-CD 4.12Å; I292-K296 HydrophobicContact CG2-CG 3.83Å; N293-K296 PolarHBondContact O-N 2.87Å; N293-K296 VanDerWaalsContact O-N 3.16Å; K296-R298 VanDerWaalsContact C-N 3.34Å; K296-R298 PolarHBondContact O-N 3.28Å; K296-L299 WeakPolarHBondContact O-CB 3.42Å; K296-L299 PolarHBondContact O-N 3.45Å; K296-L300 HydrophobicContact CG-CD1 4.36Å; K296-L300 HydrophobicContact CG-CG 4.49Å; K296-L300 WeakPolarHBondContact O-CG 3.5Å; K296-L300 PolarHBondContact O-N 3.14Å; K296-R327 VanDerWaalsContact CD-O 3.25Å; K296-R327 WeakPolarHBondContact CD-O 3.2Å; K296-R327 PolarHBondContact NZ-O 2.8Å; K296-L329 VanDerWaalsContact CE-O 3.24Å; K296-L329 WeakPolarHBondContact CE-O 3.28Å; K296-L329 PolarHBondContact NZ-O 3.36Å
297	H	94.2	Very high	89.2	Confident	100 Å²	100	60.1 Å²	60.1	46%	0.463	27%	0.273	S	S	.	.	H	α-helix	trans	-59.3	-46	174.5	178.5	-103.1	0	0	0	110.9	I292 N293 S294 L299 L300 V301	I292-H297 HydrophobicContact CG2-CB 4.18Å; N293-H297 WeakPolarHBondContact O-CB 3.27Å; N293-H297 PolarHBondContact O-N 3.03Å; S294-H297 PolarHBondContact O-N 2.92Å; H297-L299 VanDerWaalsContact C-N 3.31Å; H297-L299 PolarHBondContact O-N 3.31Å; H297-L300 PolarHBondContact O-N 2.55Å; H297-L300 VanDerWaalsContact O-N 3.17Å; H297-V301 WeakPolarHBondContact O-CB 3.16Å; H297-V301 VanDerWaalsContact O-CG2 3.29Å; H297-V301 WeakPolarHBondContact O-CG2 3.46Å; H297-V301 PolarHBondContact O-N 2.71Å
298	R	95	Very high	90	Very high	69 Å²	69	60.6 Å²	60.6	26%	0.26	28%	0.278	S	S	.	.	H	α-helix	trans	-60.3	-39.3	176	-71.6	167.8	178.1	-85.5	2.1	112.6	Y261 S294 L295 K296 Y302 T373 V375	Y261-R298 VanDerWaalsContact CE2-NH2 3.29Å; S294-R298 VanDerWaalsContact O-CG 3.26Å; S294-R298 WeakPolarHBondContact O-CG 3.46Å; S294-R298 PolarHBondContact O-N 3.02Å; L295-R298 PolarHBondContact O-N 3.07Å; K296-R298 VanDerWaalsContact C-N 3.34Å; K296-R298 PolarHBondContact O-N 3.28Å; R298-Y302 WeakPolarHBondContact O-CB 3.36Å; R298-Y302 PolarHBondContact O-N 3.49Å; R298-T373 WeakPolarHBondContact CD-O 3.22Å; R298-T373 VanDerWaalsContact CZ-O 3.23Å; R298-T373 PolarHBondContact NE-O 3.02Å; R298-T373 PolarHBondContact NH1-O 2.95Å; R298-T373 PolarHBondContact NH1-OG1 3.33Å; R298-T373 VanDerWaalsContact NH1-OG1 3.09Å; R298-T373 PolarHBondContact NH2-OG1 3.33Å; R298-V375 HydrophobicContact CB-CG2 4.09Å
299	L	95.4	Very high	90.9	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-60.6	-49.3	172.4	172.4	61.2	0	0	0	111.9	L295 K296 H297 V301 Y302 L303 Y346 V366 V378	L295-L299 PolarHBondContact O-N 3.34Å; L295-L299 VanDerWaalsContact O-N 3.08Å; K296-L299 WeakPolarHBondContact O-CB 3.42Å; K296-L299 PolarHBondContact O-N 3.45Å; H297-L299 VanDerWaalsContact C-N 3.31Å; H297-L299 PolarHBondContact O-N 3.31Å; L299-V301 PolarHBondContact O-N 2.89Å; L299-Y302 WeakPolarHBondContact O-CB 3.35Å; L299-Y302 PolarHBondContact O-N 3.42Å; L299-L303 HydrophobicContact CD1-CD1 4.28Å; L299-L303 HydrophobicContact CD1-CG 4.41Å; L299-L303 HydrophobicContact CG-CD1 4.44Å; L299-L303 WeakPolarHBondContact O-CG 3.37Å; L299-L303 PolarHBondContact O-N 3.39Å; L299-Y346 HydrophobicContact CD2-CD1 4.41Å; L299-Y346 HydrophobicContact CD2-CD2 4.27Å; L299-Y346 HydrophobicContact CD2-CE1 4.38Å; L299-Y346 HydrophobicContact CD2-CE2 4.23Å; L299-Y346 HydrophobicContact CD2-CG 4.34Å; L299-V366 HydrophobicContact CD1-CG1 4.27Å; L299-V366 HydrophobicContact CD1-CG2 3.64Å; L299-V366 HydrophobicContact CD2-CG2 4.29Å; L299-V378 HydrophobicContact CD1-CG1 4.14Å; L299-V378 HydrophobicContact CD1-CG2 3.54Å
300	L	95.2	Very high	91.4	Very high	9 Å²	9	64.6 Å²	64.6	5%	0.047	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-41.3	179.6	-67.3	173.6	0	0	0	111.9	I292 K296 H297 Y302 L303 W304 F323 L326	I292-L300 HydrophobicContact CD1-CD1 3.79Å; I292-L300 HydrophobicContact CG2-CD1 4.3Å; K296-L300 HydrophobicContact CG-CD1 4.36Å; K296-L300 HydrophobicContact CG-CG 4.49Å; K296-L300 WeakPolarHBondContact O-CG 3.5Å; K296-L300 PolarHBondContact O-N 3.14Å; H297-L300 PolarHBondContact O-N 2.55Å; H297-L300 VanDerWaalsContact O-N 3.17Å; L300-Y302 VanDerWaalsContact C-N 3.34Å; L300-L303 PolarHBondContact O-N 2.92Å; L300-W304 WeakPolarHBondContact O-CB 3.38Å; L300-W304 PolarHBondContact O-N 3.01Å; L300-F323 HydrophobicContact CD1-CE2 4.2Å; L300-F323 HydrophobicContact CD1-CZ 4.47Å; L300-L326 HydrophobicContact CD2-CB 3.72Å
301	V	95.3	Very high	91.6	Very high	40 Å²	40	62.8 Å²	62.8	24%	0.242	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-41.1	175.9	170.5	0	0	0	0	111.1	H297 L299 W304 R305	H297-V301 WeakPolarHBondContact O-CB 3.16Å; H297-V301 VanDerWaalsContact O-CG2 3.29Å; H297-V301 WeakPolarHBondContact O-CG2 3.46Å; H297-V301 PolarHBondContact O-N 2.71Å; L299-V301 PolarHBondContact O-N 2.89Å; V301-W304 PolarHBondContact O-N 2.95Å; V301-R305 HydrophobicContact CG1-CG 4.33Å; V301-R305 WeakPolarHBondContact O-CB 3.44Å; V301-R305 WeakPolarHBondContact O-CG 3.47Å; V301-R305 PolarHBondContact O-N 3.26Å
302	Y	95.6	Very high	91.8	Very high	62 Å²	62	58.5 Å²	58.5	24%	0.243	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-48.3	175.1	179.9	-85.5	0	0	0	111.4	R298 L299 L300 W304 R305 R306 V375 I376 A377 V378	R298-Y302 WeakPolarHBondContact O-CB 3.36Å; R298-Y302 PolarHBondContact O-N 3.49Å; L299-Y302 WeakPolarHBondContact O-CB 3.35Å; L299-Y302 PolarHBondContact O-N 3.42Å; L300-Y302 VanDerWaalsContact C-N 3.34Å; Y302-W304 VanDerWaalsContact C-N 3.33Å; Y302-W304 PolarHBondContact O-N 2.6Å; Y302-R305 PolarHBondContact O-N 3.46Å; Y302-R306 WeakPolarHBondContact O-CB 3.25Å; Y302-R306 PolarHBondContact O-N 3.49Å; Y302-V375 HydrophobicContact CD1-CG1 4.22Å; Y302-V375 HydrophobicContact CD2-CB 4.19Å; Y302-V375 HydrophobicContact CD2-CG1 3.91Å; Y302-V375 WeakPolarHBondContact CD2-O 3.34Å; Y302-V375 HydrophobicContact CE2-CG1 4.48Å; Y302-V375 WeakPolarHBondContact CE2-O 3.37Å; Y302-V375 HydrophobicContact CG-CB 4.25Å; Y302-V375 HydrophobicContact CG-CG1 3.76Å; Y302-I376 WeakPolarHBondContact CE2-O 3.45Å; Y302-I376 PolarHBondContact OH-O 3.25Å; Y302-A377 WeakPolarHBondContact OH-CA 3.49Å; Y302-V378 HydrophobicContact CD1-CB 4Å; Y302-V378 HydrophobicContact CD1-CG2 3.37Å; Y302-V378 HydrophobicContact CE1-CB 3.82Å; Y302-V378 HydrophobicContact CE1-CG2 3.6Å; Y302-V378 HydrophobicContact CG-CG2 4.19Å
303	L	94	Very high	91.9	Very high	25 Å²	25	59.1 Å²	59.1	13%	0.131	30%	0.301	C	S	.	.	H	α-helix	trans	-62.5	-39.8	178.4	-69.8	174.9	0	0	0	112.2	L299 L300 R306 A307 F319 L326 V378	L299-L303 HydrophobicContact CD1-CD1 4.28Å; L299-L303 HydrophobicContact CD1-CG 4.41Å; L299-L303 HydrophobicContact CG-CD1 4.44Å; L299-L303 WeakPolarHBondContact O-CG 3.37Å; L299-L303 PolarHBondContact O-N 3.39Å; L300-L303 PolarHBondContact O-N 2.92Å; L303-R306 PolarHBondContact O-N 3.4Å; L303-A307 PolarHBondContact O-N 2.66Å; L303-F319 HydrophobicContact CB-CD2 4.15Å; L303-F319 HydrophobicContact CB-CE2 3.94Å; L303-L326 HydrophobicContact CD1-CD1 3.99Å; L303-L326 HydrophobicContact CD1-CD2 3.99Å; L303-V378 HydrophobicContact CD2-CB 4.13Å; L303-V378 HydrophobicContact CD2-CG1 3.9Å; L303-V378 HydrophobicContact CD2-CG2 4.5Å
304	W	94.1	Very high	91.9	Very high	71 Å²	71	64.9 Å²	64.9	27%	0.269	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-50.8	173.4	169.2	-102.1	0	0	0	112	L300 V301 Y302 R306 A307 E308 K316 F319 F320	L300-W304 WeakPolarHBondContact O-CB 3.38Å; L300-W304 PolarHBondContact O-N 3.01Å; V301-W304 PolarHBondContact O-N 2.95Å; Y302-W304 VanDerWaalsContact C-N 3.33Å; Y302-W304 PolarHBondContact O-N 2.6Å; W304-R306 VanDerWaalsContact C-N 3.25Å; W304-R306 PolarHBondContact O-N 3.02Å; W304-A307 CarbonylContact O-C 3.5Å; W304-A307 WeakPolarHBondContact O-CB 3.46Å; W304-A307 PolarHBondContact O-N 2.87Å; W304-E308 PolarHBondContact NE1-OE2 3.09Å; W304-E308 WeakPolarHBondContact O-CB 3.13Å; W304-E308 PolarHBondContact O-N 3.32Å; W304-K316 HydrophobicContact CH2-CD 4.1Å; W304-K316 HydrophobicContact CH2-CG 4.26Å; W304-K316 HydrophobicContact CZ3-CB 4.28Å; W304-K316 HydrophobicContact CZ3-CG 4.18Å; W304-F319 HydrophobicContact CB-CE1 4.26Å; W304-F319 HydrophobicContact CB-CE2 4.22Å; W304-F319 HydrophobicContact CB-CZ 3.97Å; W304-F319 AromaticContact CE3-CD1 3.67Å; W304-F319 HydrophobicContact CE3-CD1 3.67Å; W304-F319 AromaticContact CE3-CE1 3.92Å; W304-F319 HydrophobicContact CE3-CE1 3.92Å; W304-F319 HydrophobicContact CE3-CG 4.28Å; W304-F319 HydrophobicContact CZ3-CD1 4.27Å; W304-F320 HydrophobicContact CE3-CE2 4.4Å; W304-F320 HydrophobicContact CE3-CZ 4.27Å; W304-F320 AromaticContact CH2-CE2 3.93Å; W304-F320 HydrophobicContact CH2-CE2 3.93Å; W304-F320 HydrophobicContact CH2-CZ 4.04Å; W304-F320 HydrophobicContact CZ3-CD2 4.37Å; W304-F320 AromaticContact CZ3-CE2 3.44Å; W304-F320 HydrophobicContact CZ3-CE2 3.44Å; W304-F320 VanDerWaalsContact CZ3-CE2 3.44Å; W304-F320 AromaticContact CZ3-CZ 3.59Å; W304-F320 HydrophobicContact CZ3-CZ 3.59Å
305	R	93.7	Very high	91.7	Very high	154 Å²	154	64.3 Å²	64.3	58%	0.581	33%	0.327	S	S	*	.	H	α-helix	trans	-59	-39	179.3	-76.1	178.4	177.7	176.4	0.2	111.5	V301 Y302 E308 Q309	V301-R305 HydrophobicContact CG1-CG 4.33Å; V301-R305 WeakPolarHBondContact O-CB 3.44Å; V301-R305 WeakPolarHBondContact O-CG 3.47Å; V301-R305 PolarHBondContact O-N 3.26Å; Y302-R305 PolarHBondContact O-N 3.46Å; R305-E308 PolarHBondContact O-N 2.56Å; R305-Q309 WeakPolarHBondContact O-CB 3.3Å; R305-Q309 VanDerWaalsContact O-CG 3.25Å; R305-Q309 WeakPolarHBondContact O-CG 3.46Å; R305-Q309 PolarHBondContact O-N 3.45Å
306	R	91.4	Very high	91.5	Very high	121 Å²	121	67.2 Å²	67.2	46%	0.457	34%	0.34	S	S	.	.	H	α-helix	trans	-62.4	-45.2	173.9	-174.8	177.6	178.6	163.7	4.3	111.9	Y302 L303 W304 E308 Q309 D310 V378	Y302-R306 WeakPolarHBondContact O-CB 3.25Å; Y302-R306 PolarHBondContact O-N 3.49Å; L303-R306 PolarHBondContact O-N 3.4Å; W304-R306 VanDerWaalsContact C-N 3.25Å; W304-R306 PolarHBondContact O-N 3.02Å; R306-E308 VanDerWaalsContact C-N 3.26Å; R306-E308 PolarHBondContact O-N 3.33Å; R306-Q309 PolarHBondContact O-N 3.08Å; R306-D310 PolarHBondContact O-N 3.43Å; R306-D310 VanDerWaalsContact O-N 3.09Å; R306-V378 PolarHBondContact NH1-O 3.42Å
307	A	90.8	Very high	91.4	Very high	11 Å²	11	75.9 Å²	75.9	9%	0.091	37%	0.372	C	S	.	.	H	α-helix	trans	-65.8	-29.6	175.7	0	0	0	0	0	112.8	L303 W304 A315	L303-A307 PolarHBondContact O-N 2.66Å; W304-A307 CarbonylContact O-C 3.5Å; W304-A307 WeakPolarHBondContact O-CB 3.46Å; W304-A307 PolarHBondContact O-N 2.87Å; A307-A315 HydrophobicContact CB-CB 4.12Å
308	E	92.1	Very high	91.2	Very high	96 Å²	96	77.4 Å²	77.4	45%	0.449	37%	0.374	S	S	.	.	H	α-helix	trans	-73.6	-42.1	174.9	-178.1	161.6	-133.3	0	0	112.7	W304 R305 R306 D310 G311	W304-E308 PolarHBondContact NE1-OE2 3.09Å; W304-E308 WeakPolarHBondContact O-CB 3.13Å; W304-E308 PolarHBondContact O-N 3.32Å; R305-E308 PolarHBondContact O-N 2.56Å; R306-E308 VanDerWaalsContact C-N 3.26Å; R306-E308 PolarHBondContact O-N 3.33Å; E308-D310 VanDerWaalsContact C-N 3.35Å; E308-G311 PolarHBondContact O-N 2.93Å; E308-G311 VanDerWaalsContact O-N 3.08Å
309	Q	91.3	Very high	91	Very high	163 Å²	163	75.1 Å²	75.1	76%	0.762	37%	0.366	S	S	*	.	H	α-helix	trans	-65.1	-34.9	176.1	-74.3	170.4	-1.8	0	0	113	R305 R306 G311	R305-Q309 WeakPolarHBondContact O-CB 3.3Å; R305-Q309 VanDerWaalsContact O-CG 3.25Å; R305-Q309 WeakPolarHBondContact O-CG 3.46Å; R305-Q309 PolarHBondContact O-N 3.45Å; R306-Q309 PolarHBondContact O-N 3.08Å; Q309-G311 PolarHBondContact O-N 3.25Å
310	D	87.3	Confident	90.9	Very high	109 Å²	109	81.1 Å²	81.1	58%	0.583	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.3	173.2	-170.7	46.9	0	0	0	112.1	R306 E308 S312 A315	R306-D310 PolarHBondContact O-N 3.43Å; R306-D310 VanDerWaalsContact O-N 3.09Å; E308-D310 VanDerWaalsContact C-N 3.35Å; D310-S312 PolarHBondContact O-N 2.92Å; D310-S312 WeakPolarHBondContact OD2-CB 3.28Å; D310-A315 HydrophobicContact CB-CB 4.36Å; D310-A315 WeakPolarHBondContact OD2-CB 3.17Å
311	G	79.5	Confident	90.8	Very high	61 Å²	61	87.1 Å²	87.1	63%	0.629	42%	0.42	S	S	*	.			trans	68.3	-11	176	0	0	0	0	0	115	E308 Q309	E308-G311 PolarHBondContact O-N 2.93Å; E308-G311 VanDerWaalsContact O-N 3.08Å; Q309-G311 PolarHBondContact O-N 3.25Å
312	S	87.6	Confident	90.6	Very high	42 Å²	42	89.3 Å²	89.3	29%	0.294	43%	0.425	S	S	.	.			trans	-75.6	127.7	-178.9	-178.4	0	0	0	0	112.2	D310 I314 A315 K316	D310-S312 PolarHBondContact O-N 2.92Å; D310-S312 WeakPolarHBondContact OD2-CB 3.28Å; S312-I314 PolarHBondContact O-N 2.98Å; S312-I314 VanDerWaalsContact O-N 3.15Å; S312-I314 PolarHBondContact OG-N 3.37Å; S312-A315 PolarHBondContact O-N 2.85Å; S312-A315 VanDerWaalsContact O-N 3.15Å; S312-K316 PolarHBondContact O-N 3.38Å
313	A	88.5	Confident	90.5	Very high	61 Å²	61	89.2 Å²	89.2	50%	0.504	43%	0.425	S	S	.	.	H	α-helix	trans	-59.2	-26.1	172	0	0	0	0	0	112.4	R317	A313-R317 WeakPolarHBondContact O-CB 3.19Å; A313-R317 VanDerWaalsContact O-CG 3.24Å; A313-R317 WeakPolarHBondContact O-CG 3.43Å; A313-R317 PolarHBondContact O-N 3.25Å; A313-R317 VanDerWaalsContact O-N 3.09Å
314	I	89.8	Confident	90.3	Very high	125 Å²	125	92.9 Å²	92.9	64%	0.641	45%	0.445	S	S	*	.	H	α-helix	trans	-69.8	-43	178.1	-60.9	168.6	0	0	0	110.4	S312 K316 R317 R318	S312-I314 PolarHBondContact O-N 2.98Å; S312-I314 VanDerWaalsContact O-N 3.15Å; S312-I314 PolarHBondContact OG-N 3.37Å; I314-K316 PolarHBondContact O-N 3.35Å; I314-R317 PolarHBondContact O-N 3.4Å; I314-R318 WeakPolarHBondContact O-CB 3.47Å; I314-R318 PolarHBondContact O-N 2.81Å
315	A	87.1	Confident	90.2	Very high	21 Å²	21	94.9 Å²	94.9	17%	0.174	46%	0.457	C	S	.	.	H	α-helix	trans	-62.2	-44.6	179.2	0	0	0	0	0	111.6	A307 D310 S312 R318 F319	A307-A315 HydrophobicContact CB-CB 4.12Å; D310-A315 HydrophobicContact CB-CB 4.36Å; D310-A315 WeakPolarHBondContact OD2-CB 3.17Å; S312-A315 PolarHBondContact O-N 2.85Å; S312-A315 VanDerWaalsContact O-N 3.15Å; A315-R318 PolarHBondContact O-N 3.48Å; A315-F319 PolarHBondContact O-N 3.27Å
316	K	89.8	Confident	90.1	Very high	65 Å²	65	88.3 Å²	88.3	28%	0.283	43%	0.434	S	S	.	.	H	α-helix	trans	-61.9	-45.4	175.3	-65	-175.4	178.7	-173.2	0	112	W304 S312 I314 R318 F319 F320	W304-K316 HydrophobicContact CH2-CD 4.1Å; W304-K316 HydrophobicContact CH2-CG 4.26Å; W304-K316 HydrophobicContact CZ3-CB 4.28Å; W304-K316 HydrophobicContact CZ3-CG 4.18Å; S312-K316 PolarHBondContact O-N 3.38Å; I314-K316 PolarHBondContact O-N 3.35Å; K316-R318 VanDerWaalsContact C-N 3.33Å; K316-R318 PolarHBondContact O-N 3.2Å; K316-F319 PolarHBondContact O-N 2.96Å; K316-F320 WeakPolarHBondContact O-CD2 3.01Å; K316-F320 PolarHBondContact O-N 3.01Å
317	R	92	Very high	90.1	Very high	185 Å²	185	88 Å²	88	70%	0.698	43%	0.432	S	S	*	.	H	α-helix	trans	-61.9	-40.8	176.2	-74.9	174	-175	178.9	2.6	112	A313 I314 F320 Q321	A313-R317 WeakPolarHBondContact O-CB 3.19Å; A313-R317 VanDerWaalsContact O-CG 3.24Å; A313-R317 WeakPolarHBondContact O-CG 3.43Å; A313-R317 PolarHBondContact O-N 3.25Å; A313-R317 VanDerWaalsContact O-N 3.09Å; I314-R317 PolarHBondContact O-N 3.4Å; R317-F320 PolarHBondContact O-N 2.86Å; R317-Q321 WeakPolarHBondContact O-CB 3.16Å; R317-Q321 PolarHBondContact O-N 2.91Å
318	R	89.4	Confident	90.1	Very high	133 Å²	133	93.3 Å²	93.3	50%	0.502	46%	0.455	S	S	.	.	H	α-helix	trans	-63.6	-42	177.7	-169.7	172.9	178.4	-170.1	-5.9	111.5	I314 A315 K316 Q321 Y322	I314-R318 WeakPolarHBondContact O-CB 3.47Å; I314-R318 PolarHBondContact O-N 2.81Å; A315-R318 PolarHBondContact O-N 3.48Å; K316-R318 VanDerWaalsContact C-N 3.33Å; K316-R318 PolarHBondContact O-N 3.2Å; R318-Q321 PolarHBondContact O-N 2.97Å; R318-Y322 HydrophobicContact CG-CD2 3.6Å; R318-Y322 HydrophobicContact CG-CE2 3.61Å; R318-Y322 VanDerWaalsContact O-CD2 3.23Å; R318-Y322 WeakPolarHBondContact O-CD2 3.3Å; R318-Y322 PolarHBondContact O-N 2.86Å
319	F	92.1	Very high	90.1	Very high	20 Å²	20	89.2 Å²	89.2	9%	0.088	44%	0.437	C	S	.	.	H	α-helix	trans	-57.3	-50	173.9	174.6	-95.9	0	0	0	111.6	L303 W304 A315 K316 Q321 Y322 F323 L326	L303-F319 HydrophobicContact CB-CD2 4.15Å; L303-F319 HydrophobicContact CB-CE2 3.94Å; W304-F319 HydrophobicContact CB-CE1 4.26Å; W304-F319 HydrophobicContact CB-CE2 4.22Å; W304-F319 HydrophobicContact CB-CZ 3.97Å; W304-F319 AromaticContact CE3-CD1 3.67Å; W304-F319 HydrophobicContact CE3-CD1 3.67Å; W304-F319 AromaticContact CE3-CE1 3.92Å; W304-F319 HydrophobicContact CE3-CE1 3.92Å; W304-F319 HydrophobicContact CE3-CG 4.28Å; W304-F319 HydrophobicContact CZ3-CD1 4.27Å; A315-F319 PolarHBondContact O-N 3.27Å; K316-F319 PolarHBondContact O-N 2.96Å; F319-Q321 PolarHBondContact O-N 3.45Å; F319-Y322 CarbonylContact O-C 3.57Å; F319-Y322 PolarHBondContact O-N 3Å; F319-F323 AromaticContact CE1-CD2 3.8Å; F319-F323 HydrophobicContact CE1-CD2 3.8Å; F319-F323 HydrophobicContact CE1-CE2 4.32Å; F319-F323 AromaticContact CZ-CD2 3.77Å; F319-F323 HydrophobicContact CZ-CD2 3.77Å; F319-F323 HydrophobicContact CZ-CE2 4.12Å; F319-F323 WeakPolarHBondContact O-CA 3.37Å; F319-F323 PolarHBondContact O-N 3.11Å; F319-L326 HydrophobicContact CD2-CD1 4.11Å; F319-L326 HydrophobicContact CE2-CD1 4.22Å
320	F	92.6	Very high	90.3	Very high	129 Å²	129	82.6 Å²	82.6	57%	0.566	41%	0.405	S	S	*	.	H	α-helix	trans	-66.7	-36	178.2	-71.8	-63.3	0	0	0	113.1	W304 K316 R317 Y322 F323	W304-F320 HydrophobicContact CE3-CE2 4.4Å; W304-F320 HydrophobicContact CE3-CZ 4.27Å; W304-F320 AromaticContact CH2-CE2 3.93Å; W304-F320 HydrophobicContact CH2-CE2 3.93Å; W304-F320 HydrophobicContact CH2-CZ 4.04Å; W304-F320 HydrophobicContact CZ3-CD2 4.37Å; W304-F320 AromaticContact CZ3-CE2 3.44Å; W304-F320 HydrophobicContact CZ3-CE2 3.44Å; W304-F320 VanDerWaalsContact CZ3-CE2 3.44Å; W304-F320 AromaticContact CZ3-CZ 3.59Å; W304-F320 HydrophobicContact CZ3-CZ 3.59Å; K316-F320 WeakPolarHBondContact O-CD2 3.01Å; K316-F320 PolarHBondContact O-N 3.01Å; R317-F320 PolarHBondContact O-N 2.86Å; F320-Y322 VanDerWaalsContact C-N 3.3Å; F320-Y322 PolarHBondContact O-N 2.77Å; F320-F323 WeakPolarHBondContact O-CB 3.36Å; F320-F323 PolarHBondContact O-N 3.31Å
321	Q	93	Very high	90.7	Very high	136 Å²	136	77.5 Å²	77.5	64%	0.636	38%	0.378	S	S	*	.	H	α-helix	trans	-60.6	-39.1	175.9	-178	-178.1	9.2	0	0	112.2	R317 R318 F319	R317-Q321 WeakPolarHBondContact O-CB 3.16Å; R317-Q321 PolarHBondContact O-N 2.91Å; R318-Q321 PolarHBondContact O-N 2.97Å; F319-Q321 PolarHBondContact O-N 3.45Å
322	Y	91.1	Very high	91.3	Very high	86 Å²	86	76.4 Å²	76.4	34%	0.337	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	7.5	-178.1	-64.5	-64.6	0	0	0	113.6	R318 F319 F320 D324 Q325 L326	R318-Y322 HydrophobicContact CG-CD2 3.6Å; R318-Y322 HydrophobicContact CG-CE2 3.61Å; R318-Y322 VanDerWaalsContact O-CD2 3.23Å; R318-Y322 WeakPolarHBondContact O-CD2 3.3Å; R318-Y322 PolarHBondContact O-N 2.86Å; F319-Y322 CarbonylContact O-C 3.57Å; F319-Y322 PolarHBondContact O-N 3Å; F320-Y322 VanDerWaalsContact C-N 3.3Å; F320-Y322 PolarHBondContact O-N 2.77Å; Y322-D324 PolarHBondContact O-N 2.94Å; Y322-Q325 VanDerWaalsContact CD1-OE1 3.27Å; Y322-Q325 WeakPolarHBondContact O-CB 3.42Å; Y322-Q325 PolarHBondContact O-N 3.49Å; Y322-Q325 VanDerWaalsContact O-N 3.09Å; Y322-L326 WeakPolarHBondContact O-CG 3.1Å; Y322-L326 PolarHBondContact O-N 3.42Å
323	F	92.7	Very high	91.5	Very high	60 Å²	60	76.1 Å²	76.1	26%	0.263	35%	0.348	S	S	.	.	H	α-helix	trans	-56.5	-46.4	-172.8	179.4	-99.1	0	0	0	112.7	I292 L300 F319 F320 Q325 L326 R327	I292-F323 HydrophobicContact CD1-CZ 4.44Å; L300-F323 HydrophobicContact CD1-CE2 4.2Å; L300-F323 HydrophobicContact CD1-CZ 4.47Å; F319-F323 AromaticContact CE1-CD2 3.8Å; F319-F323 HydrophobicContact CE1-CD2 3.8Å; F319-F323 HydrophobicContact CE1-CE2 4.32Å; F319-F323 AromaticContact CZ-CD2 3.77Å; F319-F323 HydrophobicContact CZ-CD2 3.77Å; F319-F323 HydrophobicContact CZ-CE2 4.12Å; F319-F323 WeakPolarHBondContact O-CA 3.37Å; F319-F323 PolarHBondContact O-N 3.11Å; F320-F323 WeakPolarHBondContact O-CB 3.36Å; F320-F323 PolarHBondContact O-N 3.31Å; F323-Q325 VanDerWaalsContact C-N 3.31Å; F323-Q325 PolarHBondContact O-N 3.3Å; F323-L326 PolarHBondContact O-N 2.88Å; F323-R327 WeakPolarHBondContact O-CB 3.4Å; F323-R327 PolarHBondContact O-N 3.11Å
324	D	91.5	Very high	91.9	Very high	102 Å²	102	73.4 Å²	73.4	55%	0.545	33%	0.325	S	S	.	.	H	α-helix	trans	-64	-37.9	179.6	-67.8	-40.2	0	0	0	112	Y322 R327 Q328	Y322-D324 PolarHBondContact O-N 2.94Å; D324-R327 PolarHBondContact O-N 3.46Å; D324-Q328 WeakPolarHBondContact O-CB 3.21Å; D324-Q328 WeakPolarHBondContact O-CG 3.22Å; D324-Q328 PolarHBondContact O-N 3.2Å
325	Q	90.3	Very high	92.1	Very high	112 Å²	112	67.5 Å²	67.5	52%	0.523	29%	0.294	S	S	.	.	H	α-helix	trans	-66.8	-44	176.3	-62.4	-179.2	3.5	0	0	111.2	Y322 F323 R327 Q328 L329	Y322-Q325 VanDerWaalsContact CD1-OE1 3.27Å; Y322-Q325 WeakPolarHBondContact O-CB 3.42Å; Y322-Q325 PolarHBondContact O-N 3.49Å; Y322-Q325 VanDerWaalsContact O-N 3.09Å; F323-Q325 VanDerWaalsContact C-N 3.31Å; F323-Q325 PolarHBondContact O-N 3.3Å; Q325-R327 VanDerWaalsContact C-N 3.33Å; Q325-R327 PolarHBondContact O-N 3.02Å; Q325-Q328 PolarHBondContact O-N 3.25Å; Q325-L329 PolarHBondContact O-N 3.23Å
326	L	91.5	Very high	92.4	Very high	16 Å²	16	66.5 Å²	66.5	8%	0.084	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-40.4	176.7	-67.4	172.9	0	0	0	111.6	L300 L303 F319 Y322 F323 Q328 L329 F364	L300-L326 HydrophobicContact CD2-CB 3.72Å; L303-L326 HydrophobicContact CD1-CD1 3.99Å; L303-L326 HydrophobicContact CD1-CD2 3.99Å; F319-L326 HydrophobicContact CD2-CD1 4.11Å; F319-L326 HydrophobicContact CE2-CD1 4.22Å; Y322-L326 WeakPolarHBondContact O-CG 3.1Å; Y322-L326 PolarHBondContact O-N 3.42Å; F323-L326 PolarHBondContact O-N 2.88Å; L326-Q328 VanDerWaalsContact C-N 3.29Å; L326-Q328 PolarHBondContact O-N 2.9Å; L326-L329 HydrophobicContact CD2-CD1 3.95Å; L326-L329 WeakPolarHBondContact O-CB 3.02Å; L326-L329 WeakPolarHBondContact O-CG 3.45Å; L326-L329 PolarHBondContact O-N 3.5Å; L326-F364 HydrophobicContact CD2-CD2 4.46Å; L326-F364 HydrophobicContact CD2-CE1 4.37Å; L326-F364 HydrophobicContact CD2-CE2 3.71Å; L326-F364 HydrophobicContact CD2-CZ 3.66Å
327	R	91.8	Very high	92.6	Very high	114 Å²	114	65 Å²	65	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-33.7	175.2	-177.2	-178.1	172.3	-173.7	1	112.2	I292 K296 F323 D324 Q325 L329	I292-R327 HydrophobicContact CD1-CG 4.39Å; K296-R327 VanDerWaalsContact CD-O 3.25Å; K296-R327 WeakPolarHBondContact CD-O 3.2Å; K296-R327 PolarHBondContact NZ-O 2.8Å; F323-R327 WeakPolarHBondContact O-CB 3.4Å; F323-R327 PolarHBondContact O-N 3.11Å; D324-R327 PolarHBondContact O-N 3.46Å; Q325-R327 VanDerWaalsContact C-N 3.33Å; Q325-R327 PolarHBondContact O-N 3.02Å; R327-L329 VanDerWaalsContact C-N 3.31Å
328	Q	91.5	Very high	92.5	Very high	123 Å²	123	58.7 Å²	58.7	58%	0.575	26%	0.261	S	S	*	.	H	α-helix	trans	-79.4	-9.8	179.4	-73.5	171.7	10.2	0	0	113.9	D324 Q325 L326 R330	D324-Q328 WeakPolarHBondContact O-CB 3.21Å; D324-Q328 WeakPolarHBondContact O-CG 3.22Å; D324-Q328 PolarHBondContact O-N 3.2Å; Q325-Q328 PolarHBondContact O-N 3.25Å; L326-Q328 VanDerWaalsContact C-N 3.29Å; L326-Q328 PolarHBondContact O-N 2.9Å; Q328-R330 VanDerWaalsContact C-NH1 3.35Å; Q328-R330 PolarHBondContact O-NH1 2.77Å
329	L	92.9	Very high	92.6	Very high	11 Å²	11	56.1 Å²	56.1	6%	0.058	26%	0.255	C	S	.	.			trans	-57.2	146.4	176.6	-67.8	173.2	0	0	0	112.4	K296 Q325 L326 R327 Y346 T347 F364	K296-L329 VanDerWaalsContact CE-O 3.24Å; K296-L329 WeakPolarHBondContact CE-O 3.28Å; K296-L329 PolarHBondContact NZ-O 3.36Å; Q325-L329 PolarHBondContact O-N 3.23Å; L326-L329 HydrophobicContact CD2-CD1 3.95Å; L326-L329 WeakPolarHBondContact O-CB 3.02Å; L326-L329 WeakPolarHBondContact O-CG 3.45Å; L326-L329 PolarHBondContact O-N 3.5Å; R327-L329 VanDerWaalsContact C-N 3.31Å; L329-Y346 HydrophobicContact CB-CD1 4.17Å; L329-T347 CarbonylContact C-O 3.52Å; L329-T347 WeakPolarHBondContact CA-O 3.37Å; L329-F364 HydrophobicContact CD1-CD2 3.46Å; L329-F364 VanDerWaalsContact CD1-CD2 3.46Å; L329-F364 HydrophobicContact CD1-CE2 3.84Å; L329-F364 HydrophobicContact CD1-CG 4.33Å; L329-F364 HydrophobicContact CD2-CD2 4.32Å
330	R	93.9	Very high	92.7	Very high	24 Å²	24	58.3 Å²	58.3	9%	0.091	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.2	-179.1	-65.3	-61.9	-171.8	-82.7	3.2	110.3	E178 V180 Q237 Q328 W332 Y346 T347 E349 V352	E178-R330 PolarHBondContact O-NE 2.76Å; V180-R330 HydrophobicContact CG1-CB 4.28Å; V180-R330 HydrophobicContact CG1-CG 3.77Å; Q237-R330 VanDerWaalsContact OE1-CA 3.3Å; Q328-R330 VanDerWaalsContact C-NH1 3.35Å; Q328-R330 PolarHBondContact O-NH1 2.77Å; R330-W332 PolarHBondContact O-N 3.32Å; R330-Y346 CarbonylContact O-C 3.6Å; R330-Y346 VanDerWaalsContact O-CA 3.29Å; R330-Y346 WeakPolarHBondContact O-CA 3.39Å; R330-T347 PolarHBondContact N-O 2.66Å; R330-T347 PolarHBondContact O-N 3.13Å; R330-E349 HydrophobicContact CG-CB 4.12Å; R330-E349 HydrophobicContact CG-CG 4.5Å; R330-V352 HydrophobicContact CB-CB 4.27Å; R330-V352 HydrophobicContact CB-CG1 4.35Å; R330-V352 HydrophobicContact CB-CG2 3.76Å
331	M	95.4	Very high	92.8	Very high	2 Å²	2	54 Å²	54	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	127	172.3	-62.7	-171.4	-69.6	0	0	109.5	L232 Q237 I239 L295 I344 Y346	L232-M331 HydrophobicContact CD1-CB 4.01Å; L232-M331 HydrophobicContact CD1-CE 4.13Å; L232-M331 HydrophobicContact CD1-SD 4.33Å; Q237-M331 HydrophobicContact CB-CE 4.11Å; Q237-M331 PolarHBondContact NE2-O 3.38Å; Q237-M331 VanDerWaalsContact NE2-O 3.14Å; Q237-M331 WeakPolarHBondContact O-CE 3.21Å; I239-M331 HydrophobicContact CD1-SD 3.89Å; I239-M331 HydrophobicContact CG1-CE 4.38Å; I239-M331 HydrophobicContact CG1-SD 4.18Å; L295-M331 HydrophobicContact CD2-CE 4.45Å; L295-M331 HydrophobicContact CD2-SD 3.83Å; M331-I344 HydrophobicContact CB-CG2 4.2Å; M331-I344 HydrophobicContact CG-CG2 3.71Å; M331-I344 HydrophobicContact SD-CD1 4.46Å; M331-I344 HydrophobicContact SD-CG2 3.84Å; M331-Y346 HydrophobicContact CB-CE1 4.46Å; M331-Y346 HydrophobicContact CG-CD1 4Å; M331-Y346 HydrophobicContact CG-CE1 3.34Å; M331-Y346 HydrophobicContact CG-CE2 4.15Å; M331-Y346 VanDerWaalsContact CG-CZ 3.43Å; M331-Y346 HydrophobicContact SD-CE1 4.43Å
332	W	92.1	Very high	92.9	Very high	37 Å²	37	47.5 Å²	47.5	14%	0.14	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-43.6	-178.9	179.3	-135.1	0	0	0	112.8	I215 R330 K345 T347 V352 L354	I215-W332 HydrophobicContact CD1-CE3 4.44Å; I215-W332 HydrophobicContact CD1-CH2 4.03Å; I215-W332 HydrophobicContact CD1-CZ3 3.88Å; R330-W332 PolarHBondContact O-N 3.32Å; W332-K345 PolarHBondContact N-O 3.42Å; W332-T347 HydrophobicContact CB-CG2 3.76Å; W332-T347 HydrophobicContact CG-CG2 4.08Å; W332-V352 HydrophobicContact CB-CG2 3.93Å; W332-V352 HydrophobicContact CD2-CG2 4.4Å; W332-V352 VanDerWaalsContact CE3-CA 3.45Å; W332-V352 HydrophobicContact CE3-CB 4.04Å; W332-V352 HydrophobicContact CE3-CG1 4.03Å; W332-V352 HydrophobicContact CE3-CG2 4.02Å; W332-V352 HydrophobicContact CG-CG2 4.44Å; W332-V352 HydrophobicContact CZ3-CG1 4.46Å; W332-V352 WeakPolarHBondContact CZ3-O 3.22Å; W332-L354 HydrophobicContact CH2-CD2 3.55Å; W332-L354 HydrophobicContact CH2-CG 3.9Å; W332-L354 HydrophobicContact CZ2-CD2 4.05Å
333	K	93.6	Very high	93.2	Very high	36 Å²	36	43.5 Å²	43.5	16%	0.157	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	156.1	-176.5	-70	-173.5	174.2	-163.3	0	109.3	Q220 K345 P450	Q220-K333 VanDerWaalsContact OE1-CE 3.25Å; K333-K345 HydrophobicContact CB-CB 4.3Å; K333-K345 PolarHBondContact O-N 3.19Å; K333-P450 VanDerWaalsContact CB-CD 3.49Å; K333-P450 HydrophobicContact CB-CG 3.81Å
334	M	95.3	Very high	93.4	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.025	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	167	173.2	69.7	167.7	-172.5	0	0	111.7	A230 I231 L232 I239 L342 F343	A230-M334 HydrophobicContact CB-CE 3.52Å; A230-M334 HydrophobicContact CB-SD 4.04Å; A230-M334 WeakPolarHBondContact O-CE 3.3Å; I231-M334 VanDerWaalsContact CA-CE 3.48Å; I231-M334 VanDerWaalsContact N-CE 3.32Å; L232-M334 HydrophobicContact CB-CE 3.79Å; L232-M334 HydrophobicContact CB-CG 3.87Å; L232-M334 HydrophobicContact CB-SD 3.79Å; L232-M334 HydrophobicContact CD2-CG 4.38Å; I239-M334 HydrophobicContact CB-SD 4.29Å; I239-M334 HydrophobicContact CD1-CB 4.46Å; I239-M334 HydrophobicContact CD1-SD 3.93Å; I239-M334 HydrophobicContact CG1-SD 3.83Å; I239-M334 HydrophobicContact CG2-CE 4.36Å; I239-M334 HydrophobicContact CG2-SD 3.55Å; I239-M334 VanDerWaalsContact CG2-SD 3.55Å; M334-L342 HydrophobicContact SD-CD2 4.45Å; M334-F343 CarbonylContact C-O 3.59Å; M334-F343 VanDerWaalsContact CA-O 3.25Å; M334-F343 WeakPolarHBondContact CA-O 3.3Å
335	Q	95.1	Very high	93.6	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	147	175.5	160.3	167.3	11.7	0	0	108.7	Y223 L337 F343 F397 P450	Y223-Q335 HydrophobicContact CD2-CB 4.02Å; Y223-Q335 HydrophobicContact CD2-CG 3.98Å; Y223-Q335 HydrophobicContact CE1-CG 4.41Å; Y223-Q335 HydrophobicContact CE2-CB 4Å; Y223-Q335 HydrophobicContact CE2-CG 3.5Å; Y223-Q335 PolarHBondContact OH-NE2 2.86Å; Y223-Q335 VanDerWaalsContact OH-NE2 3.15Å; Q335-L337 HydrophobicContact CG-CD2 4.4Å; Q335-F343 HydrophobicContact CB-CB 4.34Å; Q335-F343 PolarHBondContact N-O 3.42Å; Q335-F343 PolarHBondContact O-N 2.95Å; Q335-F397 PolarHBondContact NE2-O 2.83Å; Q335-P450 HydrophobicContact CB-CB 3.56Å
336	L	94.2	Very high	93.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	128.8	163.1	-67.8	162.4	0	0	0	108.9	Y223 I228 A230 L342 M370	Y223-L336 HydrophobicContact CD1-CB 3.57Å; Y223-L336 HydrophobicContact CD1-CD1 4.11Å; Y223-L336 HydrophobicContact CD1-CG 4.1Å; Y223-L336 HydrophobicContact CE1-CB 3.88Å; Y223-L336 VanDerWaalsContact CE1-O 3.26Å; Y223-L336 WeakPolarHBondContact CE1-O 3.42Å; Y223-L336 HydrophobicContact CG-CB 4.39Å; I228-L336 HydrophobicContact CB-CD1 4.42Å; I228-L336 HydrophobicContact CG2-CD1 4.04Å; A230-L336 HydrophobicContact CB-CD1 3.88Å; A230-L336 HydrophobicContact CB-CD2 4.39Å; A230-L336 HydrophobicContact CB-CG 4.06Å; L336-L342 HydrophobicContact CD2-CD2 3.46Å; L336-L342 VanDerWaalsContact CD2-CD2 3.46Å; L336-L342 HydrophobicContact CD2-CG 4.14Å; L336-L342 HydrophobicContact CG-CD2 4.1Å; L336-M370 HydrophobicContact CD2-CE 3.58Å; L336-M370 HydrophobicContact CD2-SD 4.33Å
337	L	92.6	Very high	93.9	Very high	35 Å²	35	31.2 Å²	31.2	18%	0.183	14%	0.143	C	C	.	.	S	Bend	trans	-85.6	-36.8	172.3	-62.5	177.5	0	0	0	110.9	Q335 H341 F343 V367 F397 N399	Q335-L337 HydrophobicContact CG-CD2 4.4Å; L337-H341 HydrophobicContact CB-CB 4.34Å; L337-H341 PolarHBondContact N-O 3.13Å; L337-F343 HydrophobicContact CD1-CB 3.98Å; L337-F343 HydrophobicContact CD1-CG 4.46Å; L337-F343 HydrophobicContact CD2-CB 3.89Å; L337-F343 HydrophobicContact CD2-CD1 4.48Å; L337-F343 HydrophobicContact CD2-CG 4.3Å; L337-F343 HydrophobicContact CG-CB 3.77Å; L337-V367 HydrophobicContact CD1-CG1 4.27Å; L337-V367 HydrophobicContact CD1-CG2 4.47Å; L337-F397 HydrophobicContact CD2-CD1 3.85Å; L337-F397 HydrophobicContact CD2-CE1 3.96Å; L337-N399 PolarHBondContact O-ND2 3.3Å
338	D	90.6	Very high	93.9	Very high	52 Å²	52	27.2 Å²	27.2	28%	0.278	13%	0.132	S	C	.	.	S	Bend	trans	-152.6	-161.1	174.3	62.3	28.6	0	0	0	109.9	Y225 N340 H341	Y225-D338 VanDerWaalsContact CD1-C 3.48Å; Y225-D338 VanDerWaalsContact CE1-C 3.47Å; Y225-D338 VanDerWaalsContact CE1-CA 3.48Å; Y225-D338 HydrophobicContact CE1-CB 4.29Å; D338-N340 PolarHBondContact O-N 2.98Å; D338-N340 WeakPolarHBondContact OD1-CA 3.43Å; D338-N340 PolarHBondContact OD1-N 3.11Å; D338-H341 WeakPolarHBondContact OD1-CB 3.45Å; D338-H341 IonicContact OD1-CG 2.85Å; D338-H341 PolarHBondContact OD1-N 2.85Å; D338-H341 IonicContact OD1-ND1 3.35Å; D338-H341 PolarHBondContact OD1-ND1 3.17Å; D338-H341 IonicContact OD2-CE1 2.85Å; D338-H341 IonicContact OD2-CG 4Å; D338-H341 IonicContact OD2-ND1 3.32Å; D338-H341 PolarHBondContact OD2-ND1 3.21Å
339	E	90.8	Very high	93.8	Very high	79 Å²	79	23.5 Å²	23.5	37%	0.369	12%	0.115	S	C	.	.	S	Bend	trans	-66.9	-23.6	-178.9	-58.2	177.9	-177.4	0	0	113.5	Y225 K226 I228 M370	Y225-E339 HydrophobicContact CD1-CG 4.19Å; Y225-E339 HydrophobicContact CE1-CG 3.8Å; K226-E339 HydrophobicContact CD-CG 4.38Å; K226-E339 VanDerWaalsContact CD-OE1 3.28Å; K226-E339 WeakPolarHBondContact CD-OE1 3.36Å; K226-E339 IonicContact NZ-OE1 3.79Å; K226-E339 PolarHBondContact NZ-OE1 3.48Å; I228-E339 HydrophobicContact CD1-CB 3.82Å; I228-E339 HydrophobicContact CD1-CG 4.33Å; I228-E339 WeakPolarHBondContact CD1-O 3.46Å; E339-M370 VanDerWaalsContact O-CE 3.28Å; E339-M370 WeakPolarHBondContact O-CE 3.38Å
340	N	93.9	Very high	93.6	Very high	65 Å²	65	26.4 Å²	26.4	35%	0.348	13%	0.131	S	C	.	.	S	Bend	trans	-117.8	-24.5	-168.2	-63	-32.8	0	0	0	113.2	D338 M370 V371	D338-N340 PolarHBondContact O-N 2.98Å; D338-N340 WeakPolarHBondContact OD1-CA 3.43Å; D338-N340 PolarHBondContact OD1-N 3.11Å; N340-M370 WeakPolarHBondContact O-CB 3.42Å; N340-M370 WeakPolarHBondContact O-CG 3.42Å; N340-M370 PolarHBondContact O-N 2.91Å; N340-V371 HydrophobicContact CB-CG2 4.22Å; N340-V371 WeakPolarHBondContact OD1-CG2 3.38Å
341	H	95.1	Very high	93.2	Very high	38 Å²	38	26.1 Å²	26.1	18%	0.176	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.7	-169.3	-59.6	102.3	0	0	0	112.1	L337 D338 Y368 N369 I376	L337-H341 HydrophobicContact CB-CB 4.34Å; L337-H341 PolarHBondContact N-O 3.13Å; D338-H341 WeakPolarHBondContact OD1-CB 3.45Å; D338-H341 IonicContact OD1-CG 2.85Å; D338-H341 PolarHBondContact OD1-N 2.85Å; D338-H341 IonicContact OD1-ND1 3.35Å; D338-H341 PolarHBondContact OD1-ND1 3.17Å; D338-H341 IonicContact OD2-CE1 2.85Å; D338-H341 IonicContact OD2-CG 4Å; D338-H341 IonicContact OD2-ND1 3.32Å; D338-H341 PolarHBondContact OD2-ND1 3.21Å; H341-Y368 CarbonylContact C-O 3.42Å; H341-Y368 WeakPolarHBondContact CA-O 3.43Å; H341-N369 PolarHBondContact NE2-ND2 3.31Å; H341-I376 WeakPolarHBondContact CD2-CD1 3.2Å; H341-I376 WeakPolarHBondContact NE2-CD1 3.44Å
342	L	95.9	Very high	92.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	140.4	169.5	-75.3	168.6	0	0	0	110.7	A230 I239 I256 M334 L336 I344 V367 Y368 M370	A230-L342 HydrophobicContact CB-CD2 4.36Å; I239-L342 HydrophobicContact CD1-CD1 4.02Å; I239-L342 HydrophobicContact CG2-CD1 4.14Å; I256-L342 HydrophobicContact CD1-CD1 3.64Å; M334-L342 HydrophobicContact SD-CD2 4.45Å; L336-L342 HydrophobicContact CD2-CD2 3.46Å; L336-L342 VanDerWaalsContact CD2-CD2 3.46Å; L336-L342 HydrophobicContact CD2-CG 4.14Å; L336-L342 HydrophobicContact CG-CD2 4.1Å; L342-I344 HydrophobicContact CB-CD1 4.19Å; L342-I344 HydrophobicContact CB-CG1 4.01Å; L342-I344 HydrophobicContact CD1-CD1 4.48Å; L342-V367 CarbonylContact O-C 3.58Å; L342-V367 WeakPolarHBondContact O-CA 3.48Å; L342-Y368 HydrophobicContact CD1-CD1 4.24Å; L342-Y368 PolarHBondContact N-O 3.47Å; L342-Y368 PolarHBondContact O-N 2.79Å; L342-M370 HydrophobicContact CD1-CG 3.56Å; L342-M370 HydrophobicContact CD1-SD 3.48Å; L342-M370 WeakPolarHBondContact CD1-SD 3.42Å; L342-M370 HydrophobicContact CD2-SD 4.2Å; L342-M370 HydrophobicContact CG-CE 4.26Å; L342-M370 HydrophobicContact CG-CG 3.76Å; L342-M370 HydrophobicContact CG-SD 3.54Å; L342-M370 VanDerWaalsContact CG-SD 3.54Å
343	F	96.9	Very high	92.3	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	106.2	169.9	-172	-130.7	0	0	0	109.7	M334 Q335 L337 F365 V366 V367 L386 F397 L449 P450	M334-F343 CarbonylContact C-O 3.59Å; M334-F343 VanDerWaalsContact CA-O 3.25Å; M334-F343 WeakPolarHBondContact CA-O 3.3Å; Q335-F343 HydrophobicContact CB-CB 4.34Å; Q335-F343 PolarHBondContact N-O 3.42Å; Q335-F343 PolarHBondContact O-N 2.95Å; L337-F343 HydrophobicContact CD1-CB 3.98Å; L337-F343 HydrophobicContact CD1-CG 4.46Å; L337-F343 HydrophobicContact CD2-CB 3.89Å; L337-F343 HydrophobicContact CD2-CD1 4.48Å; L337-F343 HydrophobicContact CD2-CG 4.3Å; L337-F343 HydrophobicContact CG-CB 3.77Å; F343-F365 AromaticContact CE1-CD1 3.99Å; F343-F365 HydrophobicContact CE1-CD1 3.99Å; F343-F365 HydrophobicContact CE2-CB 3.61Å; F343-F365 HydrophobicContact CE2-CD1 4.25Å; F343-F365 HydrophobicContact CE2-CG 4.31Å; F343-F365 HydrophobicContact CZ-CB 3.71Å; F343-F365 AromaticContact CZ-CD1 3.59Å; F343-F365 HydrophobicContact CZ-CD1 3.59Å; F343-F365 HydrophobicContact CZ-CE1 4.46Å; F343-F365 AromaticContact CZ-CG 3.89Å; F343-F365 HydrophobicContact CZ-CG 3.89Å; F343-V366 WeakPolarHBondContact CA-O 3.48Å; F343-V367 HydrophobicContact CD2-CG2 3.85Å; F343-V367 HydrophobicContact CE2-CG2 4.18Å; F343-L386 HydrophobicContact CZ-CD1 4.17Å; F343-L386 HydrophobicContact CZ-CD2 4.13Å; F343-F397 HydrophobicContact CD1-CE1 4.37Å; F343-F397 HydrophobicContact CE1-CD1 4.38Å; F343-F397 HydrophobicContact CE1-CE1 4.03Å; F343-F397 HydrophobicContact CZ-CE1 4.31Å; F343-L449 HydrophobicContact CE1-CB 3.91Å; F343-L449 HydrophobicContact CE1-CD1 3.93Å; F343-L449 HydrophobicContact CE1-CD2 4.33Å; F343-L449 HydrophobicContact CE1-CG 4.26Å; F343-L449 HydrophobicContact CZ-CD1 4.12Å; F343-P450 HydrophobicContact CD1-CB 4.08Å; F343-P450 HydrophobicContact CD1-CG 4.21Å
344	I	96.8	Very high	91.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.4	-168.7	-51.9	171.3	0	0	0	109	I239 L295 M331 L342 Y346 F365 V366	I239-I344 HydrophobicContact CD1-CD1 3.59Å; I239-I344 HydrophobicContact CD1-CG1 3.94Å; L295-I344 HydrophobicContact CD2-CD1 4.4Å; M331-I344 HydrophobicContact CB-CG2 4.2Å; M331-I344 HydrophobicContact CG-CG2 3.71Å; M331-I344 HydrophobicContact SD-CD1 4.46Å; M331-I344 HydrophobicContact SD-CG2 3.84Å; L342-I344 HydrophobicContact CB-CD1 4.19Å; L342-I344 HydrophobicContact CB-CG1 4.01Å; L342-I344 HydrophobicContact CD1-CD1 4.48Å; I344-Y346 HydrophobicContact CB-CD2 4.43Å; I344-Y346 HydrophobicContact CB-CE2 3.96Å; I344-Y346 HydrophobicContact CG2-CD2 3.89Å; I344-Y346 HydrophobicContact CG2-CE2 3.46Å; I344-Y346 VanDerWaalsContact CG2-CE2 3.46Å; I344-F365 CarbonylContact O-C 3.54Å; I344-F365 WeakPolarHBondContact O-CA 3.02Å; I344-V366 PolarHBondContact N-O 2.83Å; I344-V366 PolarHBondContact O-N 3.21Å
345	K	95.8	Very high	91.2	Very high	25 Å²	25	31.1 Å²	31.1	11%	0.109	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	121.4	172.8	-176.4	175.1	-172	167.4	0	110.4	W332 K333 F364 F365 L449 P450	W332-K345 PolarHBondContact N-O 3.42Å; K333-K345 HydrophobicContact CB-CB 4.3Å; K333-K345 PolarHBondContact O-N 3.19Å; K345-F364 CarbonylContact C-O 3.59Å; K345-F364 WeakPolarHBondContact CA-O 3.37Å; K345-F365 HydrophobicContact CB-CD1 4.2Å; K345-F365 HydrophobicContact CB-CE1 4.24Å; K345-F365 HydrophobicContact CD-CD1 4.46Å; K345-F365 HydrophobicContact CD-CE1 3.73Å; K345-F365 HydrophobicContact CD-CZ 4.16Å; K345-F365 HydrophobicContact CG-CD1 4.23Å; K345-F365 HydrophobicContact CG-CE1 3.98Å; K345-L449 PolarHBondContact NZ-O 3.24Å; K345-P450 HydrophobicContact CB-CG 3.92Å
346	Y	95.1	Very high	90.5	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	139	173.7	-75.4	-93.4	0	0	0	110.9	L295 L299 L329 R330 M331 I344 S363 F364 V366	L295-Y346 WeakPolarHBondContact CD2-OH 3.18Å; L299-Y346 HydrophobicContact CD2-CD1 4.41Å; L299-Y346 HydrophobicContact CD2-CD2 4.27Å; L299-Y346 HydrophobicContact CD2-CE1 4.38Å; L299-Y346 HydrophobicContact CD2-CE2 4.23Å; L299-Y346 HydrophobicContact CD2-CG 4.34Å; L329-Y346 HydrophobicContact CB-CD1 4.17Å; R330-Y346 CarbonylContact O-C 3.6Å; R330-Y346 VanDerWaalsContact O-CA 3.29Å; R330-Y346 WeakPolarHBondContact O-CA 3.39Å; M331-Y346 HydrophobicContact CB-CE1 4.46Å; M331-Y346 HydrophobicContact CG-CD1 4Å; M331-Y346 HydrophobicContact CG-CE1 3.34Å; M331-Y346 HydrophobicContact CG-CE2 4.15Å; M331-Y346 VanDerWaalsContact CG-CZ 3.43Å; M331-Y346 HydrophobicContact SD-CE1 4.43Å; I344-Y346 HydrophobicContact CB-CD2 4.43Å; I344-Y346 HydrophobicContact CB-CE2 3.96Å; I344-Y346 HydrophobicContact CG2-CD2 3.89Å; I344-Y346 HydrophobicContact CG2-CE2 3.46Å; I344-Y346 VanDerWaalsContact CG2-CE2 3.46Å; Y346-S363 CarbonylContact O-C 3.58Å; Y346-S363 VanDerWaalsContact O-CA 3.23Å; Y346-S363 WeakPolarHBondContact O-CA 3.29Å; Y346-S363 WeakPolarHBondContact O-CB 3.16Å; Y346-F364 PolarHBondContact N-O 3.18Å; Y346-F364 PolarHBondContact O-N 3.29Å; Y346-V366 HydrophobicContact CD2-CB 4.18Å; Y346-V366 HydrophobicContact CD2-CG2 3.51Å; Y346-V366 HydrophobicContact CE2-CB 4.05Å; Y346-V366 HydrophobicContact CE2-CG2 3.74Å
347	T	93.3	Very high	89.1	Confident	6 Å²	6	39.8 Å²	39.8	4%	0.037	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	-176.4	176.1	-165.8	0	0	0	0	110.4	L329 R330 W332 V351 V352	L329-T347 CarbonylContact C-O 3.52Å; L329-T347 WeakPolarHBondContact CA-O 3.37Å; R330-T347 PolarHBondContact N-O 2.66Å; R330-T347 PolarHBondContact O-N 3.13Å; W332-T347 HydrophobicContact CB-CG2 3.76Å; W332-T347 HydrophobicContact CG-CG2 4.08Å; T347-V351 HydrophobicContact CG2-CB 3.9Å; T347-V351 HydrophobicContact CG2-CG1 3.85Å; T347-V352 HydrophobicContact CG2-CG2 3.49Å; T347-V352 VanDerWaalsContact CG2-CG2 3.49Å
348	S	91.4	Very high	87.5	Confident	30 Å²	30	42 Å²	42	21%	0.21	22%	0.22	C	C	.	.			trans	-69.6	151	178.7	60.8	0	0	0	0	112	D350 V351 V352	S348-D350 PolarHBondContact O-N 3.35Å; S348-V351 PolarHBondContact O-N 2.87Å; S348-V351 VanDerWaalsContact O-N 3.14Å; S348-V351 WeakPolarHBondContact OG-CG2 3.46Å; S348-V352 WeakPolarHBondContact O-CG2 3.49Å; S348-V352 PolarHBondContact O-N 3.25Å; S348-V352 VanDerWaalsContact O-N 3.09Å
349	E	89.6	Confident	85.9	Confident	44 Å²	44	44.5 Å²	44.5	21%	0.206	24%	0.24	C	C	.	.	H	α-helix	trans	-57	-35.3	178.5	-176	175.6	163.8	0	0	112.5	V180 T181 R330 V351 V352 T353	V180-E349 HydrophobicContact CB-CG 4.24Å; V180-E349 HydrophobicContact CG1-CG 4.11Å; T181-E349 VanDerWaalsContact CB-OE1 3.31Å; T181-E349 WeakPolarHBondContact CB-OE1 3.3Å; T181-E349 PolarHBondContact N-OE1 2.8Å; T181-E349 PolarHBondContact OG1-OE1 3Å; R330-E349 HydrophobicContact CG-CB 4.12Å; R330-E349 HydrophobicContact CG-CG 4.5Å; E349-V351 VanDerWaalsContact C-N 3.31Å; E349-V351 PolarHBondContact O-N 3.34Å; E349-V352 PolarHBondContact O-N 3.11Å; E349-T353 HydrophobicContact CG-CG2 3.96Å; E349-T353 WeakPolarHBondContact O-CB 3.4Å; E349-T353 WeakPolarHBondContact O-CG2 3.48Å; E349-T353 PolarHBondContact O-N 3.19Å; E349-T353 PolarHBondContact O-OG1 3.41Å
350	D	87.5	Confident	84.5	Confident	73 Å²	73	43 Å²	43	39%	0.39	24%	0.238	S	C	.	.	H	α-helix	trans	-65.4	-32.9	179.6	-67.4	-39.1	0	0	0	113.4	S348 L354 R355 V356	S348-D350 PolarHBondContact O-N 3.35Å; D350-L354 PolarHBondContact O-N 3.24Å; D350-R355 HydrophobicContact CB-CB 4.3Å; D350-R355 WeakPolarHBondContact O-CB 3.29Å; D350-R355 PolarHBondContact O-N 3.23Å; D350-R355 IonicContact OD1-NH1 3.18Å; D350-V356 HydrophobicContact CB-CB 4.41Å; D350-V356 HydrophobicContact CB-CG2 4.04Å; D350-V356 PolarHBondContact O-N 2.95Å
351	V	86.1	Confident	83.5	Confident	17 Å²	17	43.5 Å²	43.5	10%	0.103	24%	0.239	C	C	.	.	H	α-helix	trans	-75.2	-42.2	173.5	175.1	0	0	0	0	109.7	T347 S348 E349 T353 L354 Q361	T347-V351 HydrophobicContact CG2-CB 3.9Å; T347-V351 HydrophobicContact CG2-CG1 3.85Å; S348-V351 PolarHBondContact O-N 2.87Å; S348-V351 VanDerWaalsContact O-N 3.14Å; S348-V351 WeakPolarHBondContact OG-CG2 3.46Å; E349-V351 VanDerWaalsContact C-N 3.31Å; E349-V351 PolarHBondContact O-N 3.34Å; V351-T353 VanDerWaalsContact C-N 3.3Å; V351-T353 PolarHBondContact O-N 3.12Å; V351-L354 PolarHBondContact O-N 2.83Å; V351-L354 VanDerWaalsContact O-N 3.1Å; V351-Q361 HydrophobicContact CG2-CB 4.11Å; V351-Q361 HydrophobicContact CG2-CG 3.82Å
352	V	85.2	Confident	82.9	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.036	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-37.5	178.6	174.5	0	0	0	0	112.5	V180 V234 R330 W332 T347 S348 E349 L354	V180-V352 HydrophobicContact CG1-CG1 4.29Å; V234-V352 HydrophobicContact CG1-CG1 3.24Å; R330-V352 HydrophobicContact CB-CB 4.27Å; R330-V352 HydrophobicContact CB-CG1 4.35Å; R330-V352 HydrophobicContact CB-CG2 3.76Å; W332-V352 HydrophobicContact CB-CG2 3.93Å; W332-V352 HydrophobicContact CD2-CG2 4.4Å; W332-V352 VanDerWaalsContact CE3-CA 3.45Å; W332-V352 HydrophobicContact CE3-CB 4.04Å; W332-V352 HydrophobicContact CE3-CG1 4.03Å; W332-V352 HydrophobicContact CE3-CG2 4.02Å; W332-V352 HydrophobicContact CG-CG2 4.44Å; W332-V352 HydrophobicContact CZ3-CG1 4.46Å; W332-V352 WeakPolarHBondContact CZ3-O 3.22Å; T347-V352 HydrophobicContact CG2-CG2 3.49Å; T347-V352 VanDerWaalsContact CG2-CG2 3.49Å; S348-V352 WeakPolarHBondContact O-CG2 3.49Å; S348-V352 PolarHBondContact O-N 3.25Å; S348-V352 VanDerWaalsContact O-N 3.09Å; E349-V352 PolarHBondContact O-N 3.11Å; V352-L354 VanDerWaalsContact C-N 3.26Å; V352-L354 PolarHBondContact O-N 3.32Å
353	T	84.7	Confident	82.6	Confident	8 Å²	8	45.4 Å²	45.4	5%	0.049	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	6.6	179.1	57.3	0	0	0	0	112.4	V180 T181 N183 E349 V351 R355	V180-T353 HydrophobicContact CB-CG2 3.91Å; V180-T353 HydrophobicContact CG2-CG2 4.08Å; T181-T353 VanDerWaalsContact O-CG2 3.3Å; T181-T353 WeakPolarHBondContact O-CG2 3.3Å; N183-T353 VanDerWaalsContact CB-O 3.29Å; N183-T353 WeakPolarHBondContact CB-O 3.25Å; N183-T353 PolarHBondContact ND2-O 3.32Å; E349-T353 HydrophobicContact CG-CG2 3.96Å; E349-T353 WeakPolarHBondContact O-CB 3.4Å; E349-T353 WeakPolarHBondContact O-CG2 3.48Å; E349-T353 PolarHBondContact O-N 3.19Å; E349-T353 PolarHBondContact O-OG1 3.41Å; V351-T353 VanDerWaalsContact C-N 3.3Å; V351-T353 PolarHBondContact O-N 3.12Å; T353-R355 PolarHBondContact O-N 3.39Å; T353-R355 VanDerWaalsContact O-N 3.16Å; T353-R355 WeakPolarHBondContact OG1-CD 3.37Å; T353-R355 WeakPolarHBondContact OG1-CG 3.26Å
354	L	82.6	Confident	82.5	Confident	76 Å²	76	46.6 Å²	46.6	40%	0.398	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	25.3	-177.9	-63.6	171	0	0	0	113.9	W332 D350 V351 V352 V356	W332-L354 HydrophobicContact CH2-CD2 3.55Å; W332-L354 HydrophobicContact CH2-CG 3.9Å; W332-L354 HydrophobicContact CZ2-CD2 4.05Å; D350-L354 PolarHBondContact O-N 3.24Å; V351-L354 PolarHBondContact O-N 2.83Å; V351-L354 VanDerWaalsContact O-N 3.1Å; V352-L354 VanDerWaalsContact C-N 3.26Å; V352-L354 PolarHBondContact O-N 3.32Å; L354-V356 VanDerWaalsContact C-N 3.33Å
355	R	81.6	Confident	82.5	Confident	95 Å²	95	46.6 Å²	46.6	36%	0.358	26%	0.26	S	S	.	.	S	Bend	trans	-71.4	-35.3	171.3	-68.7	174.7	-179.7	172.9	1.2	110.7	T181 N183 D350 T353	T181-R355 VanDerWaalsContact CB-NH2 3.33Å; T181-R355 VanDerWaalsContact CG2-NH2 3.27Å; N183-R355 HydrophobicContact CB-CG 4.41Å; N183-R355 WeakPolarHBondContact ND2-CG 3.42Å; D350-R355 HydrophobicContact CB-CB 4.3Å; D350-R355 WeakPolarHBondContact O-CB 3.29Å; D350-R355 PolarHBondContact O-N 3.23Å; D350-R355 IonicContact OD1-NH1 3.18Å; T353-R355 PolarHBondContact O-N 3.39Å; T353-R355 VanDerWaalsContact O-N 3.16Å; T353-R355 WeakPolarHBondContact OG1-CD 3.37Å; T353-R355 WeakPolarHBondContact OG1-CG 3.26Å
356	V	80.3	Confident	82.6	Confident	54 Å²	54	45.5 Å²	45.5	33%	0.327	26%	0.255	S	S	.	.			trans	-120.6	128.9	175.3	177.1	0	0	0	0	109	D350 L354 D358	D350-V356 HydrophobicContact CB-CB 4.41Å; D350-V356 HydrophobicContact CB-CG2 4.04Å; D350-V356 PolarHBondContact O-N 2.95Å; L354-V356 VanDerWaalsContact C-N 3.33Å; V356-D358 HydrophobicContact CG1-CB 3.89Å
357	T	66.3	Low	82.7	Confident	128 Å²	128	46.3 Å²	46.3	79%	0.785	26%	0.26	S	S	*	.			trans	-93.8	-5.2	177.5	51.8	0	0	0	0	113.2	P359	T357-P359 VanDerWaalsContact O-CD 3.25Å; T357-P359 WeakPolarHBondContact O-CD 3.44Å
358	D	58.1	Low	82.9	Confident	81 Å²	81	46 Å²	46	43%	0.433	26%	0.258	S	S	.	.			trans	-76	115.3	-174.6	-170.4	1.9	0	0	0	111.9	V356 S360	V356-D358 HydrophobicContact CG1-CB 3.89Å; D358-S360 PolarHBondContact O-N 2.77Å; D358-S360 VanDerWaalsContact OD1-CB 3.3Å; D358-S360 WeakPolarHBondContact OD1-CB 3.46Å; D358-S360 PolarHBondContact OD1-N 3.3Å; D358-S360 PolarHBondContact OD1-OG 2.85Å; D358-S360 WeakPolarHBondContact OD2-CB 3.44Å; D358-S360 PolarHBondContact OD2-OG 3.22Å
359	P	56.3	Low	83.1	Confident	106 Å²	106	45.5 Å²	45.5	69%	0.688	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	2.1	177	32.2	-36.9	0	0	0	113.9	T357 Q361	T357-P359 VanDerWaalsContact O-CD 3.25Å; T357-P359 WeakPolarHBondContact O-CD 3.44Å; P359-Q361 PolarHBondContact O-N 3.22Å
360	S	62.2	Low	83.3	Confident	48 Å²	48	43.7 Å²	43.7	34%	0.336	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.8	179.3	71.6	0	0	0	0	114.3	D358	D358-S360 PolarHBondContact O-N 2.77Å; D358-S360 VanDerWaalsContact OD1-CB 3.3Å; D358-S360 WeakPolarHBondContact OD1-CB 3.46Å; D358-S360 PolarHBondContact OD1-N 3.3Å; D358-S360 PolarHBondContact OD1-OG 2.85Å; D358-S360 WeakPolarHBondContact OD2-CB 3.44Å; D358-S360 PolarHBondContact OD2-OG 3.22Å
361	Q	72.8	Confident	83.6	Confident	75 Å²	75	44 Å²	44	35%	0.35	25%	0.249	S	C	.	.	S	Bend	trans	-65.6	145.7	-179.5	-65.7	-64.2	-33.7	0	0	112.5	V351 P359 S363 N381	V351-Q361 HydrophobicContact CG2-CB 4.11Å; V351-Q361 HydrophobicContact CG2-CG 3.82Å; P359-Q361 PolarHBondContact O-N 3.22Å; Q361-S363 PolarHBondContact O-N 2.82Å; Q361-N381 PolarHBondContact O-ND2 3.19Å; Q361-N381 VanDerWaalsContact O-ND2 3.14Å
362	P	82.1	Confident	83.9	Confident	71 Å²	71	46 Å²	46	46%	0.461	26%	0.261	S	S	.	.			trans	-60.5	134.5	173.8	26.4	-32.7	0	0	0	109.8
363	S	90.7	Very high	84.4	Confident	7 Å²	7	45.8 Å²	45.8	5%	0.049	26%	0.26	C	S	.	.			trans	-136.9	151.5	174.9	44.1	0	0	0	0	110.2	Y346 Q361 N381	Y346-S363 CarbonylContact O-C 3.58Å; Y346-S363 VanDerWaalsContact O-CA 3.23Å; Y346-S363 WeakPolarHBondContact O-CA 3.29Å; Y346-S363 WeakPolarHBondContact O-CB 3.16Å; Q361-S363 PolarHBondContact O-N 2.82Å; S363-N381 PolarHBondContact O-N 2.85Å; S363-N381 VanDerWaalsContact OG-CB 3.29Å; S363-N381 WeakPolarHBondContact OG-CB 3.34Å; S363-N381 PolarHBondContact OG-ND2 2.88Å
364	F	94.8	Very high	84.9	Confident	27 Å²	27	50.8 Å²	50.8	12%	0.118	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.4	-178.9	-66.2	-91.7	0	0	0	109.6	L326 L329 K345 Y346 V378 F379 E380	L326-F364 HydrophobicContact CD2-CD2 4.46Å; L326-F364 HydrophobicContact CD2-CE1 4.37Å; L326-F364 HydrophobicContact CD2-CE2 3.71Å; L326-F364 HydrophobicContact CD2-CZ 3.66Å; L329-F364 HydrophobicContact CD1-CD2 3.46Å; L329-F364 VanDerWaalsContact CD1-CD2 3.46Å; L329-F364 HydrophobicContact CD1-CE2 3.84Å; L329-F364 HydrophobicContact CD1-CG 4.33Å; L329-F364 HydrophobicContact CD2-CD2 4.32Å; K345-F364 CarbonylContact C-O 3.59Å; K345-F364 WeakPolarHBondContact CA-O 3.37Å; Y346-F364 PolarHBondContact N-O 3.18Å; Y346-F364 PolarHBondContact O-N 3.29Å; F364-V378 HydrophobicContact CB-CG1 4.3Å; F364-V378 HydrophobicContact CD1-CG1 3.97Å; F364-F379 CarbonylContact C-O 3.58Å; F364-F379 VanDerWaalsContact CA-O 3.31Å; F364-F379 WeakPolarHBondContact CA-O 3.35Å; F364-E380 HydrophobicContact CD1-CG 4.02Å; F364-E380 HydrophobicContact CE1-CG 3.59Å; F364-E380 HydrophobicContact CZ-CG 4.39Å
365	F	96.5	Very high	85.5	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.1	172.7	-63.4	-81.5	0	0	0	108.5	F343 I344 K345 V378 F379 N381 L386 L446 L449	F343-F365 AromaticContact CE1-CD1 3.99Å; F343-F365 HydrophobicContact CE1-CD1 3.99Å; F343-F365 HydrophobicContact CE2-CB 3.61Å; F343-F365 HydrophobicContact CE2-CD1 4.25Å; F343-F365 HydrophobicContact CE2-CG 4.31Å; F343-F365 HydrophobicContact CZ-CB 3.71Å; F343-F365 AromaticContact CZ-CD1 3.59Å; F343-F365 HydrophobicContact CZ-CD1 3.59Å; F343-F365 HydrophobicContact CZ-CE1 4.46Å; F343-F365 AromaticContact CZ-CG 3.89Å; F343-F365 HydrophobicContact CZ-CG 3.89Å; I344-F365 CarbonylContact O-C 3.54Å; I344-F365 WeakPolarHBondContact O-CA 3.02Å; K345-F365 HydrophobicContact CB-CD1 4.2Å; K345-F365 HydrophobicContact CB-CE1 4.24Å; K345-F365 HydrophobicContact CD-CD1 4.46Å; K345-F365 HydrophobicContact CD-CE1 3.73Å; K345-F365 HydrophobicContact CD-CZ 4.16Å; K345-F365 HydrophobicContact CG-CD1 4.23Å; K345-F365 HydrophobicContact CG-CE1 3.98Å; F365-V378 CarbonylContact O-C 3.6Å; F365-V378 VanDerWaalsContact O-CA 3.3Å; F365-V378 WeakPolarHBondContact O-CA 3.36Å; F365-F379 HydrophobicContact CB-CB 4.29Å; F365-F379 PolarHBondContact N-O 2.76Å; F365-F379 PolarHBondContact O-N 3.2Å; F365-N381 HydrophobicContact CE2-CB 4.09Å; F365-L386 HydrophobicContact CB-CD2 3.88Å; F365-L386 HydrophobicContact CD2-CD2 3.51Å; F365-L386 HydrophobicContact CE2-CD2 4.12Å; F365-L386 HydrophobicContact CG-CD2 3.73Å; F365-L446 HydrophobicContact CE2-CB 4.15Å; F365-L446 HydrophobicContact CZ-CB 4.29Å; F365-L446 WeakPolarHBondContact CZ-O 3.4Å; F365-L449 HydrophobicContact CD1-CB 4.38Å; F365-L449 HydrophobicContact CE1-CB 3.67Å; F365-L449 WeakPolarHBondContact CE1-O 3.27Å; F365-L449 HydrophobicContact CZ-CB 4.17Å
366	V	97.4	Very high	86.2	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.7	-172.8	-178.2	0	0	0	0	108.6	L299 F343 I344 Y346 V375 A377 V378	L299-V366 HydrophobicContact CD1-CG1 4.27Å; L299-V366 HydrophobicContact CD1-CG2 3.64Å; L299-V366 HydrophobicContact CD2-CG2 4.29Å; F343-V366 WeakPolarHBondContact CA-O 3.48Å; I344-V366 PolarHBondContact N-O 2.83Å; I344-V366 PolarHBondContact O-N 3.21Å; Y346-V366 HydrophobicContact CD2-CB 4.18Å; Y346-V366 HydrophobicContact CD2-CG2 3.51Å; Y346-V366 HydrophobicContact CE2-CB 4.05Å; Y346-V366 HydrophobicContact CE2-CG2 3.74Å; V366-V375 HydrophobicContact CG1-CG1 3.79Å; V366-V375 HydrophobicContact CG1-CG2 4.28Å; V366-A377 WeakPolarHBondContact CA-O 3.34Å; V366-V378 HydrophobicContact CG1-CG2 4.35Å; V366-V378 HydrophobicContact CG2-CG1 4.24Å; V366-V378 HydrophobicContact CG2-CG2 4.24Å
367	V	97.3	Very high	87	Confident	20 Å²	20	45.6 Å²	45.6	12%	0.121	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.8	170.5	-176.5	0	0	0	0	107.9	L337 L342 F343 I376 A377 F379	L337-V367 HydrophobicContact CD1-CG1 4.27Å; L337-V367 HydrophobicContact CD1-CG2 4.47Å; L342-V367 CarbonylContact O-C 3.58Å; L342-V367 WeakPolarHBondContact O-CA 3.48Å; F343-V367 HydrophobicContact CD2-CG2 3.85Å; F343-V367 HydrophobicContact CE2-CG2 4.18Å; V367-I376 HydrophobicContact CB-CB 4.44Å; V367-I376 HydrophobicContact CG1-CB 4.27Å; V367-I376 HydrophobicContact CG1-CD1 4.42Å; V367-I376 PolarHBondContact O-N 3.19Å; V367-A377 HydrophobicContact CB-CB 4.19Å; V367-A377 HydrophobicContact CG2-CB 4.19Å; V367-A377 PolarHBondContact N-O 3.35Å; V367-F379 HydrophobicContact CG2-CE2 4.28Å
368	Y	97.5	Very high	88.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.8	-175.5	176.1	-102.5	0	0	0	110.6	I256 C260 L295 H341 L342 M370 T373 E374 V375	I256-Y368 HydrophobicContact CD1-CE1 4.17Å; I256-Y368 HydrophobicContact CG2-CD1 4.46Å; I256-Y368 HydrophobicContact CG2-CE1 3.75Å; C260-Y368 WeakPolarHBondContact CB-OH 3.22Å; C260-Y368 PolarHBondContact SG-OH 3.47Å; C260-Y368 VanDerWaalsContact SG-OH 3.37Å; L295-Y368 HydrophobicContact CD1-CD1 4.33Å; L295-Y368 HydrophobicContact CD1-CD2 3.67Å; L295-Y368 HydrophobicContact CD1-CE1 4.27Å; L295-Y368 HydrophobicContact CD1-CE2 3.59Å; L295-Y368 HydrophobicContact CD1-CG 4.03Å; H341-Y368 CarbonylContact C-O 3.42Å; H341-Y368 WeakPolarHBondContact CA-O 3.43Å; L342-Y368 HydrophobicContact CD1-CD1 4.24Å; L342-Y368 PolarHBondContact N-O 3.47Å; L342-Y368 PolarHBondContact O-N 2.79Å; Y368-M370 HydrophobicContact CD1-CG 4.19Å; Y368-M370 HydrophobicContact CE1-CG 4.25Å; Y368-T373 VanDerWaalsContact CE2-C 3.47Å; Y368-T373 WeakPolarHBondContact CE2-O 3.26Å; Y368-T373 WeakPolarHBondContact OH-CA 3.32Å; Y368-T373 WeakPolarHBondContact OH-CB 3.2Å; Y368-E374 WeakPolarHBondContact CD2-O 3.4Å; Y368-V375 HydrophobicContact CD2-CG2 4.06Å
369	N	96.5	Very high	90.2	Very high	18 Å²	18	36.6 Å²	36.6	10%	0.096	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	118	172.9	-172.8	-51.1	0	0	0	109.5	H341 V371 T372 T373 E374 I376	H341-N369 PolarHBondContact NE2-ND2 3.31Å; N369-V371 VanDerWaalsContact C-N 3.31Å; N369-V371 PolarHBondContact O-N 2.99Å; N369-V371 WeakPolarHBondContact OD1-CA 3.3Å; N369-V371 WeakPolarHBondContact OD1-CB 3.34Å; N369-V371 PolarHBondContact OD1-N 3.33Å; N369-T372 WeakPolarHBondContact CB-OG1 3.37Å; N369-T372 VanDerWaalsContact CG-OG1 3.31Å; N369-T372 PolarHBondContact OD1-N 3.33Å; N369-T372 PolarHBondContact OD1-OG1 3.23Å; N369-T373 CarbonylContact O-C 3.53Å; N369-T373 WeakPolarHBondContact O-CA 3.41Å; N369-T373 PolarHBondContact O-N 2.97Å; N369-E374 PolarHBondContact N-O 2.84Å; N369-E374 PolarHBondContact O-N 3.03Å; N369-I376 HydrophobicContact CB-CD1 4.03Å; N369-I376 HydrophobicContact CB-CG1 4.37Å
370	M	93.7	Very high	91.9	Very high	7 Å²	7	35.5 Å²	35.5	3%	0.034	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-24.9	-177.7	-59.6	-174.6	-77.4	0	0	113.1	V241 R254 I256 L336 E339 N340 L342 Y368	V241-M370 HydrophobicContact CG1-SD 4.49Å; V241-M370 HydrophobicContact CG2-SD 3.86Å; R254-M370 PolarHBondContact NH1-O 3.24Å; I256-M370 HydrophobicContact CD1-CB 4.14Å; I256-M370 HydrophobicContact CD1-CG 3.62Å; I256-M370 HydrophobicContact CD1-SD 3.74Å; L336-M370 HydrophobicContact CD2-CE 3.58Å; L336-M370 HydrophobicContact CD2-SD 4.33Å; E339-M370 VanDerWaalsContact O-CE 3.28Å; E339-M370 WeakPolarHBondContact O-CE 3.38Å; N340-M370 WeakPolarHBondContact O-CB 3.42Å; N340-M370 WeakPolarHBondContact O-CG 3.42Å; N340-M370 PolarHBondContact O-N 2.91Å; L342-M370 HydrophobicContact CD1-CG 3.56Å; L342-M370 HydrophobicContact CD1-SD 3.48Å; L342-M370 WeakPolarHBondContact CD1-SD 3.42Å; L342-M370 HydrophobicContact CD2-SD 4.2Å; L342-M370 HydrophobicContact CG-CE 4.26Å; L342-M370 HydrophobicContact CG-CG 3.76Å; L342-M370 HydrophobicContact CG-SD 3.54Å; L342-M370 VanDerWaalsContact CG-SD 3.54Å; Y368-M370 HydrophobicContact CD1-CG 4.19Å; Y368-M370 HydrophobicContact CE1-CG 4.25Å
371	V	92.6	Very high	93.3	Very high	79 Å²	79	33.8 Å²	33.8	48%	0.479	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-50.9	-176.8	-179.8	0	0	0	0	110.8	N340 N369 T373	N340-V371 HydrophobicContact CB-CG2 4.22Å; N340-V371 WeakPolarHBondContact OD1-CG2 3.38Å; N369-V371 VanDerWaalsContact C-N 3.31Å; N369-V371 PolarHBondContact O-N 2.99Å; N369-V371 WeakPolarHBondContact OD1-CA 3.3Å; N369-V371 WeakPolarHBondContact OD1-CB 3.34Å; N369-V371 PolarHBondContact OD1-N 3.33Å; V371-T373 VanDerWaalsContact C-N 3.26Å
372	T	93.6	Very high	94.2	Very high	59 Å²	59	32 Å²	32	36%	0.362	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-12.2	177.8	66.5	0	0	0	0	112.3	Y261 N369 E374	Y261-T372 PolarHBondContact OH-O 2.97Å; N369-T372 WeakPolarHBondContact CB-OG1 3.37Å; N369-T372 VanDerWaalsContact CG-OG1 3.31Å; N369-T372 PolarHBondContact OD1-N 3.33Å; N369-T372 PolarHBondContact OD1-OG1 3.23Å; T372-E374 PolarHBondContact O-N 3.48Å; T372-E374 PolarHBondContact OG1-N 3.47Å
373	T	94.1	Very high	94.8	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	16%	0.161	C	C	.	.			trans	61	24.8	-173.1	72.8	0	0	0	0	114.1	C260 Y261 R298 Y368 N369 V371	C260-T373 HydrophobicContact CB-CG2 4Å; Y261-T373 HydrophobicContact CD1-CG2 3.57Å; Y261-T373 HydrophobicContact CD2-CG2 4.34Å; Y261-T373 HydrophobicContact CE1-CG2 3.28Å; Y261-T373 HydrophobicContact CE2-CG2 4.13Å; Y261-T373 WeakPolarHBondContact CE2-OG1 3.29Å; Y261-T373 HydrophobicContact CG-CG2 4.1Å; Y261-T373 PolarHBondContact OH-OG1 2.9Å; R298-T373 WeakPolarHBondContact CD-O 3.22Å; R298-T373 VanDerWaalsContact CZ-O 3.23Å; R298-T373 PolarHBondContact NE-O 3.02Å; R298-T373 PolarHBondContact NH1-O 2.95Å; R298-T373 PolarHBondContact NH1-OG1 3.33Å; R298-T373 VanDerWaalsContact NH1-OG1 3.09Å; R298-T373 PolarHBondContact NH2-OG1 3.33Å; Y368-T373 VanDerWaalsContact CE2-C 3.47Å; Y368-T373 WeakPolarHBondContact CE2-O 3.26Å; Y368-T373 WeakPolarHBondContact OH-CA 3.32Å; Y368-T373 WeakPolarHBondContact OH-CB 3.2Å; N369-T373 CarbonylContact O-C 3.53Å; N369-T373 WeakPolarHBondContact O-CA 3.41Å; N369-T373 PolarHBondContact O-N 2.97Å; V371-T373 VanDerWaalsContact C-N 3.26Å
374	E	95.1	Very high	94.9	Very high	114 Å²	114	33.3 Å²	33.3	53%	0.533	18%	0.181	S	C	.	.			trans	-101.4	143.8	-175.9	-64.5	-178	149	0	0	112.7	Y368 N369 T372	Y368-E374 WeakPolarHBondContact CD2-O 3.4Å; N369-E374 PolarHBondContact N-O 2.84Å; N369-E374 PolarHBondContact O-N 3.03Å; T372-E374 PolarHBondContact O-N 3.48Å; T372-E374 PolarHBondContact OG1-N 3.47Å
375	V	96.9	Very high	94.9	Very high	16 Å²	16	37.2 Å²	37.2	10%	0.097	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	116	166.1	176	0	0	0	0	107.7	R298 Y302 V366 Y368 V378	R298-V375 HydrophobicContact CB-CG2 4.09Å; Y302-V375 HydrophobicContact CD1-CG1 4.22Å; Y302-V375 HydrophobicContact CD2-CB 4.19Å; Y302-V375 HydrophobicContact CD2-CG1 3.91Å; Y302-V375 WeakPolarHBondContact CD2-O 3.34Å; Y302-V375 HydrophobicContact CE2-CG1 4.48Å; Y302-V375 WeakPolarHBondContact CE2-O 3.37Å; Y302-V375 HydrophobicContact CG-CB 4.25Å; Y302-V375 HydrophobicContact CG-CG1 3.76Å; V366-V375 HydrophobicContact CG1-CG1 3.79Å; V366-V375 HydrophobicContact CG1-CG2 4.28Å; Y368-V375 HydrophobicContact CD2-CG2 4.06Å; V375-V378 HydrophobicContact CG1-CG2 3.63Å
376	I	96.2	Very high	94.9	Very high	83 Å²	83	37.3 Å²	37.3	43%	0.426	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-47.6	-177	-61.2	179.5	0	0	0	110.5	Y302 H341 V367 N369	Y302-I376 WeakPolarHBondContact CE2-O 3.45Å; Y302-I376 PolarHBondContact OH-O 3.25Å; H341-I376 WeakPolarHBondContact CD2-CD1 3.2Å; H341-I376 WeakPolarHBondContact NE2-CD1 3.44Å; V367-I376 HydrophobicContact CB-CB 4.44Å; V367-I376 HydrophobicContact CG1-CB 4.27Å; V367-I376 HydrophobicContact CG1-CD1 4.42Å; V367-I376 PolarHBondContact O-N 3.19Å; N369-I376 HydrophobicContact CB-CD1 4.03Å; N369-I376 HydrophobicContact CB-CG1 4.37Å
377	A	95.6	Very high	94.7	Very high	16 Å²	16	37.5 Å²	37.5	13%	0.132	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	145.1	-173.6	0	0	0	0	0	111.9	Y302 V366 V367 F379	Y302-A377 WeakPolarHBondContact OH-CA 3.49Å; V366-A377 WeakPolarHBondContact CA-O 3.34Å; V367-A377 HydrophobicContact CB-CB 4.19Å; V367-A377 HydrophobicContact CG2-CB 4.19Å; V367-A377 PolarHBondContact N-O 3.35Å; A377-F379 HydrophobicContact CB-CD2 4.4Å; A377-F379 HydrophobicContact CB-CE2 3.54Å; A377-F379 HydrophobicContact CB-CZ 3.7Å
378	V	96.4	Very high	94.5	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	124.7	172.8	-175.7	0	0	0	0	109.3	L299 Y302 L303 R306 F364 F365 V366 V375	L299-V378 HydrophobicContact CD1-CG1 4.14Å; L299-V378 HydrophobicContact CD1-CG2 3.54Å; Y302-V378 HydrophobicContact CD1-CB 4Å; Y302-V378 HydrophobicContact CD1-CG2 3.37Å; Y302-V378 HydrophobicContact CE1-CB 3.82Å; Y302-V378 HydrophobicContact CE1-CG2 3.6Å; Y302-V378 HydrophobicContact CG-CG2 4.19Å; L303-V378 HydrophobicContact CD2-CB 4.13Å; L303-V378 HydrophobicContact CD2-CG1 3.9Å; L303-V378 HydrophobicContact CD2-CG2 4.5Å; R306-V378 PolarHBondContact NH1-O 3.42Å; F364-V378 HydrophobicContact CB-CG1 4.3Å; F364-V378 HydrophobicContact CD1-CG1 3.97Å; F365-V378 CarbonylContact O-C 3.6Å; F365-V378 VanDerWaalsContact O-CA 3.3Å; F365-V378 WeakPolarHBondContact O-CA 3.36Å; V366-V378 HydrophobicContact CG1-CG2 4.35Å; V366-V378 HydrophobicContact CG2-CG1 4.24Å; V366-V378 HydrophobicContact CG2-CG2 4.24Å; V375-V378 HydrophobicContact CG1-CG2 3.63Å
379	F	95.6	Very high	94.3	Very high	18 Å²	18	45.5 Å²	45.5	8%	0.079	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.4	-179.4	-53.8	-80	0	0	0	110.6	F364 F365 V367 A377 E385 L386 L389	F364-F379 CarbonylContact C-O 3.58Å; F364-F379 VanDerWaalsContact CA-O 3.31Å; F364-F379 WeakPolarHBondContact CA-O 3.35Å; F365-F379 HydrophobicContact CB-CB 4.29Å; F365-F379 PolarHBondContact N-O 2.76Å; F365-F379 PolarHBondContact O-N 3.2Å; V367-F379 HydrophobicContact CG2-CE2 4.28Å; A377-F379 HydrophobicContact CB-CD2 4.4Å; A377-F379 HydrophobicContact CB-CE2 3.54Å; A377-F379 HydrophobicContact CB-CZ 3.7Å; F379-E385 HydrophobicContact CE1-CG 4.16Å; F379-L386 HydrophobicContact CB-CB 4.02Å; F379-L386 HydrophobicContact CB-CD2 3.8Å; F379-L386 HydrophobicContact CB-CG 4.45Å; F379-L386 HydrophobicContact CD1-CB 4.02Å; F379-L386 HydrophobicContact CD2-CB 4.37Å; F379-L386 HydrophobicContact CD2-CD1 4.08Å; F379-L386 HydrophobicContact CD2-CD2 4.23Å; F379-L386 HydrophobicContact CD2-CG 4.45Å; F379-L386 HydrophobicContact CE2-CD1 4.3Å; F379-L386 HydrophobicContact CG-CB 3.89Å; F379-L386 HydrophobicContact CG-CD1 4.45Å; F379-L386 HydrophobicContact CG-CD2 4.15Å; F379-L386 HydrophobicContact CG-CG 4.38Å; F379-L389 HydrophobicContact CZ-CD1 4.37Å
380	E	92.7	Very high	94	Very high	82 Å²	82	44.7 Å²	44.7	38%	0.383	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	158.6	168.7	-66.1	-179.4	170.4	0	0	110.3	F364 T382 S383	F364-E380 HydrophobicContact CD1-CG 4.02Å; F364-E380 HydrophobicContact CE1-CG 3.59Å; F364-E380 HydrophobicContact CZ-CG 4.39Å; E380-T382 PolarHBondContact O-N 3.37Å; E380-S383 WeakPolarHBondContact O-CB 3.23Å; E380-S383 PolarHBondContact O-N 2.84Å
381	N	91	Very high	93.9	Very high	13 Å²	13	46.3 Å²	46.3	7%	0.07	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-1.6	174.9	67.1	-19.9	0	0	0	115.1	Q361 S363 F365 R443	Q361-N381 PolarHBondContact O-ND2 3.19Å; Q361-N381 VanDerWaalsContact O-ND2 3.14Å; S363-N381 PolarHBondContact O-N 2.85Å; S363-N381 VanDerWaalsContact OG-CB 3.29Å; S363-N381 WeakPolarHBondContact OG-CB 3.34Å; S363-N381 PolarHBondContact OG-ND2 2.88Å; F365-N381 HydrophobicContact CE2-CB 4.09Å; N381-R443 VanDerWaalsContact O-CA 3.3Å; N381-R443 WeakPolarHBondContact O-CA 3.49Å
382	T	92.4	Very high	93.7	Very high	37 Å²	37	46.4 Å²	46.4	23%	0.227	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	16.5	173.2	54.3	0	0	0	0	112.4	E380 D384 T439	E380-T382 PolarHBondContact O-N 3.37Å; T382-D384 PolarHBondContact O-N 3.37Å; T382-T439 HydrophobicContact CG2-CG2 3.44Å; T382-T439 VanDerWaalsContact CG2-CG2 3.44Å
383	S	93.7	Very high	93.5	Very high	22 Å²	22	48.9 Å²	48.9	15%	0.154	25%	0.245	C	C	.	.			trans	-75.9	118.2	-178.8	177.7	0	0	0	0	112.2	E380 E385 L386 L387	E380-S383 WeakPolarHBondContact O-CB 3.23Å; E380-S383 PolarHBondContact O-N 2.84Å; S383-E385 VanDerWaalsContact C-N 3.33Å; S383-L386 PolarHBondContact OG-N 2.91Å; S383-L387 PolarHBondContact O-N 2.88Å
384	D	93.9	Very high	93.1	Very high	84 Å²	84	48.8 Å²	48.8	45%	0.449	25%	0.245	S	C	.	.	H	α-helix	trans	-67.9	-33.3	174.2	-65.1	-47.5	0	0	0	112.4	T382 L387 E388 H438 V442	T382-D384 PolarHBondContact O-N 3.37Å; D384-L387 WeakPolarHBondContact O-CB 3.25Å; D384-L387 PolarHBondContact O-N 3.06Å; D384-E388 PolarHBondContact O-N 2.92Å; D384-H438 IonicContact OD1-CD2 3.02Å; D384-H438 IonicContact OD1-NE2 2.73Å; D384-H438 PolarHBondContact OD1-NE2 2.77Å; D384-V442 VanDerWaalsContact OD1-CG2 3.23Å; D384-V442 WeakPolarHBondContact OD1-CG2 2.96Å
385	E	94.9	Very high	92.7	Very high	109 Å²	109	44.8 Å²	44.8	51%	0.509	23%	0.227	S	C	.	.	H	α-helix	trans	-61	-48.2	176.9	-175.4	-175.8	179.8	0	0	111.5	F379 S383 L387 E388 L389	F379-E385 HydrophobicContact CE1-CG 4.16Å; S383-E385 VanDerWaalsContact C-N 3.33Å; E385-L387 VanDerWaalsContact C-N 3.26Å; E385-L387 PolarHBondContact O-N 2.84Å; E385-E388 PolarHBondContact O-N 3.44Å; E385-L389 WeakPolarHBondContact O-CG 3.44Å; E385-L389 PolarHBondContact O-N 3.24Å
386	L	94.8	Very high	92.1	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-64.8	-34.5	176.5	-178.2	60.4	0	0	0	111.5	F343 F365 F379 S383 F390 F397 L446 L449	F343-L386 HydrophobicContact CZ-CD1 4.17Å; F343-L386 HydrophobicContact CZ-CD2 4.13Å; F365-L386 HydrophobicContact CB-CD2 3.88Å; F365-L386 HydrophobicContact CD2-CD2 3.51Å; F365-L386 HydrophobicContact CE2-CD2 4.12Å; F365-L386 HydrophobicContact CG-CD2 3.73Å; F379-L386 HydrophobicContact CB-CB 4.02Å; F379-L386 HydrophobicContact CB-CD2 3.8Å; F379-L386 HydrophobicContact CB-CG 4.45Å; F379-L386 HydrophobicContact CD1-CB 4.02Å; F379-L386 HydrophobicContact CD2-CB 4.37Å; F379-L386 HydrophobicContact CD2-CD1 4.08Å; F379-L386 HydrophobicContact CD2-CD2 4.23Å; F379-L386 HydrophobicContact CD2-CG 4.45Å; F379-L386 HydrophobicContact CE2-CD1 4.3Å; F379-L386 HydrophobicContact CG-CB 3.89Å; F379-L386 HydrophobicContact CG-CD1 4.45Å; F379-L386 HydrophobicContact CG-CD2 4.15Å; F379-L386 HydrophobicContact CG-CG 4.38Å; S383-L386 PolarHBondContact OG-N 2.91Å; L386-F390 VanDerWaalsContact O-CB 3.3Å; L386-F390 WeakPolarHBondContact O-CB 3.25Å; L386-F390 PolarHBondContact O-N 2.88Å; L386-F397 HydrophobicContact CD1-CZ 4.45Å; L386-L446 HydrophobicContact CB-CD1 4.34Å; L386-L446 HydrophobicContact CB-CD2 4.35Å; L386-L446 HydrophobicContact CD2-CD1 4.21Å; L386-L446 HydrophobicContact CD2-CD2 4.1Å; L386-L446 HydrophobicContact CG-CD1 4.4Å; L386-L446 HydrophobicContact CG-CD2 3.83Å; L386-L449 HydrophobicContact CD2-CD1 4.41Å; L386-L449 HydrophobicContact CG-CD1 4.44Å
387	L	93.6	Very high	91.7	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-66	-42.9	175.5	179.2	64.1	0	0	0	111.7	S383 D384 E385 F390 E391 V442 L445 L446	S383-L387 PolarHBondContact O-N 2.88Å; D384-L387 WeakPolarHBondContact O-CB 3.25Å; D384-L387 PolarHBondContact O-N 3.06Å; E385-L387 VanDerWaalsContact C-N 3.26Å; E385-L387 PolarHBondContact O-N 2.84Å; L387-F390 PolarHBondContact O-N 3.28Å; L387-E391 HydrophobicContact CD1-CG 4.07Å; L387-E391 HydrophobicContact CG-CG 4.33Å; L387-E391 WeakPolarHBondContact O-CB 3.37Å; L387-E391 WeakPolarHBondContact O-CG 3.48Å; L387-E391 PolarHBondContact O-N 2.64Å; L387-V442 HydrophobicContact CB-CG1 4.29Å; L387-V442 HydrophobicContact CD2-CB 4.18Å; L387-V442 HydrophobicContact CD2-CG1 4.26Å; L387-V442 HydrophobicContact CD2-CG2 3.64Å; L387-L445 HydrophobicContact CD1-CB 3.68Å; L387-L445 HydrophobicContact CD1-CD1 3.77Å; L387-L445 HydrophobicContact CD1-CG 4.37Å; L387-L445 HydrophobicContact CD2-CD1 4.28Å; L387-L446 HydrophobicContact CB-CD2 4.25Å; L387-L446 HydrophobicContact CB-CG 4.49Å; L387-L446 HydrophobicContact CD1-CD2 4.35Å
388	E	93.3	Very high	91.1	Very high	123 Å²	123	46.8 Å²	46.8	58%	0.575	23%	0.231	S	C	*	.	H	α-helix	trans	-61.7	-45.2	176.2	-176.6	175.6	-174	0	0	111.1	D384 E385 F390 E391 N392	D384-E388 PolarHBondContact O-N 2.92Å; E385-E388 PolarHBondContact O-N 3.44Å; E388-F390 VanDerWaalsContact C-N 3.31Å; E388-F390 PolarHBondContact O-N 3.41Å; E388-E391 PolarHBondContact O-N 3.37Å; E388-N392 WeakPolarHBondContact CG-ND2 3.36Å; E388-N392 WeakPolarHBondContact O-CB 3.34Å; E388-N392 PolarHBondContact O-N 3.36Å; E388-N392 PolarHBondContact O-ND2 2.94Å
389	L	92.9	Very high	89.9	Confident	66 Å²	66	47.3 Å²	47.3	35%	0.346	23%	0.234	S	C	.	.	H	α-helix	trans	-58.6	-44.6	174	-70.5	174.6	0	0	0	111.3	F379 E385 F393	F379-L389 HydrophobicContact CZ-CD1 4.37Å; E385-L389 WeakPolarHBondContact O-CG 3.44Å; E385-L389 PolarHBondContact O-N 3.24Å; L389-F393 HydrophobicContact CD2-CD2 4.23Å; L389-F393 HydrophobicContact CD2-CE2 4.35Å; L389-F393 WeakPolarHBondContact O-CA 3.37Å; L389-F393 WeakPolarHBondContact O-CB 3.4Å; L389-F393 PolarHBondContact O-N 2.96Å
390	F	91.6	Very high	88.2	Confident	1 Å²	1	46.6 Å²	46.6	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-67.7	-40.6	179.5	-179.7	-118.5	0	0	0	113.1	L386 L387 E388 C394 F397 L449 I451	L386-F390 VanDerWaalsContact O-CB 3.3Å; L386-F390 WeakPolarHBondContact O-CB 3.25Å; L386-F390 PolarHBondContact O-N 2.88Å; L387-F390 PolarHBondContact O-N 3.28Å; E388-F390 VanDerWaalsContact C-N 3.31Å; E388-F390 PolarHBondContact O-N 3.41Å; F390-C394 VanDerWaalsContact O-CA 3.22Å; F390-C394 WeakPolarHBondContact O-CA 3.44Å; F390-C394 WeakPolarHBondContact O-CB 3.43Å; F390-C394 PolarHBondContact O-N 3.1Å; F390-C394 VanDerWaalsContact O-N 3.08Å; F390-F397 HydrophobicContact CD2-CB 4.44Å; F390-F397 AromaticContact CD2-CD2 3.92Å; F390-F397 HydrophobicContact CD2-CD2 3.92Å; F390-F397 HydrophobicContact CD2-CE2 4.35Å; F390-F397 HydrophobicContact CD2-CG 4.14Å; F390-F397 HydrophobicContact CE2-CB 4.39Å; F390-L449 HydrophobicContact CB-CD1 4.48Å; F390-L449 HydrophobicContact CD2-CD1 4.18Å; F390-L449 HydrophobicContact CD2-CD2 3.92Å; F390-L449 HydrophobicContact CD2-CG 4.35Å; F390-L449 HydrophobicContact CE2-CD2 3.78Å; F390-L449 HydrophobicContact CE2-CG 4.42Å; F390-L449 HydrophobicContact CG-CD1 4.29Å; F390-L449 HydrophobicContact CZ-CD2 4.47Å; F390-I451 HydrophobicContact CE2-CD1 4.15Å
391	E	90.3	Very high	86.6	Confident	41 Å²	41	43.8 Å²	43.8	19%	0.192	22%	0.22	C	C	.	.	H	α-helix	trans	-67.4	-39.6	178.7	-76.9	-178	171.8	0	0	111.8	L387 E388 K427	L387-E391 HydrophobicContact CD1-CG 4.07Å; L387-E391 HydrophobicContact CG-CG 4.33Å; L387-E391 WeakPolarHBondContact O-CB 3.37Å; L387-E391 WeakPolarHBondContact O-CG 3.48Å; L387-E391 PolarHBondContact O-N 2.64Å; E388-E391 PolarHBondContact O-N 3.37Å; E391-K427 IonicContact OE1-NZ 3.7Å; E391-K427 PolarHBondContact OE1-NZ 3.02Å; E391-K427 IonicContact OE2-NZ 2.91Å; E391-K427 PolarHBondContact OE2-NZ 3.23Å
392	N	89.1	Confident	85	Confident	81 Å²	81	45.6 Å²	45.6	43%	0.433	23%	0.229	S	C	.	.	H	α-helix	trans	-86	-31.3	-176.2	-69.5	-35.1	0	0	0	113.5	E388 S414	E388-N392 WeakPolarHBondContact CG-ND2 3.36Å; E388-N392 WeakPolarHBondContact O-CB 3.34Å; E388-N392 PolarHBondContact O-N 3.36Å; E388-N392 PolarHBondContact O-ND2 2.94Å; N392-S414 WeakPolarHBondContact O-CB 3.48Å
393	F	88.3	Confident	83.3	Confident	110 Å²	110	47.7 Å²	47.7	48%	0.482	24%	0.236	S	C	.	.	S	Bend	trans	-124.4	31.7	-174.5	-54.7	-78.3	0	0	0	113.1	L389 D395 L396	L389-F393 HydrophobicContact CD2-CD2 4.23Å; L389-F393 HydrophobicContact CD2-CE2 4.35Å; L389-F393 WeakPolarHBondContact O-CA 3.37Å; L389-F393 WeakPolarHBondContact O-CB 3.4Å; L389-F393 PolarHBondContact O-N 2.96Å; F393-D395 PolarHBondContact O-N 3.25Å; F393-D395 VanDerWaalsContact O-N 3.09Å; F393-L396 HydrophobicContact CB-CD1 4.04Å; F393-L396 HydrophobicContact CB-CG 4.34Å; F393-L396 HydrophobicContact CD1-CD1 4.31Å; F393-L396 HydrophobicContact CG-CD1 4.46Å; F393-L396 WeakPolarHBondContact O-CB 3.35Å; F393-L396 PolarHBondContact O-N 3.45Å
394	C	87.7	Confident	81.7	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-50	-37.5	-178.3	-166	0	0	0	0	113.6	F390 L396 F397 R398 S414	F390-C394 VanDerWaalsContact O-CA 3.22Å; F390-C394 WeakPolarHBondContact O-CA 3.44Å; F390-C394 WeakPolarHBondContact O-CB 3.43Å; F390-C394 PolarHBondContact O-N 3.1Å; F390-C394 VanDerWaalsContact O-N 3.08Å; C394-L396 VanDerWaalsContact C-N 3.26Å; C394-L396 PolarHBondContact O-N 3.17Å; C394-F397 WeakPolarHBondContact O-CB 3.47Å; C394-F397 PolarHBondContact O-N 2.66Å; C394-R398 PolarHBondContact O-N 2.9Å; C394-R398 PolarHBondContact SG-NE 3.24Å; C394-S414 WeakPolarHBondContact CB-OG 3.23Å; C394-S414 PolarHBondContact N-OG 2.71Å
395	D	84.9	Confident	80	Confident	30 Å²	30	50.9 Å²	50.9	16%	0.16	25%	0.247	C	C	.	.	H	α-helix	trans	-59.5	-36.8	178.4	-64.3	-46.5	0	0	0	112.4	F393 F397 R398 N399 L402 P410 S412 S414 S415	F393-D395 PolarHBondContact O-N 3.25Å; F393-D395 VanDerWaalsContact O-N 3.09Å; D395-F397 PolarHBondContact O-N 2.92Å; D395-R398 CarbonylContact O-C 3.58Å; D395-R398 WeakPolarHBondContact O-CA 3.46Å; D395-R398 PolarHBondContact O-N 2.97Å; D395-N399 PolarHBondContact O-N 3.32Å; D395-N399 PolarHBondContact O-OD1 2.89Å; D395-L402 HydrophobicContact CB-CD1 4.4Å; D395-P410 WeakPolarHBondContact OD1-CG 3.39Å; D395-S412 WeakPolarHBondContact OD1-CB 3.26Å; D395-S412 PolarHBondContact OD1-OG 2.98Å; D395-S412 PolarHBondContact OD2-OG 3Å; D395-S414 PolarHBondContact N-OG 3.33Å; D395-S414 VanDerWaalsContact N-OG 3.13Å; D395-S414 PolarHBondContact OD2-OG 3.08Å; D395-S415 WeakPolarHBondContact OD2-CB 3.33Å
396	L	85.2	Confident	77.9	Confident	95 Å²	95	46.7 Å²	46.7	50%	0.497	23%	0.231	S	C	.	.	H	α-helix	trans	-63.6	-27.5	176.6	-61.7	-177.3	0	0	0	112.5	F393 C394 N399	F393-L396 HydrophobicContact CB-CD1 4.04Å; F393-L396 HydrophobicContact CB-CG 4.34Å; F393-L396 HydrophobicContact CD1-CD1 4.31Å; F393-L396 HydrophobicContact CG-CD1 4.46Å; F393-L396 WeakPolarHBondContact O-CB 3.35Å; F393-L396 PolarHBondContact O-N 3.45Å; C394-L396 VanDerWaalsContact C-N 3.26Å; C394-L396 PolarHBondContact O-N 3.17Å; L396-N399 WeakPolarHBondContact CA-OD1 3.48Å; L396-N399 WeakPolarHBondContact O-CB 3.42Å; L396-N399 PolarHBondContact O-ND2 3.3Å; L396-N399 PolarHBondContact O-OD1 2.63Å
397	F	86.8	Confident	76.2	Confident	20 Å²	20	47.2 Å²	47.2	9%	0.088	23%	0.234	C	C	.	.	H	α-helix	trans	-84.1	-13.7	172	-64.8	-91.4	0	0	0	112.7	Q335 L337 F343 L386 F390 C394 D395 L449 I451	Q335-F397 PolarHBondContact NE2-O 2.83Å; L337-F397 HydrophobicContact CD2-CD1 3.85Å; L337-F397 HydrophobicContact CD2-CE1 3.96Å; F343-F397 HydrophobicContact CD1-CE1 4.37Å; F343-F397 HydrophobicContact CE1-CD1 4.38Å; F343-F397 HydrophobicContact CE1-CE1 4.03Å; F343-F397 HydrophobicContact CZ-CE1 4.31Å; L386-F397 HydrophobicContact CD1-CZ 4.45Å; F390-F397 HydrophobicContact CD2-CB 4.44Å; F390-F397 AromaticContact CD2-CD2 3.92Å; F390-F397 HydrophobicContact CD2-CD2 3.92Å; F390-F397 HydrophobicContact CD2-CE2 4.35Å; F390-F397 HydrophobicContact CD2-CG 4.14Å; F390-F397 HydrophobicContact CE2-CB 4.39Å; C394-F397 WeakPolarHBondContact O-CB 3.47Å; C394-F397 PolarHBondContact O-N 2.66Å; D395-F397 PolarHBondContact O-N 2.92Å; F397-L449 HydrophobicContact CB-CD2 4.4Å; F397-L449 HydrophobicContact CD1-CD2 3.88Å; F397-L449 HydrophobicContact CE1-CD1 4.4Å; F397-L449 HydrophobicContact CE1-CD2 4.47Å; F397-L449 HydrophobicContact CG-CD2 4.28Å; F397-I451 HydrophobicContact CB-CD1 3.91Å
398	R	83.7	Confident	74.6	Confident	42 Å²	42	49.5 Å²	49.5	16%	0.158	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	13.7	177.3	-62.3	-177.3	-175	-179.8	2.4	112.6	C394 D395 A400 C411 I451 Y456	C394-R398 PolarHBondContact O-N 2.9Å; C394-R398 PolarHBondContact SG-NE 3.24Å; D395-R398 CarbonylContact O-C 3.58Å; D395-R398 WeakPolarHBondContact O-CA 3.46Å; D395-R398 PolarHBondContact O-N 2.97Å; R398-A400 PolarHBondContact O-N 3.33Å; R398-C411 PolarHBondContact NH1-O 3.23Å; R398-I451 HydrophobicContact CG-CD1 3.76Å; R398-Y456 HydrophobicContact CB-CD2 4.46Å; R398-Y456 HydrophobicContact CB-CE2 4.5Å; R398-Y456 HydrophobicContact CG-CD2 4.11Å; R398-Y456 HydrophobicContact CG-CE2 3.72Å; R398-Y456 PolarHBondContact NE-OH 3.29Å
399	N	70.5	Confident	73.2	Confident	13 Å²	13	48.5 Å²	48.5	7%	0.07	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-56	-13.3	-169.3	-87.2	-4.1	0	0	0	117.4	Y225 L337 D395 L396 T401 L402	Y225-N399 HydrophobicContact CD2-CB 4.38Å; Y225-N399 HydrophobicContact CE2-CB 3.94Å; L337-N399 PolarHBondContact O-ND2 3.3Å; D395-N399 PolarHBondContact O-N 3.32Å; D395-N399 PolarHBondContact O-OD1 2.89Å; L396-N399 WeakPolarHBondContact CA-OD1 3.48Å; L396-N399 WeakPolarHBondContact O-CB 3.42Å; L396-N399 PolarHBondContact O-ND2 3.3Å; L396-N399 PolarHBondContact O-OD1 2.63Å; N399-T401 PolarHBondContact O-N 3.14Å; N399-L402 PolarHBondContact O-N 3.28Å; N399-L402 VanDerWaalsContact O-N 3.09Å; N399-L402 WeakPolarHBondContact OD1-CD1 3.41Å
400	A	61.8	Low	72.1	Confident	4 Å²	4	47 Å²	47	3%	0.033	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-55.1	-18.9	-172.2	0	0	0	0	0	115.7	Y223 R398 A453 Q454	Y223-A400 HydrophobicContact CE1-CB 4.28Å; R398-A400 PolarHBondContact O-N 3.33Å; A400-A453 HydrophobicContact CB-CB 4.2Å; A400-Q454 HydrophobicContact CB-CG 4.13Å
401	T	58.8	Low	71.4	Confident	22 Å²	22	47.6 Å²	47.6	14%	0.135	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-129.5	5.8	176.6	61.2	0	0	0	0	113.8	N399 H403 S404 V407 Q454	N399-T401 PolarHBondContact O-N 3.14Å; T401-H403 PolarHBondContact O-N 3.48Å; T401-S404 PolarHBondContact O-N 3.29Å; T401-V407 WeakPolarHBondContact OG1-CG1 3.42Å; T401-Q454 HydrophobicContact CG2-CB 4.24Å; T401-Q454 HydrophobicContact CG2-CG 3.78Å
402	L	56.4	Low	71.1	Confident	51 Å²	51	45.7 Å²	45.7	27%	0.267	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-20	-175.5	-83.2	-172.7	0	0	0	113.8	D395 N399 P410	D395-L402 HydrophobicContact CB-CD1 4.4Å; N399-L402 PolarHBondContact O-N 3.28Å; N399-L402 VanDerWaalsContact O-N 3.09Å; N399-L402 WeakPolarHBondContact OD1-CD1 3.41Å; L402-P410 VanDerWaalsContact CD2-CD 3.4Å; L402-P410 HydrophobicContact CD2-CG 3.56Å
403	H	57.4	Low	70.9	Confident	81 Å²	81	42 Å²	42	38%	0.375	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-17.2	-178.6	-58.2	-61.7	0	0	0	113.1	Y225 T401	Y225-H403 AromaticContact CE2-CD2 3.57Å; Y225-H403 AromaticContact CE2-NE2 3.13Å; Y225-H403 WeakPolarHBondContact CE2-NE2 3.46Å; Y225-H403 AromaticContact CZ-CD2 3.88Å; Y225-H403 AromaticContact CZ-NE2 3.22Å; Y225-H403 PolarHBondContact OH-CE1 2.86Å; Y225-H403 PolarHBondContact OH-NE2 3.42Å; T401-H403 PolarHBondContact O-N 3.48Å
404	S	59.6	Low	70.7	Confident	9 Å²	9	37.6 Å²	37.6	6%	0.063	19%	0.192	C	C	.	.	S	Bend	trans	-76.5	126.1	173.8	-172.8	0	0	0	0	109.5	T401 A406 V407	T401-S404 PolarHBondContact O-N 3.29Å; S404-A406 PolarHBondContact O-N 3.02Å; S404-A406 WeakPolarHBondContact OG-CB 3.11Å; S404-V407 PolarHBondContact O-N 2.83Å
405	E	57.6	Low	70.5	Confident	164 Å²	164	40.8 Å²	40.8	77%	0.766	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-56.4	-23.7	174.2	-64.7	-170.2	162.7	0	0	112.3	V407 Q408	E405-V407 PolarHBondContact O-N 3.45Å; E405-Q408 VanDerWaalsContact O-CG 3.3Å; E405-Q408 WeakPolarHBondContact O-CG 3.41Å
406	A	52.3	Low	70.6	Confident	21 Å²	21	39.8 Å²	39.8	17%	0.174	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-69	-27.4	178.7	0	0	0	0	0	113.9	P67 S404 F526	P67-A406 HydrophobicContact CB-CB 4.31Å; P67-A406 WeakPolarHBondContact O-CB 3.26Å; S404-A406 PolarHBondContact O-N 3.02Å; S404-A406 WeakPolarHBondContact OG-CB 3.11Å; A406-F526 HydrophobicContact CB-CE2 4.34Å; A406-F526 HydrophobicContact CB-CZ 3.66Å; A406-F526 VanDerWaalsContact O-CE1 3.22Å; A406-F526 WeakPolarHBondContact O-CE1 3.33Å; A406-F526 WeakPolarHBondContact O-CZ 3.37Å
407	V	59.4	Low	70.8	Confident	13 Å²	13	40.2 Å²	40.2	8%	0.079	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-118.6	38.6	-174.6	-167.9	0	0	0	0	110.9	P67 T401 S404 E405 F409	P67-V407 HydrophobicContact CB-CG2 4.41Å; T401-V407 WeakPolarHBondContact OG1-CG1 3.42Å; S404-V407 PolarHBondContact O-N 2.83Å; E405-V407 PolarHBondContact O-N 3.45Å; V407-F409 PolarHBondContact O-N 3.5Å
408	Q	58.4	Low	70.9	Confident	52 Å²	52	42.4 Å²	42.4	24%	0.243	22%	0.221	C	C	.	.			trans	-72.1	124.2	177.9	-71.4	177.4	5.6	0	0	110.5	W36 R40 E405	W36-Q408 VanDerWaalsContact CH2-OE1 3.27Å; R40-Q408 PolarHBondContact NH2-O 3.45Å; E405-Q408 VanDerWaalsContact O-CG 3.3Å; E405-Q408 WeakPolarHBondContact O-CG 3.41Å
409	F	64.8	Low	71.2	Confident	103 Å²	103	41 Å²	41	45%	0.452	22%	0.219	S	C	.	.	S	Bend	trans	80.3	74.3	179.2	-44.7	-74.4	0	0	0	116.1	W36 R40 V407	W36-F409 HydrophobicContact CB-CD2 4.07Å; W36-F409 HydrophobicContact CB-CE2 3.44Å; W36-F409 VanDerWaalsContact CB-CE2 3.44Å; W36-F409 HydrophobicContact CB-CZ 4Å; W36-F409 AromaticContact CD1-CE2 3.43Å; W36-F409 VanDerWaalsContact CD1-CE2 3.43Å; W36-F409 AromaticContact CD1-CZ 3.39Å; W36-F409 AromaticContact CD2-CE2 3.81Å; W36-F409 HydrophobicContact CD2-CE2 3.81Å; W36-F409 HydrophobicContact CG-CD2 4.29Å; W36-F409 AromaticContact CG-CE2 3.28Å; W36-F409 HydrophobicContact CG-CE2 3.28Å; W36-F409 AromaticContact CG-CZ 3.74Å; W36-F409 HydrophobicContact CG-CZ 3.74Å; W36-F409 AromaticContact NE1-CE2 3.98Å; W36-F409 AromaticContact NE1-CZ 3.99Å; R40-F409 PolarHBondContact NH1-O 3.45Å; R40-F409 PolarHBondContact NH2-O 2.95Å; R40-F409 VanDerWaalsContact NH2-O 3.11Å; V407-F409 PolarHBondContact O-N 3.5Å
410	P	69.2	Low	72.2	Confident	35 Å²	35	44.2 Å²	44.2	23%	0.227	23%	0.23	C	C	.	.			trans	-65.9	147.3	171.6	30.6	-37.4	0	0	0	111.4	D395 L402 S412 S415	D395-P410 WeakPolarHBondContact OD1-CG 3.39Å; L402-P410 VanDerWaalsContact CD2-CD 3.4Å; L402-P410 HydrophobicContact CD2-CG 3.56Å; P410-S412 PolarHBondContact O-N 2.97Å; P410-S415 PolarHBondContact O-OG 3.46Å
411	C	78	Confident	73.6	Confident	12 Å²	12	48.5 Å²	48.5	8%	0.081	25%	0.249	C	C	.	.			trans	-85.2	103.2	170.7	179.1	0	0	0	0	109.7	R398 N416 L464 V476	R398-C411 PolarHBondContact NH1-O 3.23Å; C411-N416 PolarHBondContact SG-ND2 2.84Å; C411-L464 VanDerWaalsContact SG-CB 3.59Å; C411-L464 PolarHBondContact SG-N 3.11Å; C411-V476 HydrophobicContact CB-CG2 4.42Å
412	S	83.8	Confident	75.1	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.007	26%	0.259	C	S	.	.			trans	-132.9	170.7	178.2	76.8	0	0	0	0	111.7	D395 P410 S414 S415 N416 A419	D395-S412 WeakPolarHBondContact OD1-CB 3.26Å; D395-S412 PolarHBondContact OD1-OG 2.98Å; D395-S412 PolarHBondContact OD2-OG 3Å; P410-S412 PolarHBondContact O-N 2.97Å; S412-S414 PolarHBondContact O-N 2.94Å; S412-S414 PolarHBondContact OG-N 3.41Å; S412-S414 PolarHBondContact OG-OG 2.93Å; S412-S415 PolarHBondContact N-OG 3.4Å; S412-S415 VanDerWaalsContact N-OG 3.17Å; S412-S415 PolarHBondContact O-N 2.88Å; S412-S415 PolarHBondContact OG-N 3.16Å; S412-S415 PolarHBondContact OG-OG 3.26Å; S412-S415 VanDerWaalsContact OG-OG 3.13Å; S412-N416 WeakPolarHBondContact O-CA 3.42Å; S412-N416 VanDerWaalsContact O-CB 3.23Å; S412-N416 WeakPolarHBondContact O-CB 3.42Å; S412-N416 PolarHBondContact O-N 3.34Å; S412-A419 WeakPolarHBondContact O-CB 3.27Å
413	A	83.9	Confident	76.6	Confident	4 Å²	4	49.4 Å²	49.4	3%	0.033	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-22.7	176.5	0	0	0	0	0	113.7	R420 Q423	A413-R420 HydrophobicContact CB-CB 4.45Å; A413-R420 WeakPolarHBondContact O-CB 3.39Å; A413-R420 PolarHBondContact O-NE 3.03Å; A413-Q423 HydrophobicContact CB-CB 4.37Å
414	S	84.5	Confident	78.2	Confident	18 Å²	18	52.3 Å²	52.3	13%	0.126	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-43.8	173.5	45.3	0	0	0	0	111.2	N392 C394 D395 S412 R420	N392-S414 WeakPolarHBondContact O-CB 3.48Å; C394-S414 WeakPolarHBondContact CB-OG 3.23Å; C394-S414 PolarHBondContact N-OG 2.71Å; D395-S414 PolarHBondContact N-OG 3.33Å; D395-S414 VanDerWaalsContact N-OG 3.13Å; D395-S414 PolarHBondContact OD2-OG 3.08Å; S412-S414 PolarHBondContact O-N 2.94Å; S412-S414 PolarHBondContact OG-N 3.41Å; S412-S414 PolarHBondContact OG-OG 2.93Å; S414-R420 PolarHBondContact O-NH2 3.05Å
415	S	83.3	Confident	79.8	Confident	66 Å²	66	60 Å²	60	46%	0.462	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-24.6	-175.7	66.3	0	0	0	0	115.1	D395 P410 S412	D395-S415 WeakPolarHBondContact OD2-CB 3.33Å; P410-S415 PolarHBondContact O-OG 3.46Å; S412-S415 PolarHBondContact N-OG 3.4Å; S412-S415 VanDerWaalsContact N-OG 3.17Å; S412-S415 PolarHBondContact O-N 2.88Å; S412-S415 PolarHBondContact OG-N 3.16Å; S412-S415 PolarHBondContact OG-OG 3.26Å; S412-S415 VanDerWaalsContact OG-OG 3.13Å
416	N	86.6	Confident	81.3	Confident	10 Å²	10	57 Å²	57	5%	0.053	27%	0.272	C	S	.	.			trans	-125.5	122.1	-168.9	-172.4	-46.6	0	0	0	112.4	C411 S412 F418 A419 R420 D463 S465	C411-N416 PolarHBondContact SG-ND2 2.84Å; S412-N416 WeakPolarHBondContact O-CA 3.42Å; S412-N416 VanDerWaalsContact O-CB 3.23Å; S412-N416 WeakPolarHBondContact O-CB 3.42Å; S412-N416 PolarHBondContact O-N 3.34Å; N416-F418 VanDerWaalsContact C-N 3.31Å; N416-F418 PolarHBondContact O-N 3.13Å; N416-F418 WeakPolarHBondContact OD1-CA 3.3Å; N416-F418 WeakPolarHBondContact OD1-CB 3.27Å; N416-F418 PolarHBondContact OD1-N 3.4Å; N416-A419 HydrophobicContact CB-CB 3.94Å; N416-A419 PolarHBondContact O-N 3.36Å; N416-A419 PolarHBondContact OD1-N 3.1Å; N416-R420 WeakPolarHBondContact O-CB 3.37Å; N416-R420 PolarHBondContact O-N 3.36Å; N416-D463 PolarHBondContact ND2-OD1 2.95Å; N416-S465 WeakPolarHBondContact ND2-CB 3.46Å; N416-S465 PolarHBondContact ND2-N 2.79Å
417	N	89.5	Confident	83.1	Confident	104 Å²	104	57.8 Å²	57.8	56%	0.556	27%	0.271	S	S	*	.	H	α-helix	trans	-60.9	-35.8	-179.7	-71.8	-36.5	0	0	0	113.6	R420 Q421	N417-R420 PolarHBondContact O-N 3.02Å; N417-Q421 VanDerWaalsContact O-CG 3.28Å; N417-Q421 WeakPolarHBondContact O-CG 3.48Å; N417-Q421 PolarHBondContact O-N 3.29Å
418	F	90.1	Very high	84.6	Confident	65 Å²	65	61.4 Å²	61.4	29%	0.285	29%	0.29	S	S	.	.	H	α-helix	trans	-72.6	-42.7	179.1	-59.2	-71.6	0	0	0	111.2	N416 R420 Q421 I422 L464 R493	N416-F418 VanDerWaalsContact C-N 3.31Å; N416-F418 PolarHBondContact O-N 3.13Å; N416-F418 WeakPolarHBondContact OD1-CA 3.3Å; N416-F418 WeakPolarHBondContact OD1-CB 3.27Å; N416-F418 PolarHBondContact OD1-N 3.4Å; F418-R420 VanDerWaalsContact C-N 3.29Å; F418-R420 PolarHBondContact O-N 2.94Å; F418-Q421 PolarHBondContact O-N 3.14Å; F418-I422 WeakPolarHBondContact O-CG1 3.24Å; F418-I422 PolarHBondContact O-N 3.1Å; F418-L464 HydrophobicContact CB-CB 4.16Å; F418-L464 WeakPolarHBondContact CD2-O 3.31Å; F418-R493 HydrophobicContact CE2-CG 4.29Å; F418-R493 HydrophobicContact CZ-CG 4.46Å
419	A	88.8	Confident	86.2	Confident	13 Å²	13	63.6 Å²	63.6	11%	0.107	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-42.6	172.9	0	0	0	0	0	111	S412 N416 Q421 I422 Q423 L464	S412-A419 WeakPolarHBondContact O-CB 3.27Å; N416-A419 HydrophobicContact CB-CB 3.94Å; N416-A419 PolarHBondContact O-N 3.36Å; N416-A419 PolarHBondContact OD1-N 3.1Å; A419-Q421 PolarHBondContact O-N 3.11Å; A419-I422 PolarHBondContact O-N 2.97Å; A419-Q423 PolarHBondContact O-N 3.01Å; A419-L464 HydrophobicContact CB-CD1 3.84Å
420	R	91.1	Very high	87.3	Confident	80 Å²	80	59 Å²	59	30%	0.302	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-44	174.8	-165.2	-179.7	-63.3	177.3	-0.9	112.4	A413 S414 N416 N417 F418 Q423 R424	A413-R420 HydrophobicContact CB-CB 4.45Å; A413-R420 WeakPolarHBondContact O-CB 3.39Å; A413-R420 PolarHBondContact O-NE 3.03Å; S414-R420 PolarHBondContact O-NH2 3.05Å; N416-R420 WeakPolarHBondContact O-CB 3.37Å; N416-R420 PolarHBondContact O-N 3.36Å; N417-R420 PolarHBondContact O-N 3.02Å; F418-R420 VanDerWaalsContact C-N 3.29Å; F418-R420 PolarHBondContact O-N 2.94Å; R420-Q423 PolarHBondContact O-N 2.79Å; R420-R424 WeakPolarHBondContact O-CG 3.31Å; R420-R424 PolarHBondContact O-N 3.13Å
421	Q	91.8	Very high	88.4	Confident	94 Å²	94	59.7 Å²	59.7	44%	0.439	29%	0.291	S	S	.	.	H	α-helix	trans	-63.5	-40.8	176.5	-76.3	175.1	10	0	0	112.2	N417 F418 A419 R424 R425	N417-Q421 VanDerWaalsContact O-CG 3.28Å; N417-Q421 WeakPolarHBondContact O-CG 3.48Å; N417-Q421 PolarHBondContact O-N 3.29Å; F418-Q421 PolarHBondContact O-N 3.14Å; A419-Q421 PolarHBondContact O-N 3.11Å; Q421-R424 PolarHBondContact O-N 3.35Å; Q421-R425 WeakPolarHBondContact O-CG 3.37Å; Q421-R425 PolarHBondContact O-N 3.24Å
422	I	89.9	Confident	89.1	Confident	65 Å²	65	65.6 Å²	65.6	33%	0.333	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-46.8	176.3	-69.2	165.3	0	0	0	110.4	F418 A419 R424 R425 F426 L464	F418-I422 WeakPolarHBondContact O-CG1 3.24Å; F418-I422 PolarHBondContact O-N 3.1Å; A419-I422 PolarHBondContact O-N 2.97Å; I422-R424 PolarHBondContact O-N 2.98Å; I422-R425 PolarHBondContact O-N 3.17Å; I422-F426 WeakPolarHBondContact O-CB 3.34Å; I422-F426 PolarHBondContact O-N 2.87Å; I422-L464 HydrophobicContact CD1-CD1 3.88Å; I422-L464 HydrophobicContact CD1-CD2 4.33Å
423	Q	89.1	Confident	89.4	Confident	27 Å²	27	67.8 Å²	67.8	13%	0.126	34%	0.34	C	S	.	.	H	α-helix	trans	-62.2	-42	177.3	-178.1	170.5	-5.8	0	0	112.4	A413 A419 R420 F426 K427 L445	A413-Q423 HydrophobicContact CB-CB 4.37Å; A419-Q423 PolarHBondContact O-N 3.01Å; R420-Q423 PolarHBondContact O-N 2.79Å; Q423-F426 WeakPolarHBondContact O-CB 3.36Å; Q423-F426 PolarHBondContact O-N 3.37Å; Q423-K427 WeakPolarHBondContact O-CB 3.27Å; Q423-K427 PolarHBondContact O-N 2.83Å; Q423-L445 HydrophobicContact CG-CD2 4.22Å
424	R	91.4	Very high	89	Confident	143 Å²	143	76 Å²	76	54%	0.54	38%	0.375	S	S	.	.	H	α-helix	trans	-61.5	-47.4	175.7	-74.8	177.3	-179.6	-175.1	-1.7	111.9	R420 Q421 I422 F426 K427 D428	R420-R424 WeakPolarHBondContact O-CG 3.31Å; R420-R424 PolarHBondContact O-N 3.13Å; Q421-R424 PolarHBondContact O-N 3.35Å; I422-R424 PolarHBondContact O-N 2.98Å; R424-F426 VanDerWaalsContact C-N 3.27Å; R424-F426 PolarHBondContact O-N 2.82Å; R424-K427 WeakPolarHBondContact O-CB 3.19Å; R424-K427 PolarHBondContact O-N 2.85Å; R424-K427 VanDerWaalsContact O-N 3.16Å; R424-D428 PolarHBondContact O-N 3.5Å
425	R	91.4	Very high	88.8	Confident	169 Å²	169	85.1 Å²	85.1	64%	0.638	41%	0.408	S	S	*	.	H	α-helix	trans	-59.5	-40.2	175.3	-72	176.4	-176	179.5	1.7	111.9	Q421 I422 D428 T429	Q421-R425 WeakPolarHBondContact O-CG 3.37Å; Q421-R425 PolarHBondContact O-N 3.24Å; I422-R425 PolarHBondContact O-N 3.17Å; R425-D428 PolarHBondContact O-N 3.42Å; R425-T429 WeakPolarHBondContact O-CB 3.42Å; R425-T429 PolarHBondContact O-N 2.95Å; R425-T429 PolarHBondContact O-OG1 3.17Å
426	F	89.1	Confident	88.7	Confident	102 Å²	102	83.3 Å²	83.3	45%	0.447	40%	0.4	S	S	.	.	H	α-helix	trans	-63.1	-44.8	176.1	179.1	-108.4	0	0	0	111.7	I422 Q423 R424 T429 I430 L445	I422-F426 WeakPolarHBondContact O-CB 3.34Å; I422-F426 PolarHBondContact O-N 2.87Å; Q423-F426 WeakPolarHBondContact O-CB 3.36Å; Q423-F426 PolarHBondContact O-N 3.37Å; R424-F426 VanDerWaalsContact C-N 3.27Å; R424-F426 PolarHBondContact O-N 2.82Å; F426-T429 PolarHBondContact O-N 3.15Å; F426-I430 HydrophobicContact CD1-CD1 3.89Å; F426-I430 HydrophobicContact CD2-CD1 4.49Å; F426-I430 HydrophobicContact CE1-CD1 3.43Å; F426-I430 VanDerWaalsContact CE1-CD1 3.43Å; F426-I430 HydrophobicContact CE2-CD1 4.08Å; F426-I430 HydrophobicContact CG-CD1 4.41Å; F426-I430 HydrophobicContact CZ-CD1 3.54Å; F426-I430 HydrophobicContact CZ-CG1 4.44Å; F426-I430 WeakPolarHBondContact O-CG1 3.47Å; F426-I430 PolarHBondContact O-N 3Å; F426-I430 VanDerWaalsContact O-N 3.13Å; F426-L445 HydrophobicContact CD1-CD2 3.89Å; F426-L445 HydrophobicContact CE1-CD2 4.07Å
427	K	90.8	Very high	88.8	Confident	37 Å²	37	84 Å²	84	16%	0.161	41%	0.409	C	S	.	.	H	α-helix	trans	-57.2	-52.5	173.2	-173.4	178.3	-173.6	167	0	111.1	E391 Q423 R424 T429 I430 V431 A441 L445	E391-K427 IonicContact OE1-NZ 3.7Å; E391-K427 PolarHBondContact OE1-NZ 3.02Å; E391-K427 IonicContact OE2-NZ 2.91Å; E391-K427 PolarHBondContact OE2-NZ 3.23Å; Q423-K427 WeakPolarHBondContact O-CB 3.27Å; Q423-K427 PolarHBondContact O-N 2.83Å; R424-K427 WeakPolarHBondContact O-CB 3.19Å; R424-K427 PolarHBondContact O-N 2.85Å; R424-K427 VanDerWaalsContact O-N 3.16Å; K427-T429 VanDerWaalsContact C-N 3.28Å; K427-T429 PolarHBondContact O-N 3.35Å; K427-I430 PolarHBondContact O-N 3.19Å; K427-I430 VanDerWaalsContact O-N 3.09Å; K427-V431 WeakPolarHBondContact O-CG2 3.36Å; K427-V431 PolarHBondContact O-N 3.42Å; K427-A441 HydrophobicContact CG-CB 4.31Å; K427-L445 HydrophobicContact CB-CD1 4.12Å; K427-L445 HydrophobicContact CD-CD1 4.04Å; K427-L445 HydrophobicContact CG-CD1 3.96Å
428	D	91.9	Very high	88.9	Confident	90 Å²	90	83.5 Å²	83.5	48%	0.481	40%	0.403	S	S	.	.	H	α-helix	trans	-60.5	-37.5	179.6	-62.8	-22.4	0	0	0	112.1	R424 R425 I430 V431 N432	R424-D428 PolarHBondContact O-N 3.5Å; R425-D428 PolarHBondContact O-N 3.42Å; D428-I430 VanDerWaalsContact C-N 3.34Å; D428-I430 PolarHBondContact O-N 3.02Å; D428-V431 PolarHBondContact O-N 2.91Å; D428-N432 WeakPolarHBondContact O-CB 3.37Å; D428-N432 PolarHBondContact O-N 2.81Å; D428-N432 PolarHBondContact O-ND2 3.38Å
429	T	91.4	Very high	88.8	Confident	97 Å²	97	84.3 Å²	84.3	60%	0.595	41%	0.414	S	S	*	.	H	α-helix	trans	-62.5	-41.4	176.1	-56.9	0	0	0	0	111.5	R425 F426 K427 A433	R425-T429 WeakPolarHBondContact O-CB 3.42Å; R425-T429 PolarHBondContact O-N 2.95Å; R425-T429 PolarHBondContact O-OG1 3.17Å; F426-T429 PolarHBondContact O-N 3.15Å; K427-T429 VanDerWaalsContact C-N 3.28Å; K427-T429 PolarHBondContact O-N 3.35Å; T429-A433 PolarHBondContact O-N 2.92Å
430	I	88.6	Confident	88.8	Confident	7 Å²	7	85.9 Å²	85.9	4%	0.036	42%	0.419	C	S	.	.	H	α-helix	trans	-70.7	-42.2	178.2	-64.5	162.3	0	0	0	110.9	F426 K427 D428 N432 A433 G436 E440 A441 R444	F426-I430 HydrophobicContact CD1-CD1 3.89Å; F426-I430 HydrophobicContact CD2-CD1 4.49Å; F426-I430 HydrophobicContact CE1-CD1 3.43Å; F426-I430 VanDerWaalsContact CE1-CD1 3.43Å; F426-I430 HydrophobicContact CE2-CD1 4.08Å; F426-I430 HydrophobicContact CG-CD1 4.41Å; F426-I430 HydrophobicContact CZ-CD1 3.54Å; F426-I430 HydrophobicContact CZ-CG1 4.44Å; F426-I430 WeakPolarHBondContact O-CG1 3.47Å; F426-I430 PolarHBondContact O-N 3Å; F426-I430 VanDerWaalsContact O-N 3.13Å; K427-I430 PolarHBondContact O-N 3.19Å; K427-I430 VanDerWaalsContact O-N 3.09Å; D428-I430 VanDerWaalsContact C-N 3.34Å; D428-I430 PolarHBondContact O-N 3.02Å; I430-N432 VanDerWaalsContact C-N 3.28Å; I430-N432 PolarHBondContact O-N 2.98Å; I430-A433 PolarHBondContact O-N 2.77Å; I430-G436 VanDerWaalsContact O-CA 3.31Å; I430-G436 WeakPolarHBondContact O-CA 3.47Å; I430-E440 HydrophobicContact CG2-CG 4.43Å; I430-A441 HydrophobicContact CB-CB 4.08Å; I430-A441 HydrophobicContact CG2-CB 3.83Å; I430-R444 HydrophobicContact CD1-CB 4.12Å
431	V	91.6	Very high	88.7	Confident	50 Å²	50	82.1 Å²	82.1	30%	0.303	40%	0.404	S	S	.	.	H	α-helix	trans	-59.7	-41.3	179.7	172.6	0	0	0	0	111	K427 D428 A441	K427-V431 WeakPolarHBondContact O-CG2 3.36Å; K427-V431 PolarHBondContact O-N 3.42Å; D428-V431 PolarHBondContact O-N 2.91Å; V431-A441 HydrophobicContact CG2-CB 3.67Å
432	N	91.8	Very high	88.7	Confident	135 Å²	135	77.6 Å²	77.6	72%	0.722	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-0.4	-177	-64.9	-46.7	0	0	0	114.5	D428 I430	D428-N432 WeakPolarHBondContact O-CB 3.37Å; D428-N432 PolarHBondContact O-N 2.81Å; D428-N432 PolarHBondContact O-ND2 3.38Å; I430-N432 VanDerWaalsContact C-N 3.28Å; I430-N432 PolarHBondContact O-N 2.98Å
433	A	90.5	Very high	88.7	Confident	47 Å²	47	78 Å²	78	39%	0.388	38%	0.381	S	S	.	.	S	Bend	trans	-72.2	155.7	-179.5	0	0	0	0	0	112.4	T429 I430 Y435 G436	T429-A433 PolarHBondContact O-N 2.92Å; I430-A433 PolarHBondContact O-N 2.77Å; A433-Y435 PolarHBondContact O-N 3.34Å; A433-G436 WeakPolarHBondContact O-CA 3.46Å; A433-G436 PolarHBondContact O-N 3.13Å
434	K	76.3	Confident	88.6	Confident	178 Å²	178	82.5 Å²	82.5	77%	0.774	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	118.5	171.5	-168.4	177.5	-179.8	178.4	0	108.5	G436	K434-G436 VanDerWaalsContact C-N 3.28Å
435	Y	79.6	Confident	88.6	Confident	208 Å²	208	75.8 Å²	75.8	82%	0.816	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	16.1	-166.5	-41.5	-70.7	0	0	0	115.4	A433	A433-Y435 PolarHBondContact O-N 3.34Å
436	G	81	Confident	88.6	Confident	29 Å²	29	67.8 Å²	67.8	30%	0.299	34%	0.341	S	S	.	.			trans	-80	-177.3	167.2	0	0	0	0	0	112.5	I430 A433 K434	I430-G436 VanDerWaalsContact O-CA 3.31Å; I430-G436 WeakPolarHBondContact O-CA 3.47Å; A433-G436 WeakPolarHBondContact O-CA 3.46Å; A433-G436 PolarHBondContact O-N 3.13Å; K434-G436 VanDerWaalsContact C-N 3.28Å
437	G	89.9	Confident	88.6	Confident	23 Å²	23	64.8 Å²	64.8	24%	0.237	34%	0.339	C	S	.	.			trans	165.2	169.2	177	0	0	0	0	0	111.2	T439 E440 A441	G437-T439 PolarHBondContact O-N 3.09Å; G437-E440 PolarHBondContact O-N 3.04Å; G437-A441 WeakPolarHBondContact O-CB 3.2Å; G437-A441 PolarHBondContact O-N 2.9Å
438	H	89.9	Confident	88.5	Confident	95 Å²	95	67.3 Å²	67.3	44%	0.44	35%	0.352	S	S	.	.	H	α-helix	trans	-59.2	-48.5	179.8	-172.7	55.4	0	0	0	111.7	D384 E440 A441 V442	D384-H438 IonicContact OD1-CD2 3.02Å; D384-H438 IonicContact OD1-NE2 2.73Å; D384-H438 PolarHBondContact OD1-NE2 2.77Å; H438-E440 VanDerWaalsContact C-N 3.31Å; H438-E440 PolarHBondContact O-N 3.41Å; H438-A441 WeakPolarHBondContact O-CB 2.9Å; H438-A441 PolarHBondContact O-N 3.19Å; H438-A441 VanDerWaalsContact O-N 3.11Å; H438-V442 VanDerWaalsContact O-CG2 3.25Å; H438-V442 WeakPolarHBondContact O-CG2 3.42Å; H438-V442 PolarHBondContact O-N 3.49Å
439	T	89.2	Confident	88.5	Confident	82 Å²	82	63 Å²	63	50%	0.503	33%	0.329	S	S	.	.	H	α-helix	trans	-60	-38.9	179.4	-47	0	0	0	0	112.8	T382 G437 R443	T382-T439 HydrophobicContact CG2-CG2 3.44Å; T382-T439 VanDerWaalsContact CG2-CG2 3.44Å; G437-T439 PolarHBondContact O-N 3.09Å; T439-R443 WeakPolarHBondContact O-CB 3.49Å; T439-R443 PolarHBondContact O-N 3.47Å
440	E	88.3	Confident	88.6	Confident	46 Å²	46	58.6 Å²	58.6	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-72.8	-35	177.5	-178.7	60.5	-166.9	0	0	111.5	I430 G437 H438 R443 R444	I430-E440 HydrophobicContact CG2-CG 4.43Å; G437-E440 PolarHBondContact O-N 3.04Å; H438-E440 VanDerWaalsContact C-N 3.31Å; H438-E440 PolarHBondContact O-N 3.41Å; E440-R443 PolarHBondContact O-N 3.36Å; E440-R443 IonicContact OE2-CZ 3.55Å; E440-R443 IonicContact OE2-NE 3.83Å; E440-R443 IonicContact OE2-NH1 3.73Å; E440-R443 PolarHBondContact OE2-NH1 2.93Å; E440-R444 WeakPolarHBondContact O-CB 3.41Å; E440-R444 WeakPolarHBondContact O-CG 3.28Å; E440-R444 PolarHBondContact O-N 3.31Å; E440-R444 IonicContact OE1-CZ 3.57Å; E440-R444 IonicContact OE1-NE 3.42Å; E440-R444 PolarHBondContact OE1-NE 3Å; E440-R444 IonicContact OE1-NH2 2.77Å; E440-R444 PolarHBondContact OE1-NH2 2.9Å
441	A	89.5	Confident	88.7	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-45.7	172.4	0	0	0	0	0	111.7	K427 I430 V431 G437 H438 R444 L445	K427-A441 HydrophobicContact CG-CB 4.31Å; I430-A441 HydrophobicContact CB-CB 4.08Å; I430-A441 HydrophobicContact CG2-CB 3.83Å; V431-A441 HydrophobicContact CG2-CB 3.67Å; G437-A441 WeakPolarHBondContact O-CB 3.2Å; G437-A441 PolarHBondContact O-N 2.9Å; H438-A441 WeakPolarHBondContact O-CB 2.9Å; H438-A441 PolarHBondContact O-N 3.19Å; H438-A441 VanDerWaalsContact O-N 3.11Å; A441-R444 PolarHBondContact O-N 3.2Å; A441-L445 WeakPolarHBondContact O-CB 3.44Å; A441-L445 WeakPolarHBondContact O-CG 3.35Å; A441-L445 PolarHBondContact O-N 3.31Å
442	V	91.3	Very high	88.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.1	-51.4	174.7	174.8	0	0	0	0	109.9	D384 L387 H438 R444 L445 L446	D384-V442 VanDerWaalsContact OD1-CG2 3.23Å; D384-V442 WeakPolarHBondContact OD1-CG2 2.96Å; L387-V442 HydrophobicContact CB-CG1 4.29Å; L387-V442 HydrophobicContact CD2-CB 4.18Å; L387-V442 HydrophobicContact CD2-CG1 4.26Å; L387-V442 HydrophobicContact CD2-CG2 3.64Å; H438-V442 VanDerWaalsContact O-CG2 3.25Å; H438-V442 WeakPolarHBondContact O-CG2 3.42Å; H438-V442 PolarHBondContact O-N 3.49Å; V442-R444 VanDerWaalsContact C-N 3.34Å; V442-R444 PolarHBondContact O-N 3.08Å; V442-L445 PolarHBondContact O-N 3.18Å; V442-L446 HydrophobicContact CG1-CD1 3.75Å; V442-L446 HydrophobicContact CG1-CG 4.28Å; V442-L446 WeakPolarHBondContact O-CB 3.33Å; V442-L446 WeakPolarHBondContact O-CG 3.35Å; V442-L446 PolarHBondContact O-N 3.49Å
443	R	89.3	Confident	88.6	Confident	72 Å²	72	50.4 Å²	50.4	27%	0.272	26%	0.257	S	S	.	.	H	α-helix	trans	-56.9	-44.1	178.9	-173.6	-171.6	-66.8	162.8	-13	112.9	N381 T439 E440 G447	N381-R443 VanDerWaalsContact O-CA 3.3Å; N381-R443 WeakPolarHBondContact O-CA 3.49Å; T439-R443 WeakPolarHBondContact O-CB 3.49Å; T439-R443 PolarHBondContact O-N 3.47Å; E440-R443 PolarHBondContact O-N 3.36Å; E440-R443 IonicContact OE2-CZ 3.55Å; E440-R443 IonicContact OE2-NE 3.83Å; E440-R443 IonicContact OE2-NH1 3.73Å; E440-R443 PolarHBondContact OE2-NH1 2.93Å; R443-G447 PolarHBondContact O-N 2.81Å
444	R	88.6	Confident	88.5	Confident	123 Å²	123	48.7 Å²	48.7	46%	0.464	24%	0.241	S	C	.	.	H	α-helix	trans	-69.1	-37.9	179.4	-74.2	-175.2	-168.2	175.8	4.6	113.1	I430 E440 A441 V442 G447	I430-R444 HydrophobicContact CD1-CB 4.12Å; E440-R444 WeakPolarHBondContact O-CB 3.41Å; E440-R444 WeakPolarHBondContact O-CG 3.28Å; E440-R444 PolarHBondContact O-N 3.31Å; E440-R444 IonicContact OE1-CZ 3.57Å; E440-R444 IonicContact OE1-NE 3.42Å; E440-R444 PolarHBondContact OE1-NE 3Å; E440-R444 IonicContact OE1-NH2 2.77Å; E440-R444 PolarHBondContact OE1-NH2 2.9Å; A441-R444 PolarHBondContact O-N 3.2Å; V442-R444 VanDerWaalsContact C-N 3.34Å; V442-R444 PolarHBondContact O-N 3.08Å; R444-G447 PolarHBondContact O-N 2.95Å
445	L	90.4	Very high	89.1	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-67.7	-48.1	176.8	-72.1	171.7	0	0	0	110.8	L387 Q423 F426 K427 A441 V442 G447 Q448	L387-L445 HydrophobicContact CD1-CB 3.68Å; L387-L445 HydrophobicContact CD1-CD1 3.77Å; L387-L445 HydrophobicContact CD1-CG 4.37Å; L387-L445 HydrophobicContact CD2-CD1 4.28Å; Q423-L445 HydrophobicContact CG-CD2 4.22Å; F426-L445 HydrophobicContact CD1-CD2 3.89Å; F426-L445 HydrophobicContact CE1-CD2 4.07Å; K427-L445 HydrophobicContact CB-CD1 4.12Å; K427-L445 HydrophobicContact CD-CD1 4.04Å; K427-L445 HydrophobicContact CG-CD1 3.96Å; A441-L445 WeakPolarHBondContact O-CB 3.44Å; A441-L445 WeakPolarHBondContact O-CG 3.35Å; A441-L445 PolarHBondContact O-N 3.31Å; V442-L445 PolarHBondContact O-N 3.18Å; L445-G447 PolarHBondContact O-N 3.2Å; L445-Q448 WeakPolarHBondContact O-CG 3.41Å; L445-Q448 PolarHBondContact O-N 2.89Å
446	L	92	Very high	89.5	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-68.6	-18.9	175.7	-62.9	-178.1	0	0	0	112.9	F365 L386 L387 V442 Q448 L449	F365-L446 HydrophobicContact CE2-CB 4.15Å; F365-L446 HydrophobicContact CZ-CB 4.29Å; F365-L446 WeakPolarHBondContact CZ-O 3.4Å; L386-L446 HydrophobicContact CB-CD1 4.34Å; L386-L446 HydrophobicContact CB-CD2 4.35Å; L386-L446 HydrophobicContact CD2-CD1 4.21Å; L386-L446 HydrophobicContact CD2-CD2 4.1Å; L386-L446 HydrophobicContact CG-CD1 4.4Å; L386-L446 HydrophobicContact CG-CD2 3.83Å; L387-L446 HydrophobicContact CB-CD2 4.25Å; L387-L446 HydrophobicContact CB-CG 4.49Å; L387-L446 HydrophobicContact CD1-CD2 4.35Å; V442-L446 HydrophobicContact CG1-CD1 3.75Å; V442-L446 HydrophobicContact CG1-CG 4.28Å; V442-L446 WeakPolarHBondContact O-CB 3.33Å; V442-L446 WeakPolarHBondContact O-CG 3.35Å; V442-L446 PolarHBondContact O-N 3.49Å; L446-Q448 PolarHBondContact O-N 2.92Å; L446-Q448 VanDerWaalsContact O-N 3.11Å; L446-L449 HydrophobicContact CD2-CD1 4.03Å; L446-L449 WeakPolarHBondContact O-CB 3.35Å; L446-L449 PolarHBondContact O-N 3.11Å
447	G	88.3	Confident	89.8	Confident	40 Å²	40	32.5 Å²	32.5	41%	0.412	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.6	173.7	0	0	0	0	0	114.2	R443 R444 L445 L449	R443-G447 PolarHBondContact O-N 2.81Å; R444-G447 PolarHBondContact O-N 2.95Å; L445-G447 PolarHBondContact O-N 3.2Å; G447-L449 VanDerWaalsContact C-N 3.25Å; G447-L449 PolarHBondContact O-N 3.18Å
448	Q	88.4	Confident	89.4	Confident	89 Å²	89	32.3 Å²	32.3	42%	0.416	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.2	173.8	-60	-178.3	16.4	0	0	113.1	L445 L446 P450	L445-Q448 WeakPolarHBondContact O-CG 3.41Å; L445-Q448 PolarHBondContact O-N 2.89Å; L446-Q448 PolarHBondContact O-N 2.92Å; L446-Q448 VanDerWaalsContact O-N 3.11Å; Q448-P450 CarbonylContact O-C 3.51Å
449	L	92	Very high	89.4	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-87.6	148.1	179.9	-65.2	-179.8	0	0	0	111.5	F343 K345 F365 L386 F390 F397 L446 G447 I451	F343-L449 HydrophobicContact CE1-CB 3.91Å; F343-L449 HydrophobicContact CE1-CD1 3.93Å; F343-L449 HydrophobicContact CE1-CD2 4.33Å; F343-L449 HydrophobicContact CE1-CG 4.26Å; F343-L449 HydrophobicContact CZ-CD1 4.12Å; K345-L449 PolarHBondContact NZ-O 3.24Å; F365-L449 HydrophobicContact CD1-CB 4.38Å; F365-L449 HydrophobicContact CE1-CB 3.67Å; F365-L449 WeakPolarHBondContact CE1-O 3.27Å; F365-L449 HydrophobicContact CZ-CB 4.17Å; L386-L449 HydrophobicContact CD2-CD1 4.41Å; L386-L449 HydrophobicContact CG-CD1 4.44Å; F390-L449 HydrophobicContact CB-CD1 4.48Å; F390-L449 HydrophobicContact CD2-CD1 4.18Å; F390-L449 HydrophobicContact CD2-CD2 3.92Å; F390-L449 HydrophobicContact CD2-CG 4.35Å; F390-L449 HydrophobicContact CE2-CD2 3.78Å; F390-L449 HydrophobicContact CE2-CG 4.42Å; F390-L449 HydrophobicContact CG-CD1 4.29Å; F390-L449 HydrophobicContact CZ-CD2 4.47Å; F397-L449 HydrophobicContact CB-CD2 4.4Å; F397-L449 HydrophobicContact CD1-CD2 3.88Å; F397-L449 HydrophobicContact CE1-CD1 4.4Å; F397-L449 HydrophobicContact CE1-CD2 4.47Å; F397-L449 HydrophobicContact CG-CD2 4.28Å; L446-L449 HydrophobicContact CD2-CD1 4.03Å; L446-L449 WeakPolarHBondContact O-CB 3.35Å; L446-L449 PolarHBondContact O-N 3.11Å; G447-L449 VanDerWaalsContact C-N 3.25Å; G447-L449 PolarHBondContact O-N 3.18Å; L449-I451 HydrophobicContact CD2-CD1 4.23Å; L449-I451 HydrophobicContact CD2-CG1 3.8Å
450	P	93.3	Very high	89.4	Confident	4 Å²	4	24.3 Å²	24.3	3%	0.026	13%	0.127	C	C	.	.	S	Bend	cis	-69.2	153.7	-12.5	-15.8	32.3	0	0	0	112.2	K333 Q335 F343 K345 Q448	K333-P450 VanDerWaalsContact CB-CD 3.49Å; K333-P450 HydrophobicContact CB-CG 3.81Å; Q335-P450 HydrophobicContact CB-CB 3.56Å; F343-P450 HydrophobicContact CD1-CB 4.08Å; F343-P450 HydrophobicContact CD1-CG 4.21Å; K345-P450 HydrophobicContact CB-CG 3.92Å; Q448-P450 CarbonylContact O-C 3.51Å
451	I	92	Very high	89.5	Confident	7 Å²	7	22.2 Å²	22.2	4%	0.036	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-83.1	136.8	-178.4	-61.8	-170	0	0	0	109.6	Y223 F390 F397 R398 L449 Y456	Y223-I451 VanDerWaalsContact CE2-O 3.23Å; Y223-I451 WeakPolarHBondContact CE2-O 3.21Å; F390-I451 HydrophobicContact CE2-CD1 4.15Å; F397-I451 HydrophobicContact CB-CD1 3.91Å; R398-I451 HydrophobicContact CG-CD1 3.76Å; L449-I451 HydrophobicContact CD2-CD1 4.23Å; L449-I451 HydrophobicContact CD2-CG1 3.8Å; I451-Y456 HydrophobicContact CD1-CE2 4.43Å; I451-Y456 HydrophobicContact CG2-CD2 4.48Å; I451-Y456 HydrophobicContact CG2-CE2 3.62Å
452	S	90.9	Very high	89.6	Confident	14 Å²	14	22.4 Å²	22.4	10%	0.098	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-66.9	142.7	172.7	-65.1	0	0	0	0	111.9	H218 Q220 Q454 S455	H218-S452 WeakPolarHBondContact O-CB 3.15Å; H218-S452 PolarHBondContact O-OG 2.99Å; Q220-S452 VanDerWaalsContact CG-OG 3.3Å; Q220-S452 WeakPolarHBondContact CG-OG 3.42Å; S452-Q454 PolarHBondContact O-N 3.28Å; S452-S455 PolarHBondContact O-OG 2.96Å
453	A	89.4	Confident	89.5	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	138.6	176.2	0	0	0	0	0	112.3	L146 N219 Y223 A400 S455	L146-A453 HydrophobicContact CD2-CB 3.6Å; N219-A453 PolarHBondContact ND2-O 2.81Å; Y223-A453 HydrophobicContact CD1-CB 4.27Å; Y223-A453 HydrophobicContact CD2-CB 3.68Å; Y223-A453 HydrophobicContact CE2-CB 3.94Å; Y223-A453 HydrophobicContact CG-CB 3.86Å; A400-A453 HydrophobicContact CB-CB 4.2Å; A453-S455 PolarHBondContact O-N 2.79Å; A453-S455 VanDerWaalsContact O-N 3.15Å
454	Q	89.3	Confident	89.6	Confident	10 Å²	10	19.9 Å²	19.9	5%	0.047	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	31.9	174.5	-49.8	-174.6	10.5	0	0	114.8	K64 L146 F147 A400 T401 S452 Y456	K64-Q454 PolarHBondContact NZ-O 2.82Å; L146-Q454 HydrophobicContact CD2-CB 4.26Å; L146-Q454 HydrophobicContact CD2-CG 4.03Å; F147-Q454 PolarHBondContact O-NE2 3.4Å; A400-Q454 HydrophobicContact CB-CG 4.13Å; T401-Q454 HydrophobicContact CG2-CB 4.24Å; T401-Q454 HydrophobicContact CG2-CG 3.78Å; S452-Q454 PolarHBondContact O-N 3.28Å; Q454-Y456 VanDerWaalsContact C-N 3.34Å
455	S	88.5	Confident	89.6	Confident	20 Å²	20	15.6 Å²	15.6	14%	0.14	10%	0.098	C	C	.	.			trans	-84.8	-0.9	-178	65.4	0	0	0	0	115.1	S452 A453 E478	S452-S455 PolarHBondContact O-OG 2.96Å; A453-S455 PolarHBondContact O-N 2.79Å; A453-S455 VanDerWaalsContact O-N 3.15Å; S455-E478 PolarHBondContact O-N 3.23Å
456	Y	88.6	Confident	89.5	Confident	40 Å²	40	15.6 Å²	15.6	16%	0.157	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-115.6	140	-177.4	-65.9	-85.1	0	0	0	110.4	R398 I451 Q454 V476 M477	R398-Y456 HydrophobicContact CB-CD2 4.46Å; R398-Y456 HydrophobicContact CB-CE2 4.5Å; R398-Y456 HydrophobicContact CG-CD2 4.11Å; R398-Y456 HydrophobicContact CG-CE2 3.72Å; R398-Y456 PolarHBondContact NE-OH 3.29Å; I451-Y456 HydrophobicContact CD1-CE2 4.43Å; I451-Y456 HydrophobicContact CG2-CD2 4.48Å; I451-Y456 HydrophobicContact CG2-CE2 3.62Å; Q454-Y456 VanDerWaalsContact C-N 3.34Å; Y456-V476 CarbonylContact C-O 3.5Å; Y456-V476 WeakPolarHBondContact CA-O 3.31Å; Y456-V476 HydrophobicContact CD1-CB 4.48Å; Y456-V476 HydrophobicContact CD1-CG1 4.12Å; Y456-M477 HydrophobicContact CD1-CB 4.05Å; Y456-M477 HydrophobicContact CE1-CB 3.88Å; Y456-M477 HydrophobicContact CE1-CG 4.36Å
457	S	86.7	Confident	89.6	Confident	15 Å²	15	15.5 Å²	15.5	11%	0.105	10%	0.098	C	C	.	.			trans	-78.4	136	173.9	-178.3	0	0	0	0	110.6	S459 V476	S457-S459 VanDerWaalsContact C-N 3.31Å; S457-S459 WeakPolarHBondContact OG-CB 3.24Å; S457-S459 PolarHBondContact OG-N 3.34Å; S457-V476 PolarHBondContact N-O 2.99Å; S457-V476 WeakPolarHBondContact O-CG1 3.43Å
458	G	82.7	Confident	89.8	Confident	20 Å²	20	15.2 Å²	15.2	21%	0.206	9%	0.09	C	C	.	.			trans	-84.2	0.2	172.5	0	0	0	0	0	114.6
459	S	89	Confident	90.1	Very high	4 Å²	4	11.9 Å²	11.9	3%	0.028	7%	0.073	C	C	.	.			trans	-66.5	133.6	-168.4	-171.3	0	0	0	0	113	S457 Y461 L462 H524	S457-S459 VanDerWaalsContact C-N 3.31Å; S457-S459 WeakPolarHBondContact OG-CB 3.24Å; S457-S459 PolarHBondContact OG-N 3.34Å; S459-Y461 PolarHBondContact O-N 2.92Å; S459-Y461 WeakPolarHBondContact OG-CD2 3.49Å; S459-L462 PolarHBondContact O-N 2.69Å; S459-L462 VanDerWaalsContact O-N 3.12Å; S459-H524 WeakPolarHBondContact CB-O 3.32Å; S459-H524 PolarHBondContact OG-O 2.82Å
460	P	88.8	Confident	90	Very high	5 Å²	5	15.8 Å²	15.8	3%	0.032	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-64.7	-21.6	178.6	25.7	-34.2	0	0	0	112.8	H43 L462 D463 L466 P525	H43-P460 HydrophobicContact CB-CB 4.18Å; H43-P460 HydrophobicContact CB-CG 4.34Å; H43-P460 WeakPolarHBondContact CD2-CG 3.35Å; P460-L462 PolarHBondContact O-N 2.89Å; P460-D463 VanDerWaalsContact O-CB 3.31Å; P460-D463 WeakPolarHBondContact O-CB 3.24Å; P460-D463 PolarHBondContact O-N 3.45Å; P460-D463 VanDerWaalsContact O-N 3.14Å; P460-L466 HydrophobicContact CB-CD1 4.13Å; P460-P525 WeakPolarHBondContact CD-O 3.43Å
461	Y	91	Very high	89.6	Confident	1 Å²	1	18.4 Å²	18.4	0%	0.004	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-69.3	-19.6	177	-60	-70.1	0	0	0	113.4	H43 V46 F47 S459 F467 F500 E527 P528	H43-Y461 HydrophobicContact CB-CE1 4.11Å; H43-Y461 AromaticContact CD2-CZ 3.97Å; V46-Y461 VanDerWaalsContact O-CE1 3.24Å; V46-Y461 WeakPolarHBondContact O-CE1 3.45Å; V46-Y461 PolarHBondContact O-OH 3.35Å; F47-Y461 HydrophobicContact CB-CE1 4.01Å; S459-Y461 PolarHBondContact O-N 2.92Å; S459-Y461 WeakPolarHBondContact OG-CD2 3.49Å; Y461-F467 HydrophobicContact CD1-CE2 4.01Å; Y461-F467 HydrophobicContact CD1-CZ 4.22Å; Y461-F500 HydrophobicContact CD1-CE1 4.23Å; Y461-F500 HydrophobicContact CD1-CZ 4.13Å; Y461-E527 WeakPolarHBondContact CE2-O 3.46Å; Y461-P528 VanDerWaalsContact OH-CA 3.27Å; Y461-P528 WeakPolarHBondContact OH-CA 3.46Å; Y461-P528 VanDerWaalsContact OH-CB 3.3Å; Y461-P528 WeakPolarHBondContact OH-CB 3.28Å
462	L	91.1	Very high	89.4	Confident	4 Å²	4	24.1 Å²	24.1	2%	0.021	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-100.6	7.2	174.1	-59.9	177.8	0	0	0	112.4	S459 P460 L464 Y469 V474 V476 F490 F523	S459-L462 PolarHBondContact O-N 2.69Å; S459-L462 VanDerWaalsContact O-N 3.12Å; P460-L462 PolarHBondContact O-N 2.89Å; L462-L464 PolarHBondContact O-N 3.1Å; L462-Y469 PolarHBondContact O-OH 3.33Å; L462-V474 HydrophobicContact CD2-CG2 3.71Å; L462-V476 HydrophobicContact CB-CG2 4.11Å; L462-V476 WeakPolarHBondContact O-CG2 3.49Å; L462-F490 HydrophobicContact CD2-CE1 4.45Å; L462-F523 HydrophobicContact CD1-CD2 3.66Å; L462-F523 HydrophobicContact CD1-CE2 3.97Å; L462-F523 HydrophobicContact CD1-CG 4.14Å; L462-F523 HydrophobicContact CD2-CD2 4.22Å; L462-F523 HydrophobicContact CD2-CE1 4.31Å; L462-F523 HydrophobicContact CD2-CE2 3.73Å; L462-F523 HydrophobicContact CD2-CZ 3.78Å; L462-F523 HydrophobicContact CG-CD1 4.47Å; L462-F523 HydrophobicContact CG-CD2 4.04Å; L462-F523 HydrophobicContact CG-CE2 4.08Å; L462-F523 HydrophobicContact CG-CG 4.24Å; L462-F523 HydrophobicContact CG-CZ 4.32Å
463	D	89.4	Confident	89.3	Confident	10 Å²	10	26.8 Å²	26.8	5%	0.053	14%	0.141	C	C	.	.			trans	-76.3	113.1	176.6	-171.1	-21.6	0	0	0	110.3	R40 N416 P460 S465 L466 F467	R40-D463 IonicContact CZ-OD2 3.76Å; R40-D463 IonicContact NH1-OD2 3.59Å; R40-D463 PolarHBondContact NH1-OD2 2.75Å; N416-D463 PolarHBondContact ND2-OD1 2.95Å; P460-D463 VanDerWaalsContact O-CB 3.31Å; P460-D463 WeakPolarHBondContact O-CB 3.24Å; P460-D463 PolarHBondContact O-N 3.45Å; P460-D463 VanDerWaalsContact O-N 3.14Å; D463-S465 PolarHBondContact O-N 2.85Å; D463-S465 VanDerWaalsContact O-N 3.11Å; D463-S465 VanDerWaalsContact OD1-CB 3.27Å; D463-S465 WeakPolarHBondContact OD1-CB 3.33Å; D463-S465 PolarHBondContact OD1-N 2.85Å; D463-S465 PolarHBondContact OD1-OG 3.5Å; D463-S465 PolarHBondContact OD2-OG 3.15Å; D463-L466 HydrophobicContact CB-CB 4.34Å; D463-L466 HydrophobicContact CB-CD1 4.12Å; D463-L466 HydrophobicContact CB-CG 4.06Å; D463-L466 PolarHBondContact O-N 3.13Å; D463-F467 PolarHBondContact O-N 3.13Å
464	L	90.6	Very high	89.4	Confident	10 Å²	10	26.8 Å²	26.8	5%	0.052	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.2	-179.5	-66.2	169.3	0	0	0	113.6	C411 F418 A419 I422 L462 F467 Y469 R493	C411-L464 VanDerWaalsContact SG-CB 3.59Å; C411-L464 PolarHBondContact SG-N 3.11Å; F418-L464 HydrophobicContact CB-CB 4.16Å; F418-L464 WeakPolarHBondContact CD2-O 3.31Å; A419-L464 HydrophobicContact CB-CD1 3.84Å; I422-L464 HydrophobicContact CD1-CD1 3.88Å; I422-L464 HydrophobicContact CD1-CD2 4.33Å; L462-L464 PolarHBondContact O-N 3.1Å; L464-F467 CarbonylContact C-O 3.58Å; L464-F467 WeakPolarHBondContact CA-O 3.3Å; L464-Y469 HydrophobicContact CD2-CD1 4.28Å; L464-Y469 HydrophobicContact CD2-CE1 3.65Å; L464-Y469 HydrophobicContact CD2-CE2 4.12Å; L464-Y469 HydrophobicContact CG-CE1 4.42Å; L464-R493 PolarHBondContact O-NE 2.9Å
465	S	88.8	Confident	89.4	Confident	32 Å²	32	27 Å²	27	22%	0.224	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-27.8	171.9	72.5	0	0	0	0	112.2	N416 D463 R493	N416-S465 WeakPolarHBondContact ND2-CB 3.46Å; N416-S465 PolarHBondContact ND2-N 2.79Å; D463-S465 PolarHBondContact O-N 2.85Å; D463-S465 VanDerWaalsContact O-N 3.11Å; D463-S465 VanDerWaalsContact OD1-CB 3.27Å; D463-S465 WeakPolarHBondContact OD1-CB 3.33Å; D463-S465 PolarHBondContact OD1-N 2.85Å; D463-S465 PolarHBondContact OD1-OG 3.5Å; D463-S465 PolarHBondContact OD2-OG 3.15Å; S465-R493 VanDerWaalsContact O-CB 3.3Å; S465-R493 WeakPolarHBondContact O-CB 3.43Å; S465-R493 WeakPolarHBondContact O-CG 3.43Å
466	L	89.4	Confident	89.3	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-45.1	179.3	-60.3	-177	0	0	0	111.2	R40 V41 Q44 P460 D463 R493	R40-L466 HydrophobicContact CB-CD1 4.1Å; R40-L466 HydrophobicContact CB-CD2 4.42Å; R40-L466 WeakPolarHBondContact O-CD1 3.1Å; V41-L466 HydrophobicContact CG2-CD2 4.09Å; Q44-L466 HydrophobicContact CG-CB 4.28Å; Q44-L466 PolarHBondContact NE2-O 3.38Å; P460-L466 HydrophobicContact CB-CD1 4.13Å; D463-L466 HydrophobicContact CB-CB 4.34Å; D463-L466 HydrophobicContact CB-CD1 4.12Å; D463-L466 HydrophobicContact CB-CG 4.06Å; D463-L466 PolarHBondContact O-N 3.13Å; L466-R493 PolarHBondContact O-N 3.05Å
467	F	92.8	Very high	89.3	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147	-173.8	-60.3	-77.7	0	0	0	112.4	Q44 Y461 D463 L464 Y469 F490 Y491 K499 F500	Q44-F467 HydrophobicContact CB-CZ 4.44Å; Q44-F467 HydrophobicContact CG-CE1 4.22Å; Q44-F467 HydrophobicContact CG-CZ 4.07Å; Y461-F467 HydrophobicContact CD1-CE2 4.01Å; Y461-F467 HydrophobicContact CD1-CZ 4.22Å; D463-F467 PolarHBondContact O-N 3.13Å; L464-F467 CarbonylContact C-O 3.58Å; L464-F467 WeakPolarHBondContact CA-O 3.3Å; F467-Y469 HydrophobicContact CB-CD1 4.17Å; F467-F490 HydrophobicContact CB-CD1 4.09Å; F467-F490 HydrophobicContact CD1-CB 4.23Å; F467-F490 HydrophobicContact CG-CD1 4.4Å; F467-Y491 CarbonylContact C-O 3.44Å; F467-Y491 WeakPolarHBondContact CA-O 3.3Å; F467-K499 HydrophobicContact CE1-CB 4.21Å; F467-K499 HydrophobicContact CE1-CG 4.2Å; F467-F500 HydrophobicContact CD1-CE1 4.03Å; F467-F500 HydrophobicContact CE1-CD1 4.3Å; F467-F500 AromaticContact CE1-CE1 3.67Å; F467-F500 HydrophobicContact CE1-CE1 3.67Å; F467-F500 HydrophobicContact CE2-CE1 4.49Å; F467-F500 AromaticContact CZ-CE1 3.91Å; F467-F500 HydrophobicContact CZ-CE1 3.91Å
468	S	94.3	Very high	89.3	Confident	34 Å²	34	29 Å²	29	24%	0.238	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118	167.1	-169.8	0	0	0	0	107.5	Y491 R493	S468-Y491 PolarHBondContact N-O 3.28Å; S468-Y491 PolarHBondContact O-N 3.25Å; S468-R493 VanDerWaalsContact OG-CZ 3.29Å; S468-R493 PolarHBondContact OG-NH1 2.94Å; S468-R493 PolarHBondContact OG-NH2 3.14Å
469	Y	93.2	Very high	89.5	Confident	18 Å²	18	32.8 Å²	32.8	7%	0.071	16%	0.16	C	C	.	.			trans	-142.3	169.8	175.9	59.4	-96.9	0	0	0	108.9	L462 L464 F467 V474 F490	L462-Y469 PolarHBondContact O-OH 3.33Å; L464-Y469 HydrophobicContact CD2-CD1 4.28Å; L464-Y469 HydrophobicContact CD2-CE1 3.65Å; L464-Y469 HydrophobicContact CD2-CE2 4.12Å; L464-Y469 HydrophobicContact CG-CE1 4.42Å; F467-Y469 HydrophobicContact CB-CD1 4.17Å; Y469-V474 HydrophobicContact CD2-CG1 3.58Å; Y469-V474 HydrophobicContact CE2-CG1 3.96Å; Y469-V474 WeakPolarHBondContact CE2-O 3.48Å; Y469-V474 HydrophobicContact CG-CG1 4.27Å; Y469-F490 AromaticContact CD1-CD1 3.68Å; Y469-F490 HydrophobicContact CD1-CD1 3.68Å; Y469-F490 AromaticContact CD1-CE1 3.52Å; Y469-F490 HydrophobicContact CD1-CE1 3.52Å; Y469-F490 HydrophobicContact CE1-CE1 4.19Å; Y469-F490 HydrophobicContact CG-CD1 4.02Å; Y469-F490 AromaticContact CG-CE1 3.72Å; Y469-F490 HydrophobicContact CG-CE1 3.72Å; Y469-F490 HydrophobicContact CG-CZ 4.36Å
470	D	89.4	Confident	89.5	Confident	82 Å²	82	35.2 Å²	35.2	44%	0.439	18%	0.176	S	C	.	.			trans	-90.4	112	178.7	-179.4	-2	0	0	0	110.9	K472 W473 V474	D470-K472 PolarHBondContact O-N 3.41Å; D470-K472 VanDerWaalsContact O-N 3.13Å; D470-K472 WeakPolarHBondContact OD1-CB 3.2Å; D470-K472 PolarHBondContact OD1-N 3.28Å; D470-W473 PolarHBondContact O-N 2.96Å; D470-W473 VanDerWaalsContact O-N 3.15Å; D470-W473 VanDerWaalsContact OD2-CD1 3.25Å; D470-W473 PolarHBondContact OD2-NE1 3.48Å; D470-V474 PolarHBondContact O-N 3.32Å
471	D	86.4	Confident	89.5	Confident	59 Å²	59	36.7 Å²	36.7	32%	0.316	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.8	-175.6	-165.7	64.6	0	0	0	113.9	W473 V474 S475 K481	D471-W473 VanDerWaalsContact C-N 3.31Å; D471-V474 CarbonylContact C-O 3.57Å; D471-V474 WeakPolarHBondContact CA-O 3.35Å; D471-S475 VanDerWaalsContact OD1-CA 3.28Å; D471-S475 WeakPolarHBondContact OD1-CA 3.32Å; D471-S475 WeakPolarHBondContact OD1-CB 3.28Å; D471-K481 PolarHBondContact O-NZ 3.09Å; D471-K481 VanDerWaalsContact O-NZ 3.1Å
472	K	87.8	Confident	89.3	Confident	128 Å²	128	39.1 Å²	39.1	56%	0.557	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-37.8	173.6	-175.5	-178.8	173.8	-174.8	0	111.7	D470	D470-K472 PolarHBondContact O-N 3.41Å; D470-K472 VanDerWaalsContact O-N 3.13Å; D470-K472 WeakPolarHBondContact OD1-CB 3.2Å; D470-K472 PolarHBondContact OD1-N 3.28Å
473	W	88	Confident	88.9	Confident	69 Å²	69	40.1 Å²	40.1	26%	0.261	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-30.9	-173.4	-53	111	0	0	0	112.9	D470 D471 K481 T482 G484 I488 F521	D470-W473 PolarHBondContact O-N 2.96Å; D470-W473 VanDerWaalsContact O-N 3.15Å; D470-W473 VanDerWaalsContact OD2-CD1 3.25Å; D470-W473 PolarHBondContact OD2-NE1 3.48Å; D471-W473 VanDerWaalsContact C-N 3.31Å; W473-K481 VanDerWaalsContact O-CB 3.27Å; W473-K481 WeakPolarHBondContact O-CB 3.41Å; W473-T482 VanDerWaalsContact CE3-O 3.25Å; W473-G484 VanDerWaalsContact CZ3-CA 3.44Å; W473-I488 HydrophobicContact CB-CD1 3.68Å; W473-I488 HydrophobicContact CB-CG1 3.91Å; W473-F521 WeakPolarHBondContact O-CE2 3.37Å
474	V	91	Very high	88.2	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.006	21%	0.208	C	C	.	.			trans	-147.1	140.3	178.4	63.1	0	0	0	0	109.1	L462 Y469 D470 D471 I488 F490 F521 F523	L462-V474 HydrophobicContact CD2-CG2 3.71Å; Y469-V474 HydrophobicContact CD2-CG1 3.58Å; Y469-V474 HydrophobicContact CE2-CG1 3.96Å; Y469-V474 WeakPolarHBondContact CE2-O 3.48Å; Y469-V474 HydrophobicContact CG-CG1 4.27Å; D470-V474 PolarHBondContact O-N 3.32Å; D471-V474 CarbonylContact C-O 3.57Å; D471-V474 WeakPolarHBondContact CA-O 3.35Å; V474-I488 HydrophobicContact CB-CD1 4.1Å; V474-I488 HydrophobicContact CG1-CD1 4.32Å; V474-I488 HydrophobicContact CG1-CG2 3.78Å; V474-F490 HydrophobicContact CG1-CZ 3.87Å; V474-F521 HydrophobicContact CB-CD2 4.3Å; V474-F521 HydrophobicContact CB-CE2 4.18Å; V474-F521 HydrophobicContact CG2-CD2 3.93Å; V474-F521 HydrophobicContact CG2-CE2 4.27Å; V474-F521 HydrophobicContact CG2-CG 4.16Å; V474-F523 HydrophobicContact CG2-CE2 3.88Å; V474-F523 HydrophobicContact CG2-CZ 4.2Å
475	S	89.1	Confident	87.4	Confident	13 Å²	13	44.9 Å²	44.9	9%	0.091	23%	0.233	C	C	.	.			trans	-143.3	162.9	179.2	67.6	0	0	0	0	112.7	D471 M477 K481	D471-S475 VanDerWaalsContact OD1-CA 3.28Å; D471-S475 WeakPolarHBondContact OD1-CA 3.32Å; D471-S475 WeakPolarHBondContact OD1-CB 3.28Å; S475-M477 PolarHBondContact O-N 3.05Å; S475-M477 PolarHBondContact OG-O 3.38Å; S475-K481 WeakPolarHBondContact OG-CE 3.37Å; S475-K481 PolarHBondContact OG-NZ 2.91Å; S475-K481 VanDerWaalsContact OG-NZ 3.1Å
476	V	88.4	Confident	87.2	Confident	17 Å²	17	50.8 Å²	50.8	10%	0.103	26%	0.256	C	S	.	.	S	Bend	trans	-59.7	-32.8	173	-173.2	0	0	0	0	111.7	C411 Y456 S457 L462 E478	C411-V476 HydrophobicContact CB-CG2 4.42Å; Y456-V476 CarbonylContact C-O 3.5Å; Y456-V476 WeakPolarHBondContact CA-O 3.31Å; Y456-V476 HydrophobicContact CD1-CB 4.48Å; Y456-V476 HydrophobicContact CD1-CG1 4.12Å; S457-V476 PolarHBondContact N-O 2.99Å; S457-V476 WeakPolarHBondContact O-CG1 3.43Å; L462-V476 HydrophobicContact CB-CG2 4.11Å; L462-V476 WeakPolarHBondContact O-CG2 3.49Å; V476-E478 PolarHBondContact O-N 2.87Å
477	M	88.4	Confident	87.1	Confident	59 Å²	59	52.5 Å²	52.5	29%	0.291	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-72.9	125.1	174.8	-178.1	172.1	66.7	0	0	110.1	Y456 S475 R479	Y456-M477 HydrophobicContact CD1-CB 4.05Å; Y456-M477 HydrophobicContact CE1-CB 3.88Å; Y456-M477 HydrophobicContact CE1-CG 4.36Å; S475-M477 PolarHBondContact O-N 3.05Å; S475-M477 PolarHBondContact OG-O 3.38Å; M477-R479 HydrophobicContact CE-CB 4.43Å; M477-R479 HydrophobicContact CE-CG 4.36Å; M477-R479 HydrophobicContact CG-CG 4.11Å; M477-R479 PolarHBondContact O-N 3.28Å; M477-R479 HydrophobicContact SD-CG 4.42Å
478	E	86.4	Confident	87	Confident	43 Å²	43	53.1 Å²	53.1	20%	0.201	27%	0.271	C	S	.	.			trans	-76.3	65.4	-177.9	-65.1	179.4	179.9	0	0	111.3	K64 S455 V476	K64-E478 WeakPolarHBondContact CD-OE2 3.29Å; K64-E478 WeakPolarHBondContact CE-OE1 3.28Å; K64-E478 VanDerWaalsContact CE-OE2 3.29Å; K64-E478 WeakPolarHBondContact CE-OE2 3.29Å; K64-E478 IonicContact NZ-OE1 3.06Å; K64-E478 PolarHBondContact NZ-OE1 2.91Å; K64-E478 IonicContact NZ-OE2 3.38Å; K64-E478 PolarHBondContact NZ-OE2 2.87Å; S455-E478 PolarHBondContact O-N 3.23Å; V476-E478 PolarHBondContact O-N 2.87Å
479	R	86.6	Confident	87	Confident	98 Å²	98	57.5 Å²	57.5	37%	0.37	28%	0.282	S	S	.	.	S	Bend	trans	-123.7	146.6	172.5	-74.3	-163.5	-177.2	173.6	1.4	111.2	M477 K481	M477-R479 HydrophobicContact CE-CB 4.43Å; M477-R479 HydrophobicContact CE-CG 4.36Å; M477-R479 HydrophobicContact CG-CG 4.11Å; M477-R479 PolarHBondContact O-N 3.28Å; M477-R479 HydrophobicContact SD-CG 4.42Å; R479-K481 PolarHBondContact O-N 2.95Å
480	P	88.4	Confident	87.1	Confident	55 Å²	55	56.7 Å²	56.7	36%	0.357	28%	0.279	S	S	.	.			trans	-55.7	133.4	174.4	-24	33.4	0	0	0	111.6	L518 V519 A520	P480-L518 HydrophobicContact CB-CB 4.09Å; P480-L518 HydrophobicContact CB-CD1 4.38Å; P480-V519 CarbonylContact C-O 3.51Å; P480-V519 WeakPolarHBondContact CA-O 3.39Å; P480-A520 HydrophobicContact CG-CB 4.43Å
481	K	90.1	Very high	87.4	Confident	37 Å²	37	56.8 Å²	56.8	16%	0.161	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	160.9	176.4	-65.1	-68.2	-177.2	146.3	0	110	D471 W473 S475 R479 C483 L518 V519	D471-K481 PolarHBondContact O-NZ 3.09Å; D471-K481 VanDerWaalsContact O-NZ 3.1Å; W473-K481 VanDerWaalsContact O-CB 3.27Å; W473-K481 WeakPolarHBondContact O-CB 3.41Å; S475-K481 WeakPolarHBondContact OG-CE 3.37Å; S475-K481 PolarHBondContact OG-NZ 2.91Å; S475-K481 VanDerWaalsContact OG-NZ 3.1Å; R479-K481 PolarHBondContact O-N 2.95Å; K481-C483 PolarHBondContact O-N 3.3Å; K481-L518 CarbonylContact O-C 3.5Å; K481-L518 VanDerWaalsContact O-CA 3.24Å; K481-L518 WeakPolarHBondContact O-CA 3.27Å; K481-V519 PolarHBondContact N-O 2.87Å; K481-V519 PolarHBondContact O-N 3.06Å
482	T	86.3	Confident	87.7	Confident	51 Å²	51	54 Å²	54	31%	0.313	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	131.8	170.7	48.7	0	0	0	0	109.4	W473 G484 L518	W473-T482 VanDerWaalsContact CE3-O 3.25Å; T482-G484 PolarHBondContact O-N 2.89Å; T482-L518 HydrophobicContact CG2-CD2 4.34Å
483	C	82	Confident	87.8	Confident	25 Å²	25	51 Å²	51	17%	0.169	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-73	122.8	173.5	-174.3	0	0	0	0	109.3	K481 R517 V519 Q534	K481-C483 PolarHBondContact O-N 3.3Å; C483-R517 HydrophobicContact CB-CB 3.99Å; C483-R517 PolarHBondContact N-O 3.41Å; C483-V519 HydrophobicContact CB-CB 4.38Å; C483-V519 HydrophobicContact CB-CG1 4.18Å; C483-Q534 PolarHBondContact SG-NE2 3.05Å
484	G	75.8	Confident	87.7	Confident	14 Å²	14	49.3 Å²	49.3	14%	0.144	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-85.3	158.8	169.7	0	0	0	0	0	111.6	W473 T482	W473-G484 VanDerWaalsContact CZ3-CA 3.44Å; T482-G484 PolarHBondContact O-N 2.89Å
485	D	73.6	Confident	87.6	Confident	107 Å²	107	49.8 Å²	49.8	57%	0.572	24%	0.244	S	C	*	.	S	Bend	trans	-80.6	-27.5	176.5	-57.8	-44.6	0	0	0	112.3
486	H	83.5	Confident	87.5	Confident	156 Å²	156	51.5 Å²	51.5	72%	0.722	26%	0.263	S	S	*	.	S	Bend	trans	-93.6	150.5	-178	-60.6	98.5	0	0	0	111.4
487	P	87.4	Confident	87.7	Confident	36 Å²	36	54.4 Å²	54.4	23%	0.234	28%	0.277	C	S	.	.			trans	-57.2	141.5	171.7	18.6	-28.4	0	0	0	111.4	R489 E501 Q503	P487-R489 PolarHBondContact O-N 2.82Å; P487-E501 HydrophobicContact CB-CB 3.97Å; P487-E501 VanDerWaalsContact CB-OE2 3.3Å; P487-E501 WeakPolarHBondContact CB-OE2 3.4Å; P487-E501 WeakPolarHBondContact CG-OE2 3.46Å; P487-Q503 VanDerWaalsContact CA-OE1 3.27Å; P487-Q503 VanDerWaalsContact CB-OE1 3.24Å
488	I	92.1	Very high	87.9	Confident	14 Å²	14	55.3 Å²	55.3	7%	0.072	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	114.9	174.6	-54.1	174.5	0	0	0	107.9	W473 V474 F490 E501 I502 F521	W473-I488 HydrophobicContact CB-CD1 3.68Å; W473-I488 HydrophobicContact CB-CG1 3.91Å; V474-I488 HydrophobicContact CB-CD1 4.1Å; V474-I488 HydrophobicContact CG1-CD1 4.32Å; V474-I488 HydrophobicContact CG1-CG2 3.78Å; I488-F490 HydrophobicContact CB-CE2 4.2Å; I488-F490 HydrophobicContact CG2-CD2 4.39Å; I488-F490 HydrophobicContact CG2-CE2 3.71Å; I488-F490 HydrophobicContact CG2-CZ 4.21Å; I488-F490 WeakPolarHBondContact O-CD2 3.11Å; I488-E501 CarbonylContact O-C 3.56Å; I488-E501 VanDerWaalsContact O-CA 3.28Å; I488-E501 WeakPolarHBondContact O-CA 3.43Å; I488-I502 HydrophobicContact CB-CB 4.42Å; I488-I502 PolarHBondContact N-O 3.14Å; I488-I502 PolarHBondContact O-N 3.33Å; I488-F521 HydrophobicContact CD1-CE1 4.48Å; I488-F521 HydrophobicContact CD1-CE2 4.23Å; I488-F521 HydrophobicContact CD1-CZ 3.68Å
489	R	93.5	Very high	88.1	Confident	126 Å²	126	54.8 Å²	54.8	48%	0.475	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	131.4	-175.8	-62.7	-169.1	169.5	146.9	4.1	112.4	P487 Y491 L498 E501	P487-R489 PolarHBondContact O-N 2.82Å; R489-Y491 HydrophobicContact CB-CD2 4.35Å; R489-Y491 HydrophobicContact CB-CE2 3.59Å; R489-Y491 VanDerWaalsContact CD-OH 3.22Å; R489-Y491 WeakPolarHBondContact CD-OH 3.35Å; R489-L498 HydrophobicContact CB-CD1 3.75Å; R489-L498 HydrophobicContact CG-CD1 4.15Å; R489-E501 WeakPolarHBondContact CD-OE1 3.32Å; R489-E501 HydrophobicContact CG-CG 4.05Å; R489-E501 VanDerWaalsContact CG-OE1 3.32Å; R489-E501 WeakPolarHBondContact CG-OE1 3.31Å; R489-E501 IonicContact CZ-OE1 3.72Å; R489-E501 IonicContact NE-OE1 2.77Å; R489-E501 PolarHBondContact NE-OE1 2.97Å; R489-E501 IonicContact NH2-OE1 3.88Å
490	F	95.4	Very high	88.4	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	111	176.3	-69.9	-103.8	0	0	0	110.5	L462 F467 Y469 V474 I488 K499 F500 I502	L462-F490 HydrophobicContact CD2-CE1 4.45Å; F467-F490 HydrophobicContact CB-CD1 4.09Å; F467-F490 HydrophobicContact CD1-CB 4.23Å; F467-F490 HydrophobicContact CG-CD1 4.4Å; Y469-F490 AromaticContact CD1-CD1 3.68Å; Y469-F490 HydrophobicContact CD1-CD1 3.68Å; Y469-F490 AromaticContact CD1-CE1 3.52Å; Y469-F490 HydrophobicContact CD1-CE1 3.52Å; Y469-F490 HydrophobicContact CE1-CE1 4.19Å; Y469-F490 HydrophobicContact CG-CD1 4.02Å; Y469-F490 AromaticContact CG-CE1 3.72Å; Y469-F490 HydrophobicContact CG-CE1 3.72Å; Y469-F490 HydrophobicContact CG-CZ 4.36Å; V474-F490 HydrophobicContact CG1-CZ 3.87Å; I488-F490 HydrophobicContact CB-CE2 4.2Å; I488-F490 HydrophobicContact CG2-CD2 4.39Å; I488-F490 HydrophobicContact CG2-CE2 3.71Å; I488-F490 HydrophobicContact CG2-CZ 4.21Å; I488-F490 WeakPolarHBondContact O-CD2 3.11Å; F490-K499 PolarHBondContact O-N 3.11Å; F490-F500 HydrophobicContact CB-CD1 3.82Å; F490-F500 HydrophobicContact CB-CD2 4.26Å; F490-F500 HydrophobicContact CB-CE1 3.51Å; F490-F500 HydrophobicContact CB-CE2 3.98Å; F490-F500 HydrophobicContact CB-CG 4.18Å; F490-F500 HydrophobicContact CB-CZ 3.6Å; F490-F500 HydrophobicContact CD1-CE1 4.14Å; F490-F500 HydrophobicContact CD1-CE2 4.01Å; F490-F500 AromaticContact CD1-CZ 3.5Å; F490-F500 HydrophobicContact CD1-CZ 3.5Å; F490-F500 VanDerWaalsContact CD1-CZ 3.5Å; F490-F500 AromaticContact CD2-CD2 3.87Å; F490-F500 HydrophobicContact CD2-CD2 3.87Å; F490-F500 HydrophobicContact CD2-CE1 4.47Å; F490-F500 AromaticContact CD2-CE2 3.39Å; F490-F500 HydrophobicContact CD2-CE2 3.39Å; F490-F500 AromaticContact CD2-CZ 3.74Å; F490-F500 HydrophobicContact CD2-CZ 3.74Å; F490-F500 HydrophobicContact CE1-CE2 4.33Å; F490-F500 HydrophobicContact CE1-CZ 4.05Å; F490-F500 HydrophobicContact CE2-CD2 4.49Å; F490-F500 AromaticContact CE2-CE2 3.78Å; F490-F500 HydrophobicContact CE2-CE2 3.78Å; F490-F500 HydrophobicContact CE2-CZ 4.27Å; F490-F500 HydrophobicContact CG-CD1 4.41Å; F490-F500 HydrophobicContact CG-CD2 4.16Å; F490-F500 AromaticContact CG-CE1 3.82Å; F490-F500 HydrophobicContact CG-CE1 3.82Å; F490-F500 AromaticContact CG-CE2 3.52Å; F490-F500 HydrophobicContact CG-CE2 3.52Å; F490-F500 AromaticContact CG-CZ 3.33Å; F490-F500 HydrophobicContact CG-CZ 3.33Å; F490-F500 HydrophobicContact CZ-CE2 4.22Å; F490-F500 HydrophobicContact CZ-CZ 4.4Å; F490-F500 PolarHBondContact N-O 3.41Å; F490-I502 HydrophobicContact CD2-CG1 4.46Å; F490-I502 HydrophobicContact CE2-CB 4.16Å; F490-I502 HydrophobicContact CE2-CD1 3.71Å; F490-I502 HydrophobicContact CE2-CG1 3.87Å; F490-I502 HydrophobicContact CZ-CD1 3.97Å
491	Y	94.8	Very high	88.6	Confident	84 Å²	84	50.2 Å²	50.2	33%	0.329	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.6	177.8	-57.6	-94	0	0	0	110.6	F467 S468 R489 R493 L497 L498	F467-Y491 CarbonylContact C-O 3.44Å; F467-Y491 WeakPolarHBondContact CA-O 3.3Å; S468-Y491 PolarHBondContact N-O 3.28Å; S468-Y491 PolarHBondContact O-N 3.25Å; R489-Y491 HydrophobicContact CB-CD2 4.35Å; R489-Y491 HydrophobicContact CB-CE2 3.59Å; R489-Y491 VanDerWaalsContact CD-OH 3.22Å; R489-Y491 WeakPolarHBondContact CD-OH 3.35Å; Y491-R493 PolarHBondContact O-N 3.06Å; Y491-L497 CarbonylContact C-O 3.53Å; Y491-L497 VanDerWaalsContact CA-O 3.32Å; Y491-L497 WeakPolarHBondContact CA-O 3.34Å; Y491-L498 HydrophobicContact CD1-CB 3.99Å; Y491-L498 HydrophobicContact CD1-CD1 4.24Å; Y491-L498 HydrophobicContact CE1-CB 3.92Å; Y491-L498 HydrophobicContact CE1-CD1 4.01Å
492	A	92.8	Very high	88.6	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	131.1	176.4	0	0	0	0	0	111.4	Q44 D494 S495 G496 L497 K499	Q44-A492 HydrophobicContact CG-CB 4.5Å; A492-D494 WeakPolarHBondContact CB-OD1 3.44Å; A492-D494 PolarHBondContact O-N 2.96Å; A492-S495 PolarHBondContact O-N 3.15Å; A492-G496 VanDerWaalsContact O-CA 3.25Å; A492-G496 WeakPolarHBondContact O-CA 3.38Å; A492-G496 PolarHBondContact O-N 2.88Å; A492-L497 PolarHBondContact N-O 3.09Å; A492-K499 HydrophobicContact CB-CD 4.2Å; A492-K499 VanDerWaalsContact CB-CE 3.48Å; A492-K499 HydrophobicContact CB-CG 3.65Å
493	R	89.9	Confident	88.6	Confident	64 Å²	64	46.6 Å²	46.6	24%	0.242	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.2	179.1	-72	-71.1	-168.8	-164.5	-4.9	113.4	R11 F418 L464 S465 L466 S468 Y491	R11-R493 VanDerWaalsContact CZ-O 3.32Å; R11-R493 PolarHBondContact NH1-O 3.06Å; R11-R493 PolarHBondContact NH2-O 2.73Å; F418-R493 HydrophobicContact CE2-CG 4.29Å; F418-R493 HydrophobicContact CZ-CG 4.46Å; L464-R493 PolarHBondContact O-NE 2.9Å; S465-R493 VanDerWaalsContact O-CB 3.3Å; S465-R493 WeakPolarHBondContact O-CB 3.43Å; S465-R493 WeakPolarHBondContact O-CG 3.43Å; L466-R493 PolarHBondContact O-N 3.05Å; S468-R493 VanDerWaalsContact OG-CZ 3.29Å; S468-R493 PolarHBondContact OG-NH1 2.94Å; S468-R493 PolarHBondContact OG-NH2 3.14Å; Y491-R493 PolarHBondContact O-N 3.06Å
494	D	86.7	Confident	88.5	Confident	35 Å²	35	45.6 Å²	45.6	19%	0.187	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-30.6	-177.9	76.5	-32.7	0	0	0	113.1	R11 Q16 R21 Q44 A492	R11-D494 PolarHBondContact NE-O 3.36Å; R11-D494 VanDerWaalsContact NH2-C 3.27Å; R11-D494 PolarHBondContact NH2-O 3.23Å; Q16-D494 PolarHBondContact NE2-OD2 2.61Å; R21-D494 IonicContact CZ-OD2 3.46Å; R21-D494 IonicContact NH1-OD2 2.77Å; R21-D494 IonicContact NH2-OD2 3.63Å; R21-D494 PolarHBondContact NH2-OD2 2.66Å; Q44-D494 PolarHBondContact OE1-OD2 2.74Å; A492-D494 WeakPolarHBondContact CB-OD1 3.44Å; A492-D494 PolarHBondContact O-N 2.96Å
495	S	87.6	Confident	88.2	Confident	11 Å²	11	45.3 Å²	45.3	8%	0.077	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-21.6	-168.4	51.8	0	0	0	0	113.3	A492 L497	A492-S495 PolarHBondContact O-N 3.15Å; S495-L497 PolarHBondContact O-N 3.41Å
496	G	88.5	Confident	87.8	Confident	48 Å²	48	41.7 Å²	41.7	50%	0.495	21%	0.209	S	C	.	.			trans	76.5	0.9	-173.1	0	0	0	0	0	113.7	A492	A492-G496 VanDerWaalsContact O-CA 3.25Å; A492-G496 WeakPolarHBondContact O-CA 3.38Å; A492-G496 PolarHBondContact O-N 2.88Å
497	L	91.4	Very high	86.5	Confident	78 Å²	78	39.2 Å²	39.2	41%	0.408	20%	0.201	S	C	.	.			trans	-75	140.6	-178.4	-62	173.4	0	0	0	110.6	Q16 Y491 A492 S495 K499	Q16-L497 HydrophobicContact CG-CD1 4.13Å; Y491-L497 CarbonylContact C-O 3.53Å; Y491-L497 VanDerWaalsContact CA-O 3.32Å; Y491-L497 WeakPolarHBondContact CA-O 3.34Å; A492-L497 PolarHBondContact N-O 3.09Å; S495-L497 PolarHBondContact O-N 3.41Å; L497-K499 PolarHBondContact O-N 3.02Å
498	L	92.6	Very high	84.7	Confident	79 Å²	79	41.4 Å²	41.4	41%	0.414	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	124.1	166.1	-179.1	64.6	0	0	0	108.3	R489 Y491 E501	R489-L498 HydrophobicContact CB-CD1 3.75Å; R489-L498 HydrophobicContact CG-CD1 4.15Å; Y491-L498 HydrophobicContact CD1-CB 3.99Å; Y491-L498 HydrophobicContact CD1-CD1 4.24Å; Y491-L498 HydrophobicContact CE1-CB 3.92Å; Y491-L498 HydrophobicContact CE1-CD1 4.01Å; L498-E501 HydrophobicContact CD1-CG 4.15Å; L498-E501 HydrophobicContact CD2-CG 4.25Å; L498-E501 WeakPolarHBondContact CD2-OE1 3.43Å
499	K	91.9	Very high	83	Confident	31 Å²	31	47 Å²	47	14%	0.135	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-51.2	179.7	-68.7	-63.5	-173.4	159.2	0	111.4	Q44 F47 F467 F490 A492 L497	Q44-K499 WeakPolarHBondContact O-CD 3.47Å; Q44-K499 VanDerWaalsContact O-CE 3.26Å; Q44-K499 WeakPolarHBondContact O-CE 3.38Å; Q44-K499 PolarHBondContact O-NZ 2.64Å; F47-K499 HydrophobicContact CD1-CB 4.18Å; F47-K499 HydrophobicContact CE1-CB 4.15Å; F47-K499 HydrophobicContact CE1-CD 3.96Å; F47-K499 WeakPolarHBondContact CE2-O 3.43Å; F47-K499 HydrophobicContact CZ-CB 4.44Å; F47-K499 VanDerWaalsContact CZ-O 3.28Å; F47-K499 WeakPolarHBondContact CZ-O 3.42Å; F467-K499 HydrophobicContact CE1-CB 4.21Å; F467-K499 HydrophobicContact CE1-CG 4.2Å; F490-K499 PolarHBondContact O-N 3.11Å; A492-K499 HydrophobicContact CB-CD 4.2Å; A492-K499 VanDerWaalsContact CB-CE 3.48Å; A492-K499 HydrophobicContact CB-CG 3.65Å; L497-K499 PolarHBondContact O-N 3.02Å
500	F	92.7	Very high	80.7	Confident	7 Å²	7	46.7 Å²	46.7	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	166.2	179.5	65.9	-80.7	0	0	0	111.7	F47 P48 Y461 F467 F490 I502	F47-F500 HydrophobicContact CB-CD1 3.55Å; F47-F500 HydrophobicContact CB-CE1 3.95Å; F47-F500 HydrophobicContact CB-CG 4.16Å; F47-F500 HydrophobicContact CD2-CB 3.65Å; F47-F500 HydrophobicContact CD2-CD1 4.11Å; F47-F500 HydrophobicContact CD2-CG 4.19Å; F47-F500 HydrophobicContact CE2-CB 4.19Å; F47-F500 HydrophobicContact CG-CB 4.32Å; F47-F500 AromaticContact CG-CD1 3.9Å; F47-F500 HydrophobicContact CG-CD1 3.9Å; F47-F500 HydrophobicContact CG-CG 4.41Å; P48-F500 HydrophobicContact CG-CD2 3.92Å; P48-F500 HydrophobicContact CG-CE2 3.86Å; P48-F500 HydrophobicContact CG-CZ 4.43Å; P48-F500 WeakPolarHBondContact O-CB 3.11Å; P48-F500 WeakPolarHBondContact O-CD2 3.17Å; P48-F500 WeakPolarHBondContact O-CG 3.41Å; Y461-F500 HydrophobicContact CD1-CE1 4.23Å; Y461-F500 HydrophobicContact CD1-CZ 4.13Å; F467-F500 HydrophobicContact CD1-CE1 4.03Å; F467-F500 HydrophobicContact CE1-CD1 4.3Å; F467-F500 AromaticContact CE1-CE1 3.67Å; F467-F500 HydrophobicContact CE1-CE1 3.67Å; F467-F500 HydrophobicContact CE2-CE1 4.49Å; F467-F500 AromaticContact CZ-CE1 3.91Å; F467-F500 HydrophobicContact CZ-CE1 3.91Å; F490-F500 HydrophobicContact CB-CD1 3.82Å; F490-F500 HydrophobicContact CB-CD2 4.26Å; F490-F500 HydrophobicContact CB-CE1 3.51Å; F490-F500 HydrophobicContact CB-CE2 3.98Å; F490-F500 HydrophobicContact CB-CG 4.18Å; F490-F500 HydrophobicContact CB-CZ 3.6Å; F490-F500 HydrophobicContact CD1-CE1 4.14Å; F490-F500 HydrophobicContact CD1-CE2 4.01Å; F490-F500 AromaticContact CD1-CZ 3.5Å; F490-F500 HydrophobicContact CD1-CZ 3.5Å; F490-F500 VanDerWaalsContact CD1-CZ 3.5Å; F490-F500 AromaticContact CD2-CD2 3.87Å; F490-F500 HydrophobicContact CD2-CD2 3.87Å; F490-F500 HydrophobicContact CD2-CE1 4.47Å; F490-F500 AromaticContact CD2-CE2 3.39Å; F490-F500 HydrophobicContact CD2-CE2 3.39Å; F490-F500 AromaticContact CD2-CZ 3.74Å; F490-F500 HydrophobicContact CD2-CZ 3.74Å; F490-F500 HydrophobicContact CE1-CE2 4.33Å; F490-F500 HydrophobicContact CE1-CZ 4.05Å; F490-F500 HydrophobicContact CE2-CD2 4.49Å; F490-F500 AromaticContact CE2-CE2 3.78Å; F490-F500 HydrophobicContact CE2-CE2 3.78Å; F490-F500 HydrophobicContact CE2-CZ 4.27Å; F490-F500 HydrophobicContact CG-CD1 4.41Å; F490-F500 HydrophobicContact CG-CD2 4.16Å; F490-F500 AromaticContact CG-CE1 3.82Å; F490-F500 HydrophobicContact CG-CE1 3.82Å; F490-F500 AromaticContact CG-CE2 3.52Å; F490-F500 HydrophobicContact CG-CE2 3.52Å; F490-F500 AromaticContact CG-CZ 3.33Å; F490-F500 HydrophobicContact CG-CZ 3.33Å; F490-F500 HydrophobicContact CZ-CE2 4.22Å; F490-F500 HydrophobicContact CZ-CZ 4.4Å; F490-F500 PolarHBondContact N-O 3.41Å; F500-I502 HydrophobicContact CD2-CD1 4.5Å; F500-I502 HydrophobicContact CD2-CG1 4.03Å; F500-I502 HydrophobicContact CE2-CD1 3.87Å; F500-I502 HydrophobicContact CE2-CG1 3.89Å
501	E	92.1	Very high	78.6	Confident	50 Å²	50	50.4 Å²	50.4	23%	0.234	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.9	177.8	-62	-163.5	163.6	0	0	109.6	P487 I488 R489 L498	P487-E501 HydrophobicContact CB-CB 3.97Å; P487-E501 VanDerWaalsContact CB-OE2 3.3Å; P487-E501 WeakPolarHBondContact CB-OE2 3.4Å; P487-E501 WeakPolarHBondContact CG-OE2 3.46Å; I488-E501 CarbonylContact O-C 3.56Å; I488-E501 VanDerWaalsContact O-CA 3.28Å; I488-E501 WeakPolarHBondContact O-CA 3.43Å; R489-E501 WeakPolarHBondContact CD-OE1 3.32Å; R489-E501 HydrophobicContact CG-CG 4.05Å; R489-E501 VanDerWaalsContact CG-OE1 3.32Å; R489-E501 WeakPolarHBondContact CG-OE1 3.31Å; R489-E501 IonicContact CZ-OE1 3.72Å; R489-E501 IonicContact NE-OE1 2.77Å; R489-E501 PolarHBondContact NE-OE1 2.97Å; R489-E501 IonicContact NH2-OE1 3.88Å; L498-E501 HydrophobicContact CD1-CG 4.15Å; L498-E501 HydrophobicContact CD2-CG 4.25Å; L498-E501 WeakPolarHBondContact CD2-OE1 3.43Å
502	I	90.4	Very high	76.4	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	114.4	173.8	-70.4	-177.1	0	0	0	108.3	I488 F490 F500 A504 F521 F523	I488-I502 HydrophobicContact CB-CB 4.42Å; I488-I502 PolarHBondContact N-O 3.14Å; I488-I502 PolarHBondContact O-N 3.33Å; F490-I502 HydrophobicContact CD2-CG1 4.46Å; F490-I502 HydrophobicContact CE2-CB 4.16Å; F490-I502 HydrophobicContact CE2-CD1 3.71Å; F490-I502 HydrophobicContact CE2-CG1 3.87Å; F490-I502 HydrophobicContact CZ-CD1 3.97Å; F500-I502 HydrophobicContact CD2-CD1 4.5Å; F500-I502 HydrophobicContact CD2-CG1 4.03Å; F500-I502 HydrophobicContact CE2-CD1 3.87Å; F500-I502 HydrophobicContact CE2-CG1 3.89Å; I502-A504 PolarHBondContact O-N 2.87Å; I502-F521 HydrophobicContact CG2-CE1 3.76Å; I502-F523 HydrophobicContact CD1-CE1 3.7Å; I502-F523 HydrophobicContact CD1-CZ 3.5Å; I502-F523 VanDerWaalsContact CD1-CZ 3.5Å
503	Q	86.1	Confident	74.6	Confident	10 Å²	10	60.3 Å²	60.3	5%	0.047	34%	0.336	C	S	.	.			trans	-91.8	94.6	176	-172.9	65.2	20.7	0	0	110	T51 I104 P487 G505 H545	T51-Q503 HydrophobicContact CG2-CB 4.32Å; I104-Q503 HydrophobicContact CD1-CB 4.2Å; I104-Q503 HydrophobicContact CD1-CG 4.25Å; P487-Q503 VanDerWaalsContact CA-OE1 3.27Å; P487-Q503 VanDerWaalsContact CB-OE1 3.24Å; Q503-G505 PolarHBondContact NE2-O 3.06Å; Q503-H545 PolarHBondContact O-CE1 3.48Å; Q503-H545 VanDerWaalsContact O-CE1 3.3Å
504	A	80.5	Confident	72.8	Confident	5 Å²	5	63.3 Å²	63.3	4%	0.041	36%	0.362	C	S	.	.			trans	-76.3	-47.9	174.2	0	0	0	0	0	111.6	I502 V519 F521 Q534 N543	I502-A504 PolarHBondContact O-N 2.87Å; A504-V519 HydrophobicContact CB-CG1 4.4Å; A504-V519 HydrophobicContact CB-CG2 4.12Å; A504-F521 HydrophobicContact CB-CE1 4.1Å; A504-F521 HydrophobicContact CB-CZ 3.79Å; A504-Q534 PolarHBondContact O-NE2 3.46Å; A504-N543 PolarHBondContact O-ND2 3.2Å
505	G	69.3	Low	71.5	Confident	7 Å²	7	65.5 Å²	65.5	7%	0.072	38%	0.377	C	S	.	.	S	Bend	trans	-68.8	148.1	-168.6	0	0	0	0	0	116.1	Q503 L507	Q503-G505 PolarHBondContact NE2-O 3.06Å; G505-L507 PolarHBondContact O-N 3.33Å
506	L	64.1	Low	70.4	Confident	31 Å²	31	75.5 Å²	75.5	16%	0.162	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-66.2	116.9	167.5	-83.3	121.4	0	0	0	110.5	G508 V541	L506-G508 PolarHBondContact O-N 3.32Å; L506-V541 HydrophobicContact CD1-CG2 4.31Å
507	L	56.3	Low	69.8	Low	105 Å²	105	76.8 Å²	76.8	55%	0.55	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	127	172.1	-67.2	163.8	0	0	0	110	G505	G505-L507 PolarHBondContact O-N 3.33Å
508	G	51.2	Low	69.6	Low	82 Å²	82	77 Å²	77	85%	0.845	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	5.8	162.6	0	0	0	0	0	118.9	L506	L506-G508 PolarHBondContact O-N 3.32Å
509	R	55.3	Low	69.5	Low	132 Å²	132	73.3 Å²	73.3	50%	0.498	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-98.5	130.6	171.2	-77.9	-171.3	177.9	-178.6	0.3	111.8	E539	R509-E539 IonicContact CZ-OE1 3.72Å; R509-E539 VanDerWaalsContact NH1-CD 3.3Å; R509-E539 IonicContact NH1-OE1 2.81Å; R509-E539 PolarHBondContact NH1-OE1 3.47Å; R509-E539 IonicContact NH1-OE2 2.77Å; R509-E539 PolarHBondContact NH1-OE2 3.42Å; R509-E539 IonicContact NH2-OE1 3.81Å; R509-E539 PolarHBondContact NH2-OE1 2.75Å
510	P	45.1	Very low	69.5	Low	119 Å²	119	73.5 Å²	73.5	77%	0.773	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-61.8	145.9	176.5	25.1	-31.6	0	0	0	111.3
511	I	51	Low	69.5	Low	78 Å²	78	74.3 Å²	74.3	40%	0.4	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-81.1	121.8	-171.8	-58.5	164.7	0	0	0	109.3	H513	I511-H513 PolarHBondContact O-N 3.08Å
512	N	49.8	Very low	69.6	Low	124 Å²	124	72.8 Å²	72.8	66%	0.663	39%	0.389	S	S	*	.			trans	-81.7	101.5	154.1	-80.6	-18.1	0	0	0	107.4	T514 V515	N512-T514 PolarHBondContact O-N 2.7Å; N512-V515 PolarHBondContact O-N 2.84Å
513	H	54	Low	69.7	Low	168 Å²	168	73.1 Å²	73.1	78%	0.778	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-5.5	-179.1	-69.7	-76.3	0	0	0	114	I511	I511-H513 PolarHBondContact O-N 3.08Å
514	T	51.6	Low	70.1	Confident	127 Å²	127	73 Å²	73	78%	0.779	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.7	-177.4	51.5	0	0	0	0	113.9	N512	N512-T514 PolarHBondContact O-N 2.7Å
515	V	59.5	Low	70.5	Confident	82 Å²	82	73.4 Å²	73.4	50%	0.497	39%	0.393	S	S	.	.	S	Bend	trans	-122.6	115.3	-176.6	-173.8	0	0	0	0	111.2	N512 R517	N512-V515 PolarHBondContact O-N 2.84Å; V515-R517 PolarHBondContact O-N 2.95Å
516	R	65.2	Low	71.3	Confident	221 Å²	221	77.1 Å²	77.1	83%	0.834	41%	0.407	S	S	*	.			trans	-67	112.4	173	-71.2	-177.6	-179.9	178.2	0.9	109.5
517	R	76.8	Confident	72.6	Confident	74 Å²	74	78.7 Å²	78.7	28%	0.279	41%	0.413	S	S	.	.			trans	-76.1	130	172.2	-64.3	-176.2	-175.4	165.3	3.6	109.7	C483 V515 T536	C483-R517 HydrophobicContact CB-CB 3.99Å; C483-R517 PolarHBondContact N-O 3.41Å; V515-R517 PolarHBondContact O-N 2.95Å; R517-T536 HydrophobicContact CG-CG2 4.12Å
518	L	87	Confident	74.3	Confident	83 Å²	83	74 Å²	74	44%	0.435	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.8	175.4	-62.4	177.1	0	0	0	110.1	P480 K481 T482	P480-L518 HydrophobicContact CB-CB 4.09Å; P480-L518 HydrophobicContact CB-CD1 4.38Å; K481-L518 CarbonylContact O-C 3.5Å; K481-L518 VanDerWaalsContact O-CA 3.24Å; K481-L518 WeakPolarHBondContact O-CA 3.27Å; T482-L518 HydrophobicContact CG2-CD2 4.34Å
519	V	89.8	Confident	76.4	Confident	1 Å²	1	70 Å²	70	1%	0.006	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.8	175.8	60.7	0	0	0	0	109.7	P480 K481 C483 A504 F521 V533 Q534	P480-V519 CarbonylContact C-O 3.51Å; P480-V519 WeakPolarHBondContact CA-O 3.39Å; K481-V519 PolarHBondContact N-O 2.87Å; K481-V519 PolarHBondContact O-N 3.06Å; C483-V519 HydrophobicContact CB-CB 4.38Å; C483-V519 HydrophobicContact CB-CG1 4.18Å; A504-V519 HydrophobicContact CB-CG1 4.4Å; A504-V519 HydrophobicContact CB-CG2 4.12Å; V519-F521 HydrophobicContact CB-CE2 4.44Å; V519-F521 HydrophobicContact CG1-CD2 4.41Å; V519-F521 HydrophobicContact CG1-CE2 3.55Å; V519-F521 HydrophobicContact CG1-CZ 3.83Å; V519-F521 HydrophobicContact CG2-CE1 4.27Å; V519-F521 HydrophobicContact CG2-CE2 4.12Å; V519-F521 HydrophobicContact CG2-CZ 3.96Å; V519-V533 CarbonylContact C-O 3.51Å; V519-V533 WeakPolarHBondContact CA-O 3.25Å; V519-Q534 HydrophobicContact CB-CG 4.02Å; V519-Q534 HydrophobicContact CG2-CG 3.92Å
520	A	91.5	Very high	78.3	Confident	35 Å²	35	63.8 Å²	63.8	29%	0.289	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	135.6	170.8	0	0	0	0	0	109.2	P480 S532 V533	P480-A520 HydrophobicContact CG-CB 4.43Å; A520-S532 WeakPolarHBondContact O-CA 3.47Å; A520-V533 PolarHBondContact N-O 3.47Å; A520-V533 PolarHBondContact O-N 3.01Å
521	F	93.4	Very high	80.6	Confident	24 Å²	24	58.1 Å²	58.1	11%	0.105	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.1	176.8	-65.8	-83.4	0	0	0	110.4	W473 V474 I488 I502 A504 V519 F523 I531	W473-F521 WeakPolarHBondContact O-CE2 3.37Å; V474-F521 HydrophobicContact CB-CD2 4.3Å; V474-F521 HydrophobicContact CB-CE2 4.18Å; V474-F521 HydrophobicContact CG2-CD2 3.93Å; V474-F521 HydrophobicContact CG2-CE2 4.27Å; V474-F521 HydrophobicContact CG2-CG 4.16Å; I488-F521 HydrophobicContact CD1-CE1 4.48Å; I488-F521 HydrophobicContact CD1-CE2 4.23Å; I488-F521 HydrophobicContact CD1-CZ 3.68Å; I502-F521 HydrophobicContact CG2-CE1 3.76Å; A504-F521 HydrophobicContact CB-CE1 4.1Å; A504-F521 HydrophobicContact CB-CZ 3.79Å; V519-F521 HydrophobicContact CB-CE2 4.44Å; V519-F521 HydrophobicContact CG1-CD2 4.41Å; V519-F521 HydrophobicContact CG1-CE2 3.55Å; V519-F521 HydrophobicContact CG1-CZ 3.83Å; V519-F521 HydrophobicContact CG2-CE1 4.27Å; V519-F521 HydrophobicContact CG2-CE2 4.12Å; V519-F521 HydrophobicContact CG2-CZ 3.96Å; F521-F523 HydrophobicContact CB-CD2 4.08Å; F521-F523 HydrophobicContact CB-CE2 3.72Å; F521-F523 HydrophobicContact CD1-CE2 4.33Å; F521-F523 HydrophobicContact CG-CE2 4.23Å; F521-I531 CarbonylContact C-O 3.56Å; F521-I531 WeakPolarHBondContact CA-O 2.97Å
522	T	93.8	Very high	82.7	Confident	18 Å²	18	54.4 Å²	54.4	11%	0.11	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	103.1	173.1	-53.2	0	0	0	0	108.1	F65 F72 A530 I531	F65-T522 HydrophobicContact CD2-CG2 3.73Å; F65-T522 HydrophobicContact CE2-CG2 3.97Å; F72-T522 HydrophobicContact CE2-CG2 4.13Å; T522-A530 CarbonylContact O-C 3.58Å; T522-A530 WeakPolarHBondContact O-CA 3.36Å; T522-I531 PolarHBondContact N-O 2.67Å; T522-I531 PolarHBondContact O-N 3.28Å
523	F	93.6	Very high	84.6	Confident	10 Å²	10	49.2 Å²	49.2	4%	0.044	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	141.8	177.3	-75.6	-102.8	0	0	0	110.3	L462 V474 I502 F521 A530	L462-F523 HydrophobicContact CD1-CD2 3.66Å; L462-F523 HydrophobicContact CD1-CE2 3.97Å; L462-F523 HydrophobicContact CD1-CG 4.14Å; L462-F523 HydrophobicContact CD2-CD2 4.22Å; L462-F523 HydrophobicContact CD2-CE1 4.31Å; L462-F523 HydrophobicContact CD2-CE2 3.73Å; L462-F523 HydrophobicContact CD2-CZ 3.78Å; L462-F523 HydrophobicContact CG-CD1 4.47Å; L462-F523 HydrophobicContact CG-CD2 4.04Å; L462-F523 HydrophobicContact CG-CE2 4.08Å; L462-F523 HydrophobicContact CG-CG 4.24Å; L462-F523 HydrophobicContact CG-CZ 4.32Å; V474-F523 HydrophobicContact CG2-CE2 3.88Å; V474-F523 HydrophobicContact CG2-CZ 4.2Å; I502-F523 HydrophobicContact CD1-CE1 3.7Å; I502-F523 HydrophobicContact CD1-CZ 3.5Å; I502-F523 VanDerWaalsContact CD1-CZ 3.5Å; F521-F523 HydrophobicContact CB-CD2 4.08Å; F521-F523 HydrophobicContact CB-CE2 3.72Å; F521-F523 HydrophobicContact CD1-CE2 4.33Å; F521-F523 HydrophobicContact CG-CE2 4.23Å; F523-A530 HydrophobicContact CB-CB 4.49Å; F523-A530 HydrophobicContact CD1-CB 3.54Å; F523-A530 HydrophobicContact CD2-CB 4.31Å; F523-A530 HydrophobicContact CE1-CB 3.71Å; F523-A530 HydrophobicContact CE2-CB 4.45Å; F523-A530 HydrophobicContact CG-CB 3.87Å; F523-A530 HydrophobicContact CZ-CB 4.17Å
524	H	93.3	Very high	86.3	Confident	6 Å²	6	41.3 Å²	41.3	3%	0.028	21%	0.205	C	C	.	.			trans	-63.9	140.5	169.3	-167.2	-88.8	0	0	0	109.7	F65 G69 Y87 S459 F526 E527 F529	F65-H524 AromaticContact CD1-CD2 3.71Å; F65-H524 AromaticContact CE1-CD2 3.63Å; F65-H524 HydrophobicContact CE2-CB 4.41Å; G69-H524 WeakPolarHBondContact CA-NE2 3.39Å; G69-H524 PolarHBondContact O-NE2 2.86Å; Y87-H524 AromaticContact CD1-CD2 3.68Å; Y87-H524 AromaticContact CD1-NE2 3.38Å; Y87-H524 WeakPolarHBondContact CD1-NE2 3.43Å; Y87-H524 AromaticContact CE1-CD2 3.6Å; Y87-H524 AromaticContact CE1-NE2 3.58Å; S459-H524 WeakPolarHBondContact CB-O 3.32Å; S459-H524 PolarHBondContact OG-O 2.82Å; H524-F526 PolarHBondContact ND1-N 2.73Å; H524-F526 VanDerWaalsContact ND1-N 3.11Å; H524-F526 PolarHBondContact O-N 3.45Å; H524-E527 HydrophobicContact CB-CB 4.35Å; H524-E527 WeakPolarHBondContact ND1-CB 3.49Å; H524-E527 PolarHBondContact ND1-N 3.22Å; H524-F529 HydrophobicContact CB-CB 4.15Å; H524-F529 WeakPolarHBondContact CB-O 3.39Å; H524-F529 PolarHBondContact N-O 3.32Å
525	P	89.1	Confident	87.4	Confident	15 Å²	15	43.2 Å²	43.2	10%	0.097	20%	0.198	C	C	.	.	S	Bend	trans	-59.7	-30.2	-179.7	-26.1	34.9	0	0	0	114.1	F65 P460	F65-P525 HydrophobicContact CB-CG 4.28Å; P460-P525 WeakPolarHBondContact CD-O 3.43Å
526	F	87.2	Confident	87.7	Confident	85 Å²	85	41 Å²	41	37%	0.373	19%	0.185	S	C	.	.	S	Bend	trans	-131.5	-24.2	-173.2	-51.9	-67	0	0	0	116.6	H43 D68 A406 H524	H43-F526 PolarHBondContact NE2-O 3.3Å; D68-F526 WeakPolarHBondContact O-CE2 3.38Å; A406-F526 HydrophobicContact CB-CE2 4.34Å; A406-F526 HydrophobicContact CB-CZ 3.66Å; A406-F526 VanDerWaalsContact O-CE1 3.22Å; A406-F526 WeakPolarHBondContact O-CE1 3.33Å; A406-F526 WeakPolarHBondContact O-CZ 3.37Å; H524-F526 PolarHBondContact ND1-N 2.73Å; H524-F526 VanDerWaalsContact ND1-N 3.11Å; H524-F526 PolarHBondContact O-N 3.45Å
527	E	90.6	Very high	87.3	Confident	63 Å²	63	38.3 Å²	38.3	29%	0.294	19%	0.187	S	C	.	.	S	Bend	trans	-106.8	154.2	-165.5	-72.4	-152	175.3	0	0	109.5	Y87 G89 C90 Y461 H524 F529	Y87-E527 HydrophobicContact CE1-CB 4.45Å; Y87-E527 WeakPolarHBondContact CE1-OE2 3.15Å; G89-E527 WeakPolarHBondContact CA-OE2 3.16Å; C90-E527 WeakPolarHBondContact CB-OE2 3.28Å; C90-E527 PolarHBondContact N-OE2 3.01Å; C90-E527 PolarHBondContact SG-OE2 2.85Å; Y461-E527 WeakPolarHBondContact CE2-O 3.46Å; H524-E527 HydrophobicContact CB-CB 4.35Å; H524-E527 WeakPolarHBondContact ND1-CB 3.49Å; H524-E527 PolarHBondContact ND1-N 3.22Å; E527-F529 PolarHBondContact O-N 2.9Å
528	P	92.6	Very high	86.6	Confident	6 Å²	6	39.6 Å²	39.6	4%	0.039	21%	0.213	C	C	.	.	S	Bend	trans	-71.7	61.2	179.4	33.2	-39.5	0	0	0	111.6	V46 C90 Y461 M546 R547	V46-P528 HydrophobicContact CG1-CB 4.31Å; V46-P528 HydrophobicContact CG1-CG 3.88Å; C90-P528 HydrophobicContact CB-CG 4.05Å; Y461-P528 VanDerWaalsContact OH-CA 3.27Å; Y461-P528 WeakPolarHBondContact OH-CA 3.46Å; Y461-P528 VanDerWaalsContact OH-CB 3.3Å; Y461-P528 WeakPolarHBondContact OH-CB 3.28Å; P528-M546 WeakPolarHBondContact O-CA 3.26Å; P528-R547 HydrophobicContact CB-CB 4.01Å; P528-R547 HydrophobicContact CG-CB 3.76Å; P528-R547 PolarHBondContact O-N 2.91Å
529	F	94.6	Very high	85.9	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.			trans	-139.8	133.7	-177	-172.8	-96.5	0	0	0	110.4	F65 Y87 F124 F125 H524 E527 I531 F544 H545 M546	F65-F529 HydrophobicContact CE2-CD1 4.38Å; F65-F529 AromaticContact CZ-CD1 3.86Å; F65-F529 HydrophobicContact CZ-CD1 3.86Å; F65-F529 AromaticContact CZ-CE1 3.91Å; F65-F529 HydrophobicContact CZ-CE1 3.91Å; Y87-F529 HydrophobicContact CE2-CD1 4.05Å; Y87-F529 HydrophobicContact CE2-CE1 4.22Å; Y87-F529 HydrophobicContact CE2-CG 4.21Å; Y87-F529 WeakPolarHBondContact OH-CB 3.5Å; Y87-F529 VanDerWaalsContact OH-CG 3.26Å; Y87-F529 WeakPolarHBondContact OH-CG 3.4Å; F124-F529 HydrophobicContact CD1-CE2 4.14Å; F124-F529 HydrophobicContact CD2-CE2 4.18Å; F124-F529 HydrophobicContact CE1-CD2 4.31Å; F124-F529 HydrophobicContact CE1-CE2 4.16Å; F124-F529 HydrophobicContact CE2-CE2 4.19Å; F124-F529 HydrophobicContact CG-CE2 4.16Å; F124-F529 HydrophobicContact CG-CZ 4.45Å; F124-F529 HydrophobicContact CZ-CE2 4.18Å; F125-F529 HydrophobicContact CE2-CE1 4.3Å; F125-F529 HydrophobicContact CE2-CZ 4.14Å; F125-F529 AromaticContact CZ-CE1 3.83Å; F125-F529 HydrophobicContact CZ-CE1 3.83Å; F125-F529 HydrophobicContact CZ-CZ 4.12Å; H524-F529 HydrophobicContact CB-CB 4.15Å; H524-F529 WeakPolarHBondContact CB-O 3.39Å; H524-F529 PolarHBondContact N-O 3.32Å; E527-F529 PolarHBondContact O-N 2.9Å; F529-I531 HydrophobicContact CD1-CG1 4.41Å; F529-I531 HydrophobicContact CE1-CD1 3.94Å; F529-I531 HydrophobicContact CE1-CG1 3.49Å; F529-I531 VanDerWaalsContact CE1-CG1 3.49Å; F529-I531 HydrophobicContact CZ-CG1 4Å; F529-F544 HydrophobicContact CE2-CB 4.09Å; F529-F544 AromaticContact CE2-CD2 3.88Å; F529-F544 HydrophobicContact CE2-CD2 3.88Å; F529-F544 HydrophobicContact CE2-CG 4.06Å; F529-F544 HydrophobicContact CZ-CB 4.25Å; F529-F544 HydrophobicContact CZ-CD1 4.19Å; F529-F544 AromaticContact CZ-CD2 3.66Å; F529-F544 HydrophobicContact CZ-CD2 3.66Å; F529-F544 HydrophobicContact CZ-CE1 4.49Å; F529-F544 HydrophobicContact CZ-CE2 4.04Å; F529-F544 AromaticContact CZ-CG 3.79Å; F529-F544 HydrophobicContact CZ-CG 3.79Å; F529-F544 HydrophobicContact CZ-CZ 4.44Å; F529-H545 CarbonylContact C-O 3.54Å; F529-H545 VanDerWaalsContact CA-O 3.27Å; F529-H545 WeakPolarHBondContact CA-O 3.34Å; F529-M546 HydrophobicContact CD2-CB 3.94Å; F529-M546 HydrophobicContact CE2-CB 4.37Å
530	A	94.9	Very high	85.6	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	148	173.4	0	0	0	0	0	110.6	T522 F523 H545	T522-A530 CarbonylContact O-C 3.58Å; T522-A530 WeakPolarHBondContact O-CA 3.36Å; F523-A530 HydrophobicContact CB-CB 4.49Å; F523-A530 HydrophobicContact CD1-CB 3.54Å; F523-A530 HydrophobicContact CD2-CB 4.31Å; F523-A530 HydrophobicContact CE1-CB 3.71Å; F523-A530 HydrophobicContact CE2-CB 4.45Å; F523-A530 HydrophobicContact CG-CB 3.87Å; F523-A530 HydrophobicContact CZ-CB 4.17Å; A530-H545 HydrophobicContact CB-CB 4.25Å; A530-H545 PolarHBondContact N-O 3.42Å; A530-H545 PolarHBondContact O-CD2 2.94Å; A530-H545 PolarHBondContact O-N 2.77Å
531	I	94.4	Very high	85.4	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.2	174.8	-52.5	176.9	0	0	0	107.5	L62 F65 F72 F125 F521 T522 F529 V533 V542 N543 F544	L62-I531 HydrophobicContact CD1-CG2 4.16Å; F65-I531 HydrophobicContact CE2-CD1 4.45Å; F65-I531 HydrophobicContact CZ-CD1 4.4Å; F72-I531 HydrophobicContact CE2-CD1 3.88Å; F72-I531 HydrophobicContact CZ-CD1 3.85Å; F125-I531 HydrophobicContact CE2-CD1 4.22Å; F125-I531 HydrophobicContact CZ-CD1 3.93Å; F521-I531 CarbonylContact C-O 3.56Å; F521-I531 WeakPolarHBondContact CA-O 2.97Å; T522-I531 PolarHBondContact N-O 2.67Å; T522-I531 PolarHBondContact O-N 3.28Å; F529-I531 HydrophobicContact CD1-CG1 4.41Å; F529-I531 HydrophobicContact CE1-CD1 3.94Å; F529-I531 HydrophobicContact CE1-CG1 3.49Å; F529-I531 VanDerWaalsContact CE1-CG1 3.49Å; F529-I531 HydrophobicContact CZ-CG1 4Å; I531-V533 HydrophobicContact CG2-CG2 3.86Å; I531-V542 HydrophobicContact CG2-CG1 3.64Å; I531-N543 WeakPolarHBondContact CA-O 3.25Å; I531-F544 HydrophobicContact CD1-CE1 4.12Å; I531-F544 HydrophobicContact CG1-CD1 4.07Å; I531-F544 HydrophobicContact CG1-CE1 4.02Å; I531-F544 HydrophobicContact CG2-CD1 4.1Å; I531-F544 HydrophobicContact CG2-CE1 4.01Å
532	S	93.3	Very high	85.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.3	164.4	65.1	0	0	0	0	110.1	A520 V542 N543 H545	A520-S532 WeakPolarHBondContact O-CA 3.47Å; S532-V542 WeakPolarHBondContact O-CA 3.23Å; S532-N543 PolarHBondContact N-O 2.95Å; S532-N543 PolarHBondContact O-N 3.39Å; S532-N543 WeakPolarHBondContact OG-CB 3.43Å; S532-N543 PolarHBondContact OG-ND2 3.42Å; S532-N543 VanDerWaalsContact OG-ND2 3.13Å; S532-H545 WeakPolarHBondContact CB-NE2 3.35Å; S532-H545 PolarHBondContact OG-NE2 3.34Å
533	V	91.4	Very high	85.2	Confident	14 Å²	14	38.5 Å²	38.5	9%	0.085	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.8	-178.2	178.5	0	0	0	0	108.6	L62 V519 A520 I531 Y540 V542	L62-V533 HydrophobicContact CD1-CG2 4.48Å; V519-V533 CarbonylContact C-O 3.51Å; V519-V533 WeakPolarHBondContact CA-O 3.25Å; A520-V533 PolarHBondContact N-O 3.47Å; A520-V533 PolarHBondContact O-N 3.01Å; I531-V533 HydrophobicContact CG2-CG2 3.86Å; V533-Y540 HydrophobicContact CG1-CD1 4.33Å; V533-Y540 HydrophobicContact CG1-CD2 4.24Å; V533-Y540 HydrophobicContact CG1-CE1 3.67Å; V533-Y540 HydrophobicContact CG1-CE2 3.55Å; V533-Y540 WeakPolarHBondContact CG1-OH 3.28Å; V533-V542 HydrophobicContact CG2-CG2 4.42Å
534	Q	88.1	Confident	85.2	Confident	3 Å²	3	38 Å²	38	1%	0.014	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.4	172.2	-63.9	-172.1	2.6	0	0	110.3	C483 A504 V519 Y540 V541	C483-Q534 PolarHBondContact SG-NE2 3.05Å; A504-Q534 PolarHBondContact O-NE2 3.46Å; V519-Q534 HydrophobicContact CB-CG 4.02Å; V519-Q534 HydrophobicContact CG2-CG 3.92Å; Q534-Y540 WeakPolarHBondContact O-CA 3.49Å; Q534-V541 HydrophobicContact CB-CB 4.36Å; Q534-V541 PolarHBondContact N-O 3.42Å; Q534-V541 PolarHBondContact O-N 3.33Å
535	R	75.3	Confident	85.2	Confident	167 Å²	167	37.8 Å²	37.8	63%	0.63	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	113.2	171.9	-169.7	177.2	175.3	-171.3	-2.4	108.8
536	T	66	Low	85.4	Confident	34 Å²	34	37.1 Å²	37.1	21%	0.209	19%	0.19	C	C	.	.			trans	-105.4	163.5	159.9	64.7	0	0	0	0	108.3	R517 A538 E539	R517-T536 HydrophobicContact CG-CG2 4.12Å; T536-A538 PolarHBondContact O-N 3.42Å; T536-E539 PolarHBondContact N-O 2.89Å; T536-E539 PolarHBondContact O-N 3.02Å; T536-E539 WeakPolarHBondContact OG1-CB 3.33Å; T536-E539 PolarHBondContact OG1-N 3.42Å; T536-E539 PolarHBondContact OG1-O 2.98Å
537	N	57.5	Low	85.5	Confident	165 Å²	165	36.4 Å²	36.4	88%	0.882	19%	0.185	S	C	*	.	S	Bend	trans	-54.2	-20.7	-171.8	-70.2	-12.9	0	0	0	114.7
538	A	61.2	Low	85.2	Confident	101 Å²	101	33.6 Å²	33.6	84%	0.835	17%	0.172	S	C	*	.	S	Bend	trans	-122.1	-16	178.1	0	0	0	0	0	114.9	T536	T536-A538 PolarHBondContact O-N 3.42Å
539	E	71.8	Confident	84.4	Confident	70 Å²	70	36.1 Å²	36.1	33%	0.327	19%	0.189	S	C	.	.			trans	-124.6	130.5	-173.7	-59.6	177.1	163.8	0	0	111.2	R509 T536 V541	R509-E539 IonicContact CZ-OE1 3.72Å; R509-E539 VanDerWaalsContact NH1-CD 3.3Å; R509-E539 IonicContact NH1-OE1 2.81Å; R509-E539 PolarHBondContact NH1-OE1 3.47Å; R509-E539 IonicContact NH1-OE2 2.77Å; R509-E539 PolarHBondContact NH1-OE2 3.42Å; R509-E539 IonicContact NH2-OE1 3.81Å; R509-E539 PolarHBondContact NH2-OE1 2.75Å; T536-E539 PolarHBondContact N-O 2.89Å; T536-E539 PolarHBondContact O-N 3.02Å; T536-E539 WeakPolarHBondContact OG1-CB 3.33Å; T536-E539 PolarHBondContact OG1-N 3.42Å; T536-E539 PolarHBondContact OG1-O 2.98Å; E539-V541 HydrophobicContact CB-CG2 4.08Å
540	Y	84.4	Confident	82.8	Confident	60 Å²	60	39.9 Å²	39.9	24%	0.235	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	93.4	169.8	-170.2	-82.7	0	0	0	108	K57 F61 L62 V533 Q534 V542	K57-Y540 HydrophobicContact CD-CD1 4.29Å; K57-Y540 HydrophobicContact CD-CE1 4.03Å; F61-Y540 HydrophobicContact CD1-CD2 4.27Å; F61-Y540 AromaticContact CD1-CE2 3.81Å; F61-Y540 HydrophobicContact CD1-CE2 3.81Å; F61-Y540 HydrophobicContact CE1-CD2 4.39Å; F61-Y540 HydrophobicContact CE1-CE2 4.38Å; L62-Y540 PolarHBondContact N-OH 3.33Å; L62-Y540 VanDerWaalsContact N-OH 3.11Å; V533-Y540 HydrophobicContact CG1-CD1 4.33Å; V533-Y540 HydrophobicContact CG1-CD2 4.24Å; V533-Y540 HydrophobicContact CG1-CE1 3.67Å; V533-Y540 HydrophobicContact CG1-CE2 3.55Å; V533-Y540 WeakPolarHBondContact CG1-OH 3.28Å; Q534-Y540 WeakPolarHBondContact O-CA 3.49Å; Y540-V542 HydrophobicContact CD1-CG2 3.66Å; Y540-V542 HydrophobicContact CE1-CG2 3.42Å; Y540-V542 VanDerWaalsContact CE1-CG2 3.42Å
541	V	87.4	Confident	80.6	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.5	-174.7	-178.8	0	0	0	0	108.9	N54 L506 Q534 E539	N54-V541 HydrophobicContact CB-CG1 4.12Å; L506-V541 HydrophobicContact CD1-CG2 4.31Å; Q534-V541 HydrophobicContact CB-CB 4.36Å; Q534-V541 PolarHBondContact N-O 3.42Å; Q534-V541 PolarHBondContact O-N 3.33Å; E539-V541 HydrophobicContact CB-CG2 4.08Å
542	V	91.1	Very high	79.9	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.3	-179.6	-177.9	0	0	0	0	109	N54 V55 K57 L62 I531 S532 V533 Y540 F544	N54-V542 CarbonylContact C-O 3.54Å; N54-V542 VanDerWaalsContact CA-O 3.24Å; N54-V542 WeakPolarHBondContact CA-O 3.32Å; N54-V542 PolarHBondContact N-O 3.4Å; N54-V542 VanDerWaalsContact N-O 3.15Å; V55-V542 PolarHBondContact N-O 3.5Å; K57-V542 HydrophobicContact CD-CG2 3.96Å; K57-V542 HydrophobicContact CG-CG2 4.41Å; L62-V542 HydrophobicContact CD1-CG1 3.71Å; L62-V542 HydrophobicContact CD1-CG2 3.96Å; I531-V542 HydrophobicContact CG2-CG1 3.64Å; S532-V542 WeakPolarHBondContact O-CA 3.23Å; V533-V542 HydrophobicContact CG2-CG2 4.42Å; Y540-V542 HydrophobicContact CD1-CG2 3.66Å; Y540-V542 HydrophobicContact CE1-CG2 3.42Å; Y540-V542 VanDerWaalsContact CE1-CG2 3.42Å; V542-F544 HydrophobicContact CG1-CD1 3.92Å; V542-F544 HydrophobicContact CG1-CE1 3.55Å
543	N	92.1	Very high	79.2	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.3	171.8	-42.8	-51.9	0	0	0	109.6	T51 V52 V53 N54 A504 I531 S532	T51-N543 HydrophobicContact CG2-CB 4.43Å; V52-N543 VanDerWaalsContact O-CA 3.27Å; V52-N543 WeakPolarHBondContact O-CA 3.43Å; V52-N543 WeakPolarHBondContact O-CB 3.26Å; V53-N543 WeakPolarHBondContact CA-OD1 3.41Å; V53-N543 WeakPolarHBondContact CG1-OD1 3.22Å; N54-N543 PolarHBondContact N-OD1 3.37Å; A504-N543 PolarHBondContact O-ND2 3.2Å; I531-N543 WeakPolarHBondContact CA-O 3.25Å; S532-N543 PolarHBondContact N-O 2.95Å; S532-N543 PolarHBondContact O-N 3.39Å; S532-N543 WeakPolarHBondContact OG-CB 3.43Å; S532-N543 PolarHBondContact OG-ND2 3.42Å; S532-N543 VanDerWaalsContact OG-ND2 3.13Å
544	F	93.7	Very high	78.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.5	172.8	-72	4.9	0	0	0	109.2	T51 V52 V55 L120 F121 F124 F125 F529 I531 V542 M546	T51-F544 WeakPolarHBondContact CA-O 3.17Å; V52-F544 PolarHBondContact N-O 3.28Å; V52-F544 PolarHBondContact O-N 2.98Å; V55-F544 HydrophobicContact CG1-CD2 4.35Å; V55-F544 HydrophobicContact CG1-CE1 4.47Å; V55-F544 HydrophobicContact CG1-CE2 4.08Å; V55-F544 HydrophobicContact CG1-CZ 4.14Å; V55-F544 HydrophobicContact CG2-CB 4.15Å; V55-F544 HydrophobicContact CG2-CD1 4.21Å; V55-F544 HydrophobicContact CG2-CD2 4.29Å; V55-F544 HydrophobicContact CG2-CG 3.94Å; L120-F544 HydrophobicContact CD2-CB 3.91Å; L120-F544 HydrophobicContact CD2-CD2 3.23Å; L120-F544 HydrophobicContact CD2-CE2 3.95Å; L120-F544 HydrophobicContact CD2-CG 3.85Å; L120-F544 HydrophobicContact CG-CD2 4.16Å; F121-F544 HydrophobicContact CD2-CE2 4.49Å; F121-F544 AromaticContact CD2-CZ 3.75Å; F121-F544 HydrophobicContact CD2-CZ 3.75Å; F121-F544 HydrophobicContact CE2-CZ 4.33Å; F124-F544 HydrophobicContact CB-CE2 4.43Å; F124-F544 AromaticContact CD2-CD2 3.76Å; F124-F544 HydrophobicContact CD2-CD2 3.76Å; F124-F544 AromaticContact CD2-CE2 3.9Å; F124-F544 HydrophobicContact CD2-CE2 3.9Å; F124-F544 HydrophobicContact CE2-CD2 4.18Å; F125-F544 HydrophobicContact CD2-CE2 4.26Å; F125-F544 HydrophobicContact CD2-CZ 4.08Å; F125-F544 HydrophobicContact CE2-CE1 4.41Å; F125-F544 AromaticContact CE2-CE2 3.82Å; F125-F544 HydrophobicContact CE2-CE2 3.82Å; F125-F544 AromaticContact CE2-CZ 3.58Å; F125-F544 HydrophobicContact CE2-CZ 3.58Å; F529-F544 HydrophobicContact CE2-CB 4.09Å; F529-F544 AromaticContact CE2-CD2 3.88Å; F529-F544 HydrophobicContact CE2-CD2 3.88Å; F529-F544 HydrophobicContact CE2-CG 4.06Å; F529-F544 HydrophobicContact CZ-CB 4.25Å; F529-F544 HydrophobicContact CZ-CD1 4.19Å; F529-F544 AromaticContact CZ-CD2 3.66Å; F529-F544 HydrophobicContact CZ-CD2 3.66Å; F529-F544 HydrophobicContact CZ-CE1 4.49Å; F529-F544 HydrophobicContact CZ-CE2 4.04Å; F529-F544 AromaticContact CZ-CG 3.79Å; F529-F544 HydrophobicContact CZ-CG 3.79Å; F529-F544 HydrophobicContact CZ-CZ 4.44Å; I531-F544 HydrophobicContact CD1-CE1 4.12Å; I531-F544 HydrophobicContact CG1-CD1 4.07Å; I531-F544 HydrophobicContact CG1-CE1 4.02Å; I531-F544 HydrophobicContact CG2-CD1 4.1Å; I531-F544 HydrophobicContact CG2-CE1 4.01Å; V542-F544 HydrophobicContact CG1-CD1 3.92Å; V542-F544 HydrophobicContact CG1-CE1 3.55Å; F544-M546 HydrophobicContact CB-CE 3.59Å; F544-M546 HydrophobicContact CD2-CE 4.45Å
545	H	93.2	Very high	77.9	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113.2	173.6	-49.6	-70.9	0	0	0	106.9	P48 F50 T51 Q503 F529 A530 S532	P48-H545 HydrophobicContact CB-CB 4.26Å; F50-H545 CarbonylContact O-C 3.44Å; F50-H545 WeakPolarHBondContact O-CA 3.3Å; T51-H545 VanDerWaalsContact CG2-CE1 3.47Å; T51-H545 WeakPolarHBondContact CG2-CE1 3.21Å; T51-H545 WeakPolarHBondContact CG2-ND1 3.43Å; T51-H545 PolarHBondContact OG1-ND1 3.41Å; Q503-H545 PolarHBondContact O-CE1 3.48Å; Q503-H545 VanDerWaalsContact O-CE1 3.3Å; F529-H545 CarbonylContact C-O 3.54Å; F529-H545 VanDerWaalsContact CA-O 3.27Å; F529-H545 WeakPolarHBondContact CA-O 3.34Å; A530-H545 HydrophobicContact CB-CB 4.25Å; A530-H545 PolarHBondContact N-O 3.42Å; A530-H545 PolarHBondContact O-CD2 2.94Å; A530-H545 PolarHBondContact O-N 2.77Å; S532-H545 WeakPolarHBondContact CB-NE2 3.35Å; S532-H545 PolarHBondContact OG-NE2 3.34Å
546	M	91.8	Very high	78.1	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	171.2	-172.6	71.6	-165.7	73.7	0	0	110.6	P48 N49 F50 V52 L97 L120 F124 P528 F529 F544	P48-M546 CarbonylContact C-O 3.6Å; P48-M546 VanDerWaalsContact CA-O 3.29Å; P48-M546 WeakPolarHBondContact CA-O 3.39Å; N49-M546 PolarHBondContact N-O 3.24Å; F50-M546 HydrophobicContact CB-CG 4.44Å; F50-M546 HydrophobicContact CD1-CG 4.4Å; F50-M546 PolarHBondContact N-O 3.32Å; F50-M546 PolarHBondContact O-N 2.77Å; V52-M546 HydrophobicContact CB-CE 4.35Å; V52-M546 HydrophobicContact CG2-CE 3.82Å; L97-M546 HydrophobicContact CD1-SD 3.73Å; L120-M546 HydrophobicContact CD1-CE 4.1Å; L120-M546 HydrophobicContact CD2-CE 3.68Å; L120-M546 HydrophobicContact CG-CE 4.31Å; F124-M546 HydrophobicContact CE2-CE 3.7Å; F124-M546 HydrophobicContact CE2-SD 3.75Å; F124-M546 HydrophobicContact CZ-CB 4.42Å; F124-M546 HydrophobicContact CZ-CE 4.05Å; F124-M546 HydrophobicContact CZ-SD 3.55Å; F124-M546 VanDerWaalsContact CZ-SD 3.55Å; P528-M546 WeakPolarHBondContact O-CA 3.26Å; F529-M546 HydrophobicContact CD2-CB 3.94Å; F529-M546 HydrophobicContact CE2-CB 4.37Å; F544-M546 HydrophobicContact CB-CE 3.59Å; F544-M546 HydrophobicContact CD2-CE 4.45Å
547	R	89.4	Confident	78.9	Confident	69 Å²	69	53.3 Å²	53.3	26%	0.26	31%	0.312	S	S	.	.			trans	-88	128.1	169.9	-176.4	178.1	179.6	90.5	-9	109.7	N45 N49 P528	N45-R547 PolarHBondContact O-NH1 3.37Å; N49-R547 VanDerWaalsContact OD1-CA 3.28Å; N49-R547 WeakPolarHBondContact OD1-CA 3.32Å; P528-R547 HydrophobicContact CB-CB 4.01Å; P528-R547 HydrophobicContact CG-CB 3.76Å; P528-R547 PolarHBondContact O-N 2.91Å
548	H	85.8	Confident	80.4	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.019	27%	0.272	C	S	.	.			trans	-122.8	132.5	170.4	-177.8	48.4	0	0	0	109.3	N49 F50 E94 L97 Y100	N49-H548 PolarHBondContact ND2-O 3.02Å; N49-H548 PolarHBondContact OD1-N 3.46Å; N49-H548 PolarHBondContact OD1-O 3.37Å; F50-H548 HydrophobicContact CB-CB 3.55Å; F50-H548 HydrophobicContact CD1-CB 4.33Å; F50-H548 HydrophobicContact CD2-CB 4.34Å; F50-H548 HydrophobicContact CG-CB 3.84Å; E94-H548 VanDerWaalsContact CD-ND1 3.29Å; E94-H548 IonicContact OE1-CE1 2.7Å; E94-H548 IonicContact OE1-ND1 3.89Å; E94-H548 PolarHBondContact OE1-ND1 3.03Å; E94-H548 IonicContact OE2-CE1 3.78Å; E94-H548 IonicContact OE2-CG 3.73Å; E94-H548 IonicContact OE2-ND1 3.28Å; E94-H548 PolarHBondContact OE2-ND1 2.79Å; L97-H548 VanDerWaalsContact CB-CE1 3.47Å; L97-H548 WeakPolarHBondContact CB-CE1 3.08Å; L97-H548 PolarHBondContact O-CE1 3.05Å; L97-H548 PolarHBondContact O-NE2 2.85Å; Y100-H548 PolarHBondContact O-NE2 3.37Å
549	S	76.3	Confident	81.9	Confident	59 Å²	59	41.1 Å²	41.1	41%	0.413	23%	0.228	S	C	.	.			trans	-100	97.9	175.6	-50.4	0	0	0	0	108.2	E94 T551	E94-S549 WeakPolarHBondContact OE1-CA 3.36Å; E94-S549 WeakPolarHBondContact OE1-CB 3.43Å; E94-S549 PolarHBondContact OE1-N 2.77Å; S549-T551 PolarHBondContact O-N 3.14Å
550	C	59.6	Low	82.8	Confident	79 Å²	79	38.7 Å²	38.7	53%	0.534	22%	0.22	S	C	.	.			trans	-61.6	110.9	170.1	-54	0	0	0	0	108.3
551	T	48.7	Very low	82.6	Confident	182 Å²	182	36.7 Å²	36.7	100%	1.117	22%	0.219	S	C	*	.			trans	-100.4	0	171.2	51.2	0	0	0	0	110.9	S549	S549-T551 PolarHBondContact O-N 3.14Å

Retrieved 551 of 551 residues in 267.5 ms (Link to these results)

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