A0A024RDP2_HUMAN Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB (Q9Y252), UniProt , Accession A0A024RDP2, Species HUMAN (Homo sapiens, Human), Gene RNF6, Length 685 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	39.9	Very low	40	Very low	234 Å²	234	156.6 Å²	156.6	100%	1.153	87%	0.867	S	S	*	*				0	165.7	0	-79	59.7	169.6	0	0	109.2
2	N	36.3	Very low	40.5	Very low	146 Å²	146	152.3 Å²	152.3	78%	0.781	86%	0.856	S	S	*	*			trans	-44.8	160.6	172.5	-41.7	-18.5	0	0	0	112.4
3	Q	41.4	Very low	40.7	Very low	184 Å²	184	154.5 Å²	154.5	86%	0.86	86%	0.855	S	S	*	*			cis	-151.1	150.1	31.1	-60.4	161.7	83	0	0	107.8
4	S	37.8	Very low	40.9	Very low	105 Å²	105	157.4 Å²	157.4	73%	0.734	86%	0.859	S	S	*	*			cis	90.3	96.9	34.8	-69.5	0	0	0	0	116.5
5	R	40	Very low	41.1	Very low	244 Å²	244	155.3 Å²	155.3	92%	0.921	85%	0.853	S	S	*	*			trans	72.9	155.5	161.1	-54.5	179.3	176.2	179	-2.7	115.4
6	S	41.2	Very low	41.2	Very low	119 Å²	119	153.9 Å²	153.9	83%	0.832	84%	0.843	S	S	*	*			cis	-138.5	169.5	20	-63	0	0	0	0	114.1
7	R	37	Very low	42	Very low	250 Å²	250	151.5 Å²	151.5	94%	0.943	84%	0.837	S	S	*	*			trans	-100.9	157	168.3	-82.7	-177.9	168.5	-174.7	-5.3	111.2
8	S	46	Very low	42.5	Very low	116 Å²	116	151.3 Å²	151.3	81%	0.811	83%	0.829	S	S	*	*			trans	-151.3	139.9	155.2	49.2	0	0	0	0	110.2
9	D	42.8	Very low	43.1	Very low	171 Å²	171	150.6 Å²	150.6	91%	0.914	82%	0.824	S	S	*	*			trans	-68.4	163.4	168.2	-69.7	-64.1	0	0	0	111.3
10	G	40.9	Very low	43.6	Very low	71 Å²	71	150.4 Å²	150.4	73%	0.732	82%	0.817	S	S	*	*			cis	154	162	-6.8	0	0	0	0	0	112.8
11	G	37.1	Very low	44.6	Very low	83 Å²	83	147.7 Å²	147.7	86%	0.856	80%	0.802	S	S	*	*			trans	85.5	83.4	161.9	0	0	0	0	0	118.5
12	S	45.3	Very low	45.8	Very low	105 Å²	105	142.4 Å²	142.4	73%	0.734	77%	0.774	S	S	*	*			trans	-155.1	118.2	157.7	58.9	0	0	0	0	111.9
13	E	43.7	Very low	47.5	Very low	180 Å²	180	140.4 Å²	140.4	84%	0.841	76%	0.76	S	S	*	*			trans	40.4	107.7	150.9	-63	168.6	103.6	0	0	120.5
14	E	43	Very low	49.2	Very low	195 Å²	195	135.8 Å²	135.8	91%	0.911	74%	0.738	S	S	*	*			trans	-116.6	99.6	153.7	-73.2	-167.1	146.1	0	0	110
15	T	44.8	Very low	51.2	Low	126 Å²	126	135.5 Å²	135.5	77%	0.773	73%	0.729	S	S	*	*			trans	-100.6	136.1	172.6	-57.4	0	0	0	0	109.6
16	L	41.7	Very low	53	Low	133 Å²	133	127.8 Å²	127.8	70%	0.696	70%	0.703	S	S	*	*			trans	-72.5	138.4	-155.8	-72	79.9	0	0	0	114.8	Q18	L16-Q18 PolarHBondContact O-N 2.76Å
17	P	54.7	Low	55	Low	113 Å²	113	128.5 Å²	128.5	73%	0.734	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	8.6	176.5	-19	32.6	0	0	0	116.7	N21	P17-N21 PolarHBondContact O-ND2 2.83Å
18	Q	52.1	Low	57.3	Low	148 Å²	148	124 Å²	124	69%	0.692	67%	0.67	S	S	*	*	H	α-helix	trans	-84.9	-33.9	-156.4	-164	163.9	-19.7	0	0	114.7	L16 H20	L16-Q18 PolarHBondContact O-N 2.76Å; Q18-H20 PolarHBondContact O-N 3.17Å
19	D	52.5	Low	58.9	Low	139 Å²	139	125.9 Å²	125.9	74%	0.743	66%	0.66	S	S	*	*	H	α-helix	trans	-69.1	-33.9	-176.3	-86.7	-38.6	0	0	0	114.2	N21 H22 H23	D19-N21 PolarHBondContact O-N 3.22Å; D19-H22 PolarHBondContact O-N 2.97Å; D19-H23 PolarHBondContact O-N 3.38Å
20	H	54.7	Low	60.9	Low	146 Å²	146	122.3 Å²	122.3	68%	0.676	64%	0.637	S	S	*	*	H	α-helix	trans	-56.5	-39.9	-179.1	-109.8	58.2	0	0	0	112.1	Q18 H22 H23 E24	Q18-H20 PolarHBondContact O-N 3.17Å; H20-H22 VanDerWaalsContact C-N 3.32Å; H20-H22 PolarHBondContact O-N 2.96Å; H20-H23 PolarHBondContact O-N 3.06Å; H20-E24 PolarHBondContact O-N 3.5Å
21	N	63.6	Low	63.2	Low	93 Å²	93	125 Å²	125	50%	0.497	63%	0.631	S	S	.	*	H	α-helix	trans	-63.2	-34.9	179.1	-73	-86.4	0	0	0	112.7	P17 D19 N25	P17-N21 PolarHBondContact O-ND2 2.83Å; D19-N21 PolarHBondContact O-N 3.22Å; N21-N25 WeakPolarHBondContact O-CB 3.49Å; N21-N25 VanDerWaalsContact O-CG 3.25Å; N21-N25 PolarHBondContact O-N 2.87Å; N21-N25 VanDerWaalsContact O-N 3.09Å; N21-N25 PolarHBondContact O-ND2 3.49Å
22	H	64.8	Low	65.6	Low	124 Å²	124	125.1 Å²	125.1	57%	0.574	61%	0.609	S	S	*	*	H	α-helix	trans	-69.7	-43.1	176.9	-161.6	-45.1	0	0	0	110.7	D19 H20 E24 N25 E26	D19-H22 PolarHBondContact O-N 2.97Å; H20-H22 VanDerWaalsContact C-N 3.32Å; H20-H22 PolarHBondContact O-N 2.96Å; H22-E24 PolarHBondContact O-N 3.05Å; H22-N25 PolarHBondContact O-N 3.24Å; H22-E26 IonicContact CE1-OE2 3.02Å; H22-E26 PolarHBondContact CE1-OE2 3.49Å; H22-E26 VanDerWaalsContact CE1-OE2 3.29Å; H22-E26 IonicContact ND1-OE2 3.57Å; H22-E26 PolarHBondContact ND1-OE2 3.09Å; H22-E26 WeakPolarHBondContact O-CB 3.34Å; H22-E26 PolarHBondContact O-N 2.94Å
23	H	71.6	Confident	67.5	Low	103 Å²	103	124 Å²	124	48%	0.477	59%	0.589	S	S	.	*	H	α-helix	trans	-67.9	-35.5	179.3	-164.6	-5.4	0	0	0	112.4	D19 H20 E26 R27	D19-H23 PolarHBondContact O-N 3.38Å; H20-H23 PolarHBondContact O-N 3.06Å; H23-E26 WeakPolarHBondContact O-CB 3.27Å; H23-E26 PolarHBondContact O-N 2.95Å; H23-R27 PolarHBondContact CD2-NH2 3.34Å; H23-R27 PolarHBondContact CE1-NE 3.3Å; H23-R27 PolarHBondContact CE1-NH2 3.39Å; H23-R27 VanDerWaalsContact CE1-NH2 3.34Å; H23-R27 PolarHBondContact ND1-NE 3.22Å; H23-R27 PolarHBondContact NE2-NH2 3.01Å; H23-R27 WeakPolarHBondContact O-CG 3.42Å; H23-R27 PolarHBondContact O-N 2.95Å
24	E	77.9	Confident	69.6	Low	87 Å²	87	120.3 Å²	120.3	41%	0.407	57%	0.574	S	S	.	*	H	α-helix	trans	-64.9	-42.6	172.3	-78	-171	-147.5	0	0	112.6	H20 H22 E26 R27 R28	H20-E24 PolarHBondContact O-N 3.5Å; H22-E24 PolarHBondContact O-N 3.05Å; E24-E26 VanDerWaalsContact C-N 3.35Å; E24-R27 PolarHBondContact O-N 3.34Å; E24-R28 WeakPolarHBondContact O-CB 3.06Å; E24-R28 VanDerWaalsContact O-CG 3.27Å; E24-R28 WeakPolarHBondContact O-CG 3.5Å; E24-R28 PolarHBondContact O-N 3.13Å
25	N	79.3	Confident	71.7	Confident	100 Å²	100	116.7 Å²	116.7	54%	0.535	56%	0.557	S	S	.	*	H	α-helix	trans	-64.9	-39.1	176.2	-73.7	-36.3	0	0	0	112	N21 H22 R28 W29	N21-N25 WeakPolarHBondContact O-CB 3.49Å; N21-N25 VanDerWaalsContact O-CG 3.25Å; N21-N25 PolarHBondContact O-N 2.87Å; N21-N25 VanDerWaalsContact O-N 3.09Å; N21-N25 PolarHBondContact O-ND2 3.49Å; H22-N25 PolarHBondContact O-N 3.24Å; N25-R28 PolarHBondContact O-N 3.29Å; N25-W29 WeakPolarHBondContact O-CB 3.43Å; N25-W29 PolarHBondContact O-N 3.43Å
26	E	78.2	Confident	73.8	Confident	82 Å²	82	114.9 Å²	114.9	38%	0.383	54%	0.536	S	S	.	.	H	α-helix	trans	-57.9	-49.7	172.9	-154.3	76.8	-140.5	0	0	111	H22 H23 E24 R28 W29 Q30	H22-E26 IonicContact CE1-OE2 3.02Å; H22-E26 PolarHBondContact CE1-OE2 3.49Å; H22-E26 VanDerWaalsContact CE1-OE2 3.29Å; H22-E26 IonicContact ND1-OE2 3.57Å; H22-E26 PolarHBondContact ND1-OE2 3.09Å; H22-E26 WeakPolarHBondContact O-CB 3.34Å; H22-E26 PolarHBondContact O-N 2.94Å; H23-E26 WeakPolarHBondContact O-CB 3.27Å; H23-E26 PolarHBondContact O-N 2.95Å; E24-E26 VanDerWaalsContact C-N 3.35Å; E26-R28 PolarHBondContact O-N 3.37Å; E26-W29 PolarHBondContact O-N 3.32Å; E26-Q30 VanDerWaalsContact O-CG 3.29Å; E26-Q30 WeakPolarHBondContact O-CG 3.49Å; E26-Q30 PolarHBondContact O-N 2.9Å
27	R	83.3	Confident	75.9	Confident	133 Å²	133	111 Å²	111	50%	0.502	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-42.9	177.9	-70.4	174.1	-160.4	-136.6	1.7	112	H23 E24 Q30 Q31	H23-R27 PolarHBondContact CD2-NH2 3.34Å; H23-R27 PolarHBondContact CE1-NE 3.3Å; H23-R27 PolarHBondContact CE1-NH2 3.39Å; H23-R27 VanDerWaalsContact CE1-NH2 3.34Å; H23-R27 PolarHBondContact ND1-NE 3.22Å; H23-R27 PolarHBondContact NE2-NH2 3.01Å; H23-R27 WeakPolarHBondContact O-CG 3.42Å; H23-R27 PolarHBondContact O-N 2.95Å; E24-R27 PolarHBondContact O-N 3.34Å; R27-Q30 PolarHBondContact O-N 3.2Å; R27-Q31 WeakPolarHBondContact O-CB 3.47Å; R27-Q31 VanDerWaalsContact O-CG 3.28Å; R27-Q31 WeakPolarHBondContact O-CG 3.28Å; R27-Q31 PolarHBondContact O-N 3.25Å
28	R	85	Confident	77.6	Confident	155 Å²	155	111.8 Å²	111.8	59%	0.585	51%	0.508	S	S	*	.	H	α-helix	trans	-62	-42	177	-73.1	168.1	-176.2	-97.4	3.9	111.6	E24 N25 E26 Q31 E32	E24-R28 WeakPolarHBondContact O-CB 3.06Å; E24-R28 VanDerWaalsContact O-CG 3.27Å; E24-R28 WeakPolarHBondContact O-CG 3.5Å; E24-R28 PolarHBondContact O-N 3.13Å; N25-R28 PolarHBondContact O-N 3.29Å; E26-R28 PolarHBondContact O-N 3.37Å; R28-Q31 PolarHBondContact O-N 3.19Å; R28-E32 WeakPolarHBondContact O-CB 3.24Å; R28-E32 PolarHBondContact O-N 2.97Å
29	W	80.7	Confident	79.4	Confident	157 Å²	157	105.7 Å²	105.7	60%	0.595	48%	0.484	S	S	*	.	H	α-helix	trans	-67.4	-40.5	176.7	-175.6	89.8	0	0	0	112.2	N25 E26 E32 R33	N25-W29 WeakPolarHBondContact O-CB 3.43Å; N25-W29 PolarHBondContact O-N 3.43Å; E26-W29 PolarHBondContact O-N 3.32Å; W29-E32 PolarHBondContact O-N 3.3Å; W29-R33 WeakPolarHBondContact O-CB 3.5Å; W29-R33 PolarHBondContact O-N 3.23Å
30	Q	85	Confident	81.3	Confident	95 Å²	95	100.2 Å²	100.2	44%	0.444	45%	0.453	S	S	.	.	H	α-helix	trans	-63.3	-43.6	174.4	-71.5	170.5	-2.7	0	0	111.8	E26 R27 R33 L34	E26-Q30 VanDerWaalsContact O-CG 3.29Å; E26-Q30 WeakPolarHBondContact O-CG 3.49Å; E26-Q30 PolarHBondContact O-N 2.9Å; R27-Q30 PolarHBondContact O-N 3.2Å; Q30-R33 PolarHBondContact O-N 3.15Å; Q30-L34 WeakPolarHBondContact O-CB 3.41Å; Q30-L34 WeakPolarHBondContact O-CG 3.43Å; Q30-L34 PolarHBondContact O-N 2.66Å
31	Q	87.2	Confident	82.9	Confident	128 Å²	128	98.6 Å²	98.6	60%	0.598	44%	0.442	S	S	*	.	H	α-helix	trans	-62.4	-44.8	175.1	-75.4	172.9	-25.1	0	0	112.2	R27 R28 R33 L34 H35	R27-Q31 WeakPolarHBondContact O-CB 3.47Å; R27-Q31 VanDerWaalsContact O-CG 3.28Å; R27-Q31 WeakPolarHBondContact O-CG 3.28Å; R27-Q31 PolarHBondContact O-N 3.25Å; R28-Q31 PolarHBondContact O-N 3.19Å; Q31-R33 VanDerWaalsContact C-N 3.33Å; Q31-R33 PolarHBondContact O-N 2.71Å; Q31-L34 PolarHBondContact O-N 3.11Å; Q31-H35 WeakPolarHBondContact O-CB 3.34Å; Q31-H35 PolarHBondContact O-N 2.92Å
32	E	88.2	Confident	84.2	Confident	85 Å²	85	99.6 Å²	99.6	40%	0.397	44%	0.443	S	S	.	.	H	α-helix	trans	-61.9	-39.3	175.4	176.9	62.7	-163.1	0	0	111.9	R28 W29 R36	R28-E32 WeakPolarHBondContact O-CB 3.24Å; R28-E32 PolarHBondContact O-N 2.97Å; W29-E32 PolarHBondContact O-N 3.3Å; E32-R36 VanDerWaalsContact O-CG 3.28Å; E32-R36 WeakPolarHBondContact O-CG 3.48Å; E32-R36 PolarHBondContact O-N 2.81Å; E32-R36 VanDerWaalsContact O-N 3.14Å; E32-R36 IonicContact OE1-CZ 3.29Å; E32-R36 IonicContact OE1-NE 3.27Å; E32-R36 PolarHBondContact OE1-NE 2.94Å; E32-R36 IonicContact OE1-NH2 3.43Å; E32-R36 PolarHBondContact OE1-NH2 3.32Å
33	R	86.1	Confident	85.5	Confident	83 Å²	83	94.7 Å²	94.7	31%	0.313	42%	0.42	S	S	.	.	H	α-helix	trans	-65.4	-45.7	174.7	-176.9	179.8	172.6	79.1	19.2	111.8	W29 Q30 Q31 R36 E37 P64	W29-R33 WeakPolarHBondContact O-CB 3.5Å; W29-R33 PolarHBondContact O-N 3.23Å; Q30-R33 PolarHBondContact O-N 3.15Å; Q31-R33 VanDerWaalsContact C-N 3.33Å; Q31-R33 PolarHBondContact O-N 2.71Å; R33-R36 PolarHBondContact O-N 3.42Å; R33-E37 PolarHBondContact O-N 2.7Å; R33-P64 PolarHBondContact NH2-O 2.91Å; R33-P64 VanDerWaalsContact NH2-O 3.1Å
34	L	86.7	Confident	86.3	Confident	101 Å²	101	91.2 Å²	91.2	53%	0.529	41%	0.405	S	S	.	.	H	α-helix	trans	-62	-46	177.7	-73.9	168.2	0	0	0	111.3	Q30 Q31 R36 E37 E38	Q30-L34 WeakPolarHBondContact O-CB 3.41Å; Q30-L34 WeakPolarHBondContact O-CG 3.43Å; Q30-L34 PolarHBondContact O-N 2.66Å; Q31-L34 PolarHBondContact O-N 3.11Å; L34-R36 VanDerWaalsContact C-N 3.29Å; L34-R36 PolarHBondContact O-N 3.18Å; L34-E37 CarbonylContact O-C 3.47Å; L34-E37 WeakPolarHBondContact O-CA 3.29Å; L34-E37 PolarHBondContact O-N 2.77Å; L34-E38 WeakPolarHBondContact O-CG 3.49Å; L34-E38 PolarHBondContact O-N 3.43Å
35	H	87.4	Confident	86.7	Confident	120 Å²	120	93.4 Å²	93.4	56%	0.556	42%	0.419	S	S	*	.	H	α-helix	trans	-59.8	-36.8	177.2	-178.2	-105.5	0	0	0	112.6	Q31 A39	Q31-H35 WeakPolarHBondContact O-CB 3.34Å; Q31-H35 PolarHBondContact O-N 2.92Å; H35-A39 VanDerWaalsContact O-CB 3.29Å; H35-A39 WeakPolarHBondContact O-CB 3.33Å; H35-A39 PolarHBondContact O-N 3.41Å
36	R	88.8	Confident	87.2	Confident	87 Å²	87	95.2 Å²	95.2	33%	0.328	42%	0.424	S	S	.	.	H	α-helix	trans	-69	-34.9	172.2	-70	170	-168.7	-167.9	3.2	113.1	E32 R33 L34 Y40	E32-R36 VanDerWaalsContact O-CG 3.28Å; E32-R36 WeakPolarHBondContact O-CG 3.48Å; E32-R36 PolarHBondContact O-N 2.81Å; E32-R36 VanDerWaalsContact O-N 3.14Å; E32-R36 IonicContact OE1-CZ 3.29Å; E32-R36 IonicContact OE1-NE 3.27Å; E32-R36 PolarHBondContact OE1-NE 2.94Å; E32-R36 IonicContact OE1-NH2 3.43Å; E32-R36 PolarHBondContact OE1-NH2 3.32Å; R33-R36 PolarHBondContact O-N 3.42Å; L34-R36 VanDerWaalsContact C-N 3.29Å; L34-R36 PolarHBondContact O-N 3.18Å; R36-Y40 VanDerWaalsContact O-CB 3.23Å; R36-Y40 WeakPolarHBondContact O-CB 3.32Å; R36-Y40 PolarHBondContact O-N 3.01Å
37	E	87	Confident	87.8	Confident	52 Å²	52	92.7 Å²	92.7	24%	0.243	41%	0.413	C	S	.	.	H	α-helix	trans	-73.3	-38.6	177.1	-178.8	149.4	-165.5	0	0	111.9	R33 L34 Y40 Y41 P64	R33-E37 PolarHBondContact O-N 2.7Å; L34-E37 CarbonylContact O-C 3.47Å; L34-E37 WeakPolarHBondContact O-CA 3.29Å; L34-E37 PolarHBondContact O-N 2.77Å; E37-Y40 WeakPolarHBondContact O-CB 3.46Å; E37-Y40 PolarHBondContact O-N 3.05Å; E37-Y41 HydrophobicContact CG-CD2 3.98Å; E37-Y41 HydrophobicContact CG-CE2 3.39Å; E37-Y41 WeakPolarHBondContact O-CD2 3.28Å; E37-Y41 PolarHBondContact O-N 3.29Å; E37-Y41 VanDerWaalsContact O-N 3.09Å; E37-Y41 WeakPolarHBondContact OE1-CE2 3.41Å; E37-Y41 PolarHBondContact OE1-OH 2.92Å; E37-P64 HydrophobicContact CG-CB 3.94Å; E37-P64 WeakPolarHBondContact OE1-CB 3.42Å
38	E	89	Confident	88	Confident	129 Å²	129	90.2 Å²	90.2	60%	0.603	41%	0.41	S	S	*	.	H	α-helix	trans	-59.7	-50.2	168.8	-71.2	174.1	176.2	0	0	111.2	L34 Y40 Y41 Q42	L34-E38 WeakPolarHBondContact O-CG 3.49Å; L34-E38 PolarHBondContact O-N 3.43Å; E38-Y40 VanDerWaalsContact C-N 3.28Å; E38-Y40 PolarHBondContact O-N 3.45Å; E38-Y41 PolarHBondContact O-N 3.48Å; E38-Q42 WeakPolarHBondContact O-CB 3.32Å; E38-Q42 PolarHBondContact O-N 2.94Å
39	A	89.7	Confident	88.1	Confident	21 Å²	21	87.9 Å²	87.9	17%	0.174	41%	0.41	C	S	.	.	H	α-helix	trans	-62.8	-31.9	176.9	0	0	0	0	0	113.2	H35 F43	H35-A39 VanDerWaalsContact O-CB 3.29Å; H35-A39 WeakPolarHBondContact O-CB 3.33Å; H35-A39 PolarHBondContact O-N 3.41Å; A39-F43 VanDerWaalsContact O-CB 3.27Å; A39-F43 WeakPolarHBondContact O-CB 3.5Å; A39-F43 PolarHBondContact O-N 2.9Å
40	Y	92.1	Very high	88.5	Confident	23 Å²	23	85.8 Å²	85.8	9%	0.09	41%	0.406	C	S	.	.	H	α-helix	trans	-64.8	-48.8	174	169.7	-82.9	0	0	0	111.7	R36 E37 E38 F43 I44 L61 P64 I67 L72	R36-Y40 VanDerWaalsContact O-CB 3.23Å; R36-Y40 WeakPolarHBondContact O-CB 3.32Å; R36-Y40 PolarHBondContact O-N 3.01Å; E37-Y40 WeakPolarHBondContact O-CB 3.46Å; E37-Y40 PolarHBondContact O-N 3.05Å; E38-Y40 VanDerWaalsContact C-N 3.28Å; E38-Y40 PolarHBondContact O-N 3.45Å; Y40-F43 PolarHBondContact O-N 2.94Å; Y40-I44 HydrophobicContact CD1-CD1 4.14Å; Y40-I44 HydrophobicContact CE1-CD1 3.47Å; Y40-I44 VanDerWaalsContact CE1-CD1 3.47Å; Y40-I44 HydrophobicContact CE2-CD1 4.03Å; Y40-I44 PolarHBondContact O-N 3.35Å; Y40-I44 VanDerWaalsContact O-N 3.13Å; Y40-L61 WeakPolarHBondContact CE2-O 3.42Å; Y40-P64 HydrophobicContact CD1-CB 4.03Å; Y40-P64 HydrophobicContact CD1-CG 4.06Å; Y40-P64 HydrophobicContact CE1-CB 4.17Å; Y40-P64 HydrophobicContact CE1-CG 3.67Å; Y40-P64 HydrophobicContact CE2-CG 4.43Å; Y40-P64 HydrophobicContact CG-CB 4.34Å; Y40-I67 HydrophobicContact CD2-CG2 3.71Å; Y40-I67 HydrophobicContact CE2-CG2 4.13Å; Y40-L72 HydrophobicContact CD2-CD1 3.8Å; Y40-L72 HydrophobicContact CE2-CD1 4.33Å
41	Y	90	Very high	88.7	Confident	113 Å²	113	82.4 Å²	82.4	44%	0.443	39%	0.391	S	S	.	.	H	α-helix	trans	-70.8	-36.8	178.2	-66.4	-61.1	0	0	0	111.9	E37 E38 I44 N45	E37-Y41 HydrophobicContact CG-CD2 3.98Å; E37-Y41 HydrophobicContact CG-CE2 3.39Å; E37-Y41 WeakPolarHBondContact O-CD2 3.28Å; E37-Y41 PolarHBondContact O-N 3.29Å; E37-Y41 VanDerWaalsContact O-N 3.09Å; E37-Y41 WeakPolarHBondContact OE1-CE2 3.41Å; E37-Y41 PolarHBondContact OE1-OH 2.92Å; E38-Y41 PolarHBondContact O-N 3.48Å; Y41-I44 PolarHBondContact O-N 3.04Å; Y41-N45 WeakPolarHBondContact O-CB 3.45Å; Y41-N45 PolarHBondContact O-N 2.92Å; Y41-N45 PolarHBondContact O-ND2 3.47Å; Y41-N45 VanDerWaalsContact O-ND2 3.13Å
42	Q	90	Very high	88.8	Confident	113 Å²	113	79.9 Å²	79.9	53%	0.528	38%	0.377	S	S	.	.	H	α-helix	trans	-58.9	-50.4	172.9	-178.6	173.7	-4.3	0	0	111	E38 I44 N45 E46	E38-Q42 WeakPolarHBondContact O-CB 3.32Å; E38-Q42 PolarHBondContact O-N 2.94Å; Q42-I44 VanDerWaalsContact C-N 3.34Å; Q42-I44 PolarHBondContact O-N 3.25Å; Q42-N45 PolarHBondContact O-N 3.34Å; Q42-N45 VanDerWaalsContact O-N 3.12Å; Q42-E46 HydrophobicContact CG-CG 4.48Å; Q42-E46 VanDerWaalsContact CG-OE1 3.23Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.35Å; Q42-E46 PolarHBondContact NE2-OE1 3.17Å; Q42-E46 WeakPolarHBondContact O-CG 3.34Å; Q42-E46 PolarHBondContact O-N 3.45Å
43	F	91.9	Very high	88.8	Confident	21 Å²	21	80.8 Å²	80.8	9%	0.092	38%	0.377	C	S	.	.	H	α-helix	trans	-55.8	-47	178	-177.9	-90.7	0	0	0	112	A39 Y40 N45 E46 L47 M55 L72 Q73	A39-F43 VanDerWaalsContact O-CB 3.27Å; A39-F43 WeakPolarHBondContact O-CB 3.5Å; A39-F43 PolarHBondContact O-N 2.9Å; Y40-F43 PolarHBondContact O-N 2.94Å; F43-N45 VanDerWaalsContact C-N 3.31Å; F43-N45 PolarHBondContact O-N 2.92Å; F43-E46 PolarHBondContact O-N 2.87Å; F43-E46 VanDerWaalsContact O-N 3.13Å; F43-L47 HydrophobicContact CD1-CD1 4.29Å; F43-L47 HydrophobicContact CD1-CD2 4.46Å; F43-L47 HydrophobicContact CD1-CG 4.28Å; F43-L47 HydrophobicContact CE1-CD1 3.94Å; F43-L47 HydrophobicContact CE1-CD2 3.74Å; F43-L47 HydrophobicContact CE1-CG 3.98Å; F43-L47 HydrophobicContact CZ-CD2 3.88Å; F43-L47 WeakPolarHBondContact O-CG 3.25Å; F43-L47 PolarHBondContact O-N 3.06Å; F43-M55 HydrophobicContact CE1-CE 4.2Å; F43-M55 HydrophobicContact CE1-SD 3.8Å; F43-M55 HydrophobicContact CZ-SD 4.44Å; F43-L72 HydrophobicContact CB-CD1 4.4Å; F43-L72 HydrophobicContact CD1-CB 3.8Å; F43-L72 HydrophobicContact CD1-CD1 3.72Å; F43-L72 HydrophobicContact CD1-CG 4.33Å; F43-L72 HydrophobicContact CE1-CB 3.57Å; F43-L72 HydrophobicContact CE1-CD1 4.32Å; F43-L72 HydrophobicContact CE1-CG 4.45Å; F43-L72 HydrophobicContact CE2-CB 4.46Å; F43-L72 HydrophobicContact CG-CB 4.34Å; F43-L72 HydrophobicContact CG-CD1 4.19Å; F43-L72 HydrophobicContact CZ-CB 3.94Å; F43-Q73 HydrophobicContact CE2-CB 3.91Å; F43-Q73 HydrophobicContact CZ-CB 4.21Å
44	I	88.7	Confident	88.9	Confident	30 Å²	30	78.2 Å²	78.2	15%	0.154	37%	0.369	C	S	.	.	H	α-helix	trans	-63.3	-35.4	178.9	-72.5	178.1	0	0	0	112.5	Y40 Y41 Q42 E46 L47 Y52 L61	Y40-I44 HydrophobicContact CD1-CD1 4.14Å; Y40-I44 HydrophobicContact CE1-CD1 3.47Å; Y40-I44 VanDerWaalsContact CE1-CD1 3.47Å; Y40-I44 HydrophobicContact CE2-CD1 4.03Å; Y40-I44 PolarHBondContact O-N 3.35Å; Y40-I44 VanDerWaalsContact O-N 3.13Å; Y41-I44 PolarHBondContact O-N 3.04Å; Q42-I44 VanDerWaalsContact C-N 3.34Å; Q42-I44 PolarHBondContact O-N 3.25Å; I44-E46 VanDerWaalsContact C-N 3.3Å; I44-L47 PolarHBondContact O-N 3.44Å; I44-Y52 HydrophobicContact CG2-CD2 4.1Å; I44-Y52 HydrophobicContact CG2-CE2 3.91Å; I44-L61 HydrophobicContact CD1-CD2 4.07Å; I44-L61 HydrophobicContact CG1-CD2 4.2Å
45	N	87.3	Confident	89.1	Confident	134 Å²	134	73.4 Å²	73.4	72%	0.717	34%	0.343	S	S	*	.	H	α-helix	trans	-74.5	-18.9	176.8	-67.7	-27.5	0	0	0	113.3	Y41 Q42 F43	Y41-N45 WeakPolarHBondContact O-CB 3.45Å; Y41-N45 PolarHBondContact O-N 2.92Å; Y41-N45 PolarHBondContact O-ND2 3.47Å; Y41-N45 VanDerWaalsContact O-ND2 3.13Å; Q42-N45 PolarHBondContact O-N 3.34Å; Q42-N45 VanDerWaalsContact O-N 3.12Å; F43-N45 VanDerWaalsContact C-N 3.31Å; F43-N45 PolarHBondContact O-N 2.92Å
46	E	89.8	Confident	89	Confident	137 Å²	137	73.7 Å²	73.7	64%	0.64	34%	0.34	S	S	*	.	H	α-helix	trans	-92.6	-10.1	176.5	-70.5	175.7	-171.1	0	0	113.1	Q42 F43 I44	Q42-E46 HydrophobicContact CG-CG 4.48Å; Q42-E46 VanDerWaalsContact CG-OE1 3.23Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.35Å; Q42-E46 PolarHBondContact NE2-OE1 3.17Å; Q42-E46 WeakPolarHBondContact O-CG 3.34Å; Q42-E46 PolarHBondContact O-N 3.45Å; F43-E46 PolarHBondContact O-N 2.87Å; F43-E46 VanDerWaalsContact O-N 3.13Å; I44-E46 VanDerWaalsContact C-N 3.3Å
47	L	89.7	Confident	88.8	Confident	29 Å²	29	75.1 Å²	75.1	15%	0.152	35%	0.354	C	S	.	.	S	Bend	trans	-69.2	145.5	171.8	-68.7	177.1	0	0	0	111.9	F43 I44 D51 Y52 M55 L76	F43-L47 HydrophobicContact CD1-CD1 4.29Å; F43-L47 HydrophobicContact CD1-CD2 4.46Å; F43-L47 HydrophobicContact CD1-CG 4.28Å; F43-L47 HydrophobicContact CE1-CD1 3.94Å; F43-L47 HydrophobicContact CE1-CD2 3.74Å; F43-L47 HydrophobicContact CE1-CG 3.98Å; F43-L47 HydrophobicContact CZ-CD2 3.88Å; F43-L47 WeakPolarHBondContact O-CG 3.25Å; F43-L47 PolarHBondContact O-N 3.06Å; I44-L47 PolarHBondContact O-N 3.44Å; L47-D51 HydrophobicContact CD2-CB 4.12Å; L47-Y52 HydrophobicContact CD1-CD2 4.34Å; L47-M55 HydrophobicContact CD1-SD 3.7Å; L47-M55 HydrophobicContact CD2-SD 4.33Å; L47-L76 HydrophobicContact CD2-CD2 3.79Å
48	N	88.4	Confident	88.6	Confident	81 Å²	81	77.1 Å²	77.1	43%	0.433	36%	0.363	S	S	.	.			trans	-79.5	160.8	163.5	63.3	78.8	0	0	0	111.2	E50 D51 Y52	N48-E50 VanDerWaalsContact C-N 3.29Å; N48-E50 PolarHBondContact O-N 3.43Å; N48-E50 PolarHBondContact OD1-N 2.68Å; N48-D51 VanDerWaalsContact ND2-CG 3.35Å; N48-D51 PolarHBondContact ND2-OD2 3.35Å; N48-D51 PolarHBondContact O-N 2.81Å; N48-D51 PolarHBondContact OD1-N 3.21Å; N48-Y52 WeakPolarHBondContact O-CB 3.41Å; N48-Y52 PolarHBondContact O-N 3.42Å
49	D	87.1	Confident	88.4	Confident	107 Å²	107	77.7 Å²	77.7	57%	0.572	37%	0.37	S	S	*	.	H	α-helix	trans	-50.1	-41.7	-178.6	-102.4	21.9	0	0	0	114.7	R53	D49-R53 WeakPolarHBondContact O-CB 3.49Å; D49-R53 WeakPolarHBondContact O-CD 3.21Å; D49-R53 WeakPolarHBondContact O-CG 3.4Å; D49-R53 PolarHBondContact O-N 2.83Å; D49-R53 PolarHBondContact O-NE 3.17Å; D49-R53 IonicContact OD2-CZ 3.56Å; D49-R53 IonicContact OD2-NH2 2.84Å; D49-R53 PolarHBondContact OD2-NH2 3.17Å
50	E	87.3	Confident	88.2	Confident	113 Å²	113	77.9 Å²	77.9	53%	0.528	37%	0.368	S	S	.	.	H	α-helix	trans	-76.7	-39	-176.4	-53	-53.1	156	0	0	111.5	N48 R53 L54	N48-E50 VanDerWaalsContact C-N 3.29Å; N48-E50 PolarHBondContact O-N 3.43Å; N48-E50 PolarHBondContact OD1-N 2.68Å; E50-R53 PolarHBondContact O-N 3.22Å; E50-R53 IonicContact OE1-CZ 3.71Å; E50-R53 IonicContact OE1-NH1 3.67Å; E50-R53 PolarHBondContact OE1-NH1 3.24Å; E50-R53 IonicContact OE1-NH2 3.69Å; E50-R53 IonicContact OE2-CZ 3.31Å; E50-R53 IonicContact OE2-NE 3.45Å; E50-R53 IonicContact OE2-NH1 2.67Å; E50-R53 PolarHBondContact OE2-NH1 2.94Å; E50-L54 VanDerWaalsContact O-CB 3.29Å; E50-L54 WeakPolarHBondContact O-CB 3.48Å; E50-L54 PolarHBondContact O-N 3.21Å
51	D	90.4	Very high	87.7	Confident	23 Å²	23	77.8 Å²	77.8	12%	0.123	37%	0.369	C	S	.	.	H	α-helix	trans	-66.9	-40.1	173	-75.3	-21.8	0	0	0	111.7	L47 N48 L54 M55 L76 K80	L47-D51 HydrophobicContact CD2-CB 4.12Å; N48-D51 VanDerWaalsContact ND2-CG 3.35Å; N48-D51 PolarHBondContact ND2-OD2 3.35Å; N48-D51 PolarHBondContact O-N 2.81Å; N48-D51 PolarHBondContact OD1-N 3.21Å; D51-L54 WeakPolarHBondContact O-CB 3.48Å; D51-L54 PolarHBondContact O-N 3.27Å; D51-M55 WeakPolarHBondContact O-CG 3.16Å; D51-M55 PolarHBondContact O-N 3.5Å; D51-L76 HydrophobicContact CB-CD1 3.85Å; D51-L76 HydrophobicContact CB-CD2 4.19Å; D51-K80 VanDerWaalsContact CG-CE 3.44Å; D51-K80 WeakPolarHBondContact OD1-CE 3.25Å; D51-K80 IonicContact OD1-NZ 3.92Å; D51-K80 PolarHBondContact OD1-NZ 3.42Å; D51-K80 VanDerWaalsContact OD1-NZ 3.1Å; D51-K80 WeakPolarHBondContact OD2-CE 3.34Å; D51-K80 IonicContact OD2-NZ 3.75Å; D51-K80 PolarHBondContact OD2-NZ 2.67Å
52	Y	90.1	Very high	87.3	Confident	76 Å²	76	74.7 Å²	74.7	30%	0.298	37%	0.372	S	S	.	.	H	α-helix	trans	-61.2	-44.9	173.4	177.4	-99.9	0	0	0	111.6	I44 L47 N48 R56 L61	I44-Y52 HydrophobicContact CG2-CD2 4.1Å; I44-Y52 HydrophobicContact CG2-CE2 3.91Å; L47-Y52 HydrophobicContact CD1-CD2 4.34Å; N48-Y52 WeakPolarHBondContact O-CB 3.41Å; N48-Y52 PolarHBondContact O-N 3.42Å; Y52-R56 WeakPolarHBondContact O-CB 3.44Å; Y52-R56 PolarHBondContact O-N 2.96Å; Y52-L61 HydrophobicContact CE2-CD1 4.11Å
53	R	87.4	Confident	86.9	Confident	104 Å²	104	72.7 Å²	72.7	39%	0.392	37%	0.367	S	S	.	.	H	α-helix	trans	-59.7	-46	172	-71.3	165.4	-154.3	165.3	9.3	111.2	D49 E50 M55 R56 D57	D49-R53 WeakPolarHBondContact O-CB 3.49Å; D49-R53 WeakPolarHBondContact O-CD 3.21Å; D49-R53 WeakPolarHBondContact O-CG 3.4Å; D49-R53 PolarHBondContact O-N 2.83Å; D49-R53 PolarHBondContact O-NE 3.17Å; D49-R53 IonicContact OD2-CZ 3.56Å; D49-R53 IonicContact OD2-NH2 2.84Å; D49-R53 PolarHBondContact OD2-NH2 3.17Å; E50-R53 PolarHBondContact O-N 3.22Å; E50-R53 IonicContact OE1-CZ 3.71Å; E50-R53 IonicContact OE1-NH1 3.67Å; E50-R53 PolarHBondContact OE1-NH1 3.24Å; E50-R53 IonicContact OE1-NH2 3.69Å; E50-R53 IonicContact OE2-CZ 3.31Å; E50-R53 IonicContact OE2-NE 3.45Å; E50-R53 IonicContact OE2-NH1 2.67Å; E50-R53 PolarHBondContact OE2-NH1 2.94Å; R53-M55 PolarHBondContact O-N 3.45Å; R53-R56 PolarHBondContact O-N 2.66Å; R53-D57 WeakPolarHBondContact O-CB 3.39Å; R53-D57 PolarHBondContact O-N 3.03Å
54	L	88.8	Confident	86.3	Confident	28 Å²	28	73.1 Å²	73.1	15%	0.147	37%	0.372	C	S	.	.	H	α-helix	trans	-58.2	-48.2	-179.5	-171.3	66.6	0	0	0	111.7	E50 D51 H58 L76 V79 K80 L83	E50-L54 VanDerWaalsContact O-CB 3.29Å; E50-L54 WeakPolarHBondContact O-CB 3.48Å; E50-L54 PolarHBondContact O-N 3.21Å; D51-L54 WeakPolarHBondContact O-CB 3.48Å; D51-L54 PolarHBondContact O-N 3.27Å; L54-H58 WeakPolarHBondContact O-CB 3.33Å; L54-H58 PolarHBondContact O-N 3.27Å; L54-H58 PolarHBondContact O-ND1 3.13Å; L54-L76 HydrophobicContact CD2-CD1 4.12Å; L54-V79 HydrophobicContact CD1-CG1 3.78Å; L54-V79 HydrophobicContact CD2-CG1 4.07Å; L54-V79 HydrophobicContact CG-CG1 3.85Å; L54-K80 HydrophobicContact CD2-CG 3.99Å; L54-L83 HydrophobicContact CD1-CD1 3.58Å; L54-L83 HydrophobicContact CD2-CD1 4.27Å
55	M	89.6	Confident	85.5	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-67	-38.2	176.3	-63.2	-167.1	80.6	0	0	112.9	F43 L47 D51 R53 N59 L60 L61 L72 L76	F43-M55 HydrophobicContact CE1-CE 4.2Å; F43-M55 HydrophobicContact CE1-SD 3.8Å; F43-M55 HydrophobicContact CZ-SD 4.44Å; L47-M55 HydrophobicContact CD1-SD 3.7Å; L47-M55 HydrophobicContact CD2-SD 4.33Å; D51-M55 WeakPolarHBondContact O-CG 3.16Å; D51-M55 PolarHBondContact O-N 3.5Å; R53-M55 PolarHBondContact O-N 3.45Å; M55-N59 PolarHBondContact O-N 3.44Å; M55-N59 VanDerWaalsContact O-N 3.13Å; M55-L60 HydrophobicContact CB-CB 4.15Å; M55-L60 HydrophobicContact CB-CD1 4.38Å; M55-L60 HydrophobicContact CE-CB 3.97Å; M55-L60 HydrophobicContact CG-CB 4.49Å; M55-L60 HydrophobicContact CG-CD1 4.2Å; M55-L60 PolarHBondContact O-N 2.98Å; M55-L61 HydrophobicContact CB-CD2 3.76Å; M55-L61 HydrophobicContact CB-CG 4.07Å; M55-L61 HydrophobicContact CE-CD2 4.13Å; M55-L61 HydrophobicContact SD-CD2 4.02Å; M55-L72 HydrophobicContact CE-CB 4.07Å; M55-L72 HydrophobicContact CE-CD2 3.7Å; M55-L72 WeakPolarHBondContact CE-O 3.36Å; M55-L76 HydrophobicContact CE-CB 4.2Å; M55-L76 HydrophobicContact CG-CB 4.21Å; M55-L76 HydrophobicContact CG-CD1 3.68Å; M55-L76 HydrophobicContact CG-CG 4.47Å; M55-L76 HydrophobicContact SD-CB 3.97Å; M55-L76 HydrophobicContact SD-CD1 4.2Å; M55-L76 HydrophobicContact SD-CD2 4.48Å; M55-L76 HydrophobicContact SD-CG 4.45Å
56	R	85.7	Confident	85.2	Confident	126 Å²	126	71.4 Å²	71.4	48%	0.475	36%	0.36	S	S	.	.	H	α-helix	trans	-65	-48.6	179.9	-176.3	-176.6	-164.6	179.9	7.9	111.8	Y52 R53 N59 L61	Y52-R56 WeakPolarHBondContact O-CB 3.44Å; Y52-R56 PolarHBondContact O-N 2.96Å; R53-R56 PolarHBondContact O-N 2.66Å; R56-N59 PolarHBondContact O-N 2.95Å; R56-N59 VanDerWaalsContact O-N 3.15Å; R56-L61 HydrophobicContact CB-CD1 4.48Å
57	D	83.7	Confident	84.8	Confident	118 Å²	118	65.2 Å²	65.2	63%	0.631	33%	0.331	S	S	*	.	H	α-helix	trans	-74.7	-31.6	-174.8	-68.6	-18.4	0	0	0	111.9	R53 N59	R53-D57 WeakPolarHBondContact O-CB 3.39Å; R53-D57 PolarHBondContact O-N 3.03Å; D57-N59 VanDerWaalsContact C-N 3.26Å; D57-N59 PolarHBondContact O-N 3.49Å; D57-N59 PolarHBondContact O-ND2 3.17Å; D57-N59 VanDerWaalsContact O-ND2 3.14Å
58	H	84.8	Confident	84.7	Confident	94 Å²	94	66.2 Å²	66.2	44%	0.435	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	3.2	170.7	-64.4	83.3	0	0	0	113.8	L54 L60 V79	L54-H58 WeakPolarHBondContact O-CB 3.33Å; L54-H58 PolarHBondContact O-N 3.27Å; L54-H58 PolarHBondContact O-ND1 3.13Å; H58-L60 VanDerWaalsContact C-N 3.27Å; H58-L60 HydrophobicContact CB-CD1 4.09Å; H58-L60 HydrophobicContact CB-CD2 3.92Å; H58-L60 HydrophobicContact CB-CG 3.73Å; H58-L60 PolarHBondContact O-N 3.4Å; H58-V79 HydrophobicContact CB-CG2 4.48Å
59	N	82.9	Confident	84.7	Confident	140 Å²	140	64.3 Å²	64.3	75%	0.749	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	29.2	178.7	-56.1	-99	0	0	0	114.6	M55 R56 D57	M55-N59 PolarHBondContact O-N 3.44Å; M55-N59 VanDerWaalsContact O-N 3.13Å; R56-N59 PolarHBondContact O-N 2.95Å; R56-N59 VanDerWaalsContact O-N 3.15Å; D57-N59 VanDerWaalsContact C-N 3.26Å; D57-N59 PolarHBondContact O-N 3.49Å; D57-N59 PolarHBondContact O-ND2 3.17Å; D57-N59 VanDerWaalsContact O-ND2 3.14Å
60	L	85.9	Confident	84.8	Confident	25 Å²	25	65.9 Å²	65.9	13%	0.131	34%	0.336	C	S	.	.			trans	-76.3	-24.5	-172	-53.7	-179.1	0	0	0	114	M55 H58 G62 R75 V79	M55-L60 HydrophobicContact CB-CB 4.15Å; M55-L60 HydrophobicContact CB-CD1 4.38Å; M55-L60 HydrophobicContact CE-CB 3.97Å; M55-L60 HydrophobicContact CG-CB 4.49Å; M55-L60 HydrophobicContact CG-CD1 4.2Å; M55-L60 PolarHBondContact O-N 2.98Å; H58-L60 VanDerWaalsContact C-N 3.27Å; H58-L60 HydrophobicContact CB-CD1 4.09Å; H58-L60 HydrophobicContact CB-CD2 3.92Å; H58-L60 HydrophobicContact CB-CG 3.73Å; H58-L60 PolarHBondContact O-N 3.4Å; L60-G62 VanDerWaalsContact C-N 3.33Å; L60-G62 PolarHBondContact O-N 3.13Å; L60-R75 HydrophobicContact CB-CB 4.08Å; L60-R75 HydrophobicContact CD1-CB 4.16Å; L60-R75 WeakPolarHBondContact CD1-O 3.17Å; L60-R75 HydrophobicContact CD2-CB 4.39Å; L60-R75 HydrophobicContact CG-CB 4.43Å; L60-R75 WeakPolarHBondContact O-CD 3.25Å; L60-R75 PolarHBondContact O-NH1 2.85Å; L60-V79 HydrophobicContact CD1-CB 4.14Å; L60-V79 HydrophobicContact CD1-CG2 3.61Å; L60-V79 HydrophobicContact CD2-CG2 4.16Å; L60-V79 HydrophobicContact CG-CG2 4.47Å
61	L	83.1	Confident	84.9	Confident	22 Å²	22	64.1 Å²	64.1	12%	0.115	33%	0.328	C	S	.	.			trans	-61.4	-34.8	-171.2	-62.3	173.7	0	0	0	113.5	Y40 I44 Y52 M55 R56 L72	Y40-L61 WeakPolarHBondContact CE2-O 3.42Å; I44-L61 HydrophobicContact CD1-CD2 4.07Å; I44-L61 HydrophobicContact CG1-CD2 4.2Å; Y52-L61 HydrophobicContact CE2-CD1 4.11Å; M55-L61 HydrophobicContact CB-CD2 3.76Å; M55-L61 HydrophobicContact CB-CG 4.07Å; M55-L61 HydrophobicContact CE-CD2 4.13Å; M55-L61 HydrophobicContact SD-CD2 4.02Å; R56-L61 HydrophobicContact CB-CD1 4.48Å; L61-L72 HydrophobicContact CD2-CD2 4.33Å; L61-L72 WeakPolarHBondContact O-CD2 3.48Å
62	G	81.3	Confident	84.9	Confident	48 Å²	48	63 Å²	63	50%	0.495	32%	0.322	S	S	.	.			trans	68.9	-136.2	176.5	0	0	0	0	0	114.3	L60	L60-G62 VanDerWaalsContact C-N 3.33Å; L60-G62 PolarHBondContact O-N 3.13Å
63	T	81	Confident	84.9	Confident	70 Å²	70	62.9 Å²	62.9	43%	0.429	32%	0.324	S	S	.	.			trans	-125.1	128.9	-170.8	9.3	0	0	0	0	111.2	E66 I67	T63-E66 WeakPolarHBondContact CB-OE2 3.36Å; T63-E66 PolarHBondContact O-N 3.29Å; T63-E66 PolarHBondContact OG1-OE2 3.28Å; T63-I67 PolarHBondContact O-N 2.91Å
64	P	78.3	Confident	85.1	Confident	31 Å²	31	64 Å²	64	20%	0.201	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	140.8	176.1	-22.5	30.6	0	0	0	112.8	R33 E37 Y40 E66	R33-P64 PolarHBondContact NH2-O 2.91Å; R33-P64 VanDerWaalsContact NH2-O 3.1Å; E37-P64 HydrophobicContact CG-CB 3.94Å; E37-P64 WeakPolarHBondContact OE1-CB 3.42Å; Y40-P64 HydrophobicContact CD1-CB 4.03Å; Y40-P64 HydrophobicContact CD1-CG 4.06Å; Y40-P64 HydrophobicContact CE1-CB 4.17Å; Y40-P64 HydrophobicContact CE1-CG 3.67Å; Y40-P64 HydrophobicContact CE2-CG 4.43Å; Y40-P64 HydrophobicContact CG-CB 4.34Å; P64-E66 PolarHBondContact O-N 2.99Å
65	G	73.9	Confident	85.1	Confident	4 Å²	4	66.6 Å²	66.6	4%	0.041	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	-11	-179.2	0	0	0	0	0	115.8
66	E	80.4	Confident	85.2	Confident	124 Å²	124	66.7 Å²	66.7	58%	0.579	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-36	174.7	-65.2	-174.1	161.7	0	0	112.4	T63 P64	T63-E66 WeakPolarHBondContact CB-OE2 3.36Å; T63-E66 PolarHBondContact O-N 3.29Å; T63-E66 PolarHBondContact OG1-OE2 3.28Å; P64-E66 PolarHBondContact O-N 2.99Å
67	I	81.8	Confident	85.4	Confident	6 Å²	6	64.1 Å²	64.1	3%	0.031	34%	0.337	C	S	.	.	S	Bend	trans	-97.6	150.4	177.5	-163.4	168.5	0	0	0	111.6	Y40 T63 E71 L72	Y40-I67 HydrophobicContact CD2-CG2 3.71Å; Y40-I67 HydrophobicContact CE2-CG2 4.13Å; T63-I67 PolarHBondContact O-N 2.91Å; I67-E71 HydrophobicContact CD1-CB 4.39Å; I67-E71 HydrophobicContact CD1-CG 4.45Å; I67-E71 HydrophobicContact CG1-CB 3.91Å; I67-E71 HydrophobicContact CG1-CG 4.32Å; I67-L72 HydrophobicContact CD1-CD2 3.75Å; I67-L72 HydrophobicContact CD1-CG 3.89Å; I67-L72 HydrophobicContact CG1-CG 4.22Å; I67-L72 HydrophobicContact CG2-CD1 4.26Å; I67-L72 HydrophobicContact CG2-CD2 4.37Å; I67-L72 HydrophobicContact CG2-CG 4.16Å
68	T	87.9	Confident	85.7	Confident	50 Å²	50	59.7 Å²	59.7	31%	0.307	32%	0.319	S	S	.	.			trans	-93.1	156.4	171	63.9	0	0	0	0	111.6	E70 E71 L72	T68-E70 PolarHBondContact O-N 2.98Å; T68-E71 PolarHBondContact O-N 3.45Å; T68-E71 VanDerWaalsContact O-N 3.17Å; T68-E71 PolarHBondContact OG1-N 2.78Å; T68-E71 VanDerWaalsContact OG1-N 3.14Å; T68-L72 PolarHBondContact O-N 2.8Å
69	S	87.5	Confident	85.9	Confident	41 Å²	41	55.7 Å²	55.7	29%	0.287	30%	0.302	S	S	.	.	H	α-helix	trans	-59.5	-33.8	170.9	47.5	0	0	0	0	112.4	L72 Q73	S69-L72 WeakPolarHBondContact O-CB 3.14Å; S69-L72 PolarHBondContact O-N 3.01Å; S69-Q73 PolarHBondContact O-N 3.39Å
70	E	88.3	Confident	86.2	Confident	141 Å²	141	52.4 Å²	52.4	66%	0.659	28%	0.281	S	S	*	.	H	α-helix	trans	-62.4	-42.6	172.8	-62.7	-177.4	173.6	0	0	112.6	T68 Q73 Q74	T68-E70 PolarHBondContact O-N 2.98Å; E70-Q73 PolarHBondContact O-N 3.39Å; E70-Q74 VanDerWaalsContact O-CG 3.28Å; E70-Q74 WeakPolarHBondContact O-CG 3.26Å; E70-Q74 PolarHBondContact O-N 2.97Å
71	E	89.7	Confident	86.3	Confident	76 Å²	76	58 Å²	58	36%	0.355	31%	0.307	S	S	.	.	H	α-helix	trans	-72.6	-33.4	178.1	-163.5	-172.2	153.9	0	0	111.6	I67 T68 Q74 R75	I67-E71 HydrophobicContact CD1-CB 4.39Å; I67-E71 HydrophobicContact CD1-CG 4.45Å; I67-E71 HydrophobicContact CG1-CB 3.91Å; I67-E71 HydrophobicContact CG1-CG 4.32Å; T68-E71 PolarHBondContact O-N 3.45Å; T68-E71 VanDerWaalsContact O-N 3.17Å; T68-E71 PolarHBondContact OG1-N 2.78Å; T68-E71 VanDerWaalsContact OG1-N 3.14Å; E71-Q74 PolarHBondContact O-N 3.17Å; E71-R75 WeakPolarHBondContact O-CB 3.28Å; E71-R75 WeakPolarHBondContact O-CD 3.28Å; E71-R75 WeakPolarHBondContact O-CG 3.11Å; E71-R75 PolarHBondContact O-N 3.14Å; E71-R75 IonicContact OE1-CZ 2.73Å; E71-R75 VanDerWaalsContact OE1-CZ 3.27Å; E71-R75 IonicContact OE1-NE 3.84Å; E71-R75 PolarHBondContact OE1-NE 2.84Å; E71-R75 VanDerWaalsContact OE1-NE 3.11Å; E71-R75 IonicContact OE1-NH2 3.94Å; E71-R75 PolarHBondContact OE1-NH2 2.9Å
72	L	90	Very high	86.3	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-58.9	-47.6	169.5	-76.1	171	0	0	0	111.5	Y40 F43 M55 L61 I67 T68 S69 R75 L76	Y40-L72 HydrophobicContact CD2-CD1 3.8Å; Y40-L72 HydrophobicContact CE2-CD1 4.33Å; F43-L72 HydrophobicContact CB-CD1 4.4Å; F43-L72 HydrophobicContact CD1-CB 3.8Å; F43-L72 HydrophobicContact CD1-CD1 3.72Å; F43-L72 HydrophobicContact CD1-CG 4.33Å; F43-L72 HydrophobicContact CE1-CB 3.57Å; F43-L72 HydrophobicContact CE1-CD1 4.32Å; F43-L72 HydrophobicContact CE1-CG 4.45Å; F43-L72 HydrophobicContact CE2-CB 4.46Å; F43-L72 HydrophobicContact CG-CB 4.34Å; F43-L72 HydrophobicContact CG-CD1 4.19Å; F43-L72 HydrophobicContact CZ-CB 3.94Å; M55-L72 HydrophobicContact CE-CB 4.07Å; M55-L72 HydrophobicContact CE-CD2 3.7Å; M55-L72 WeakPolarHBondContact CE-O 3.36Å; L61-L72 HydrophobicContact CD2-CD2 4.33Å; L61-L72 WeakPolarHBondContact O-CD2 3.48Å; I67-L72 HydrophobicContact CD1-CD2 3.75Å; I67-L72 HydrophobicContact CD1-CG 3.89Å; I67-L72 HydrophobicContact CG1-CG 4.22Å; I67-L72 HydrophobicContact CG2-CD1 4.26Å; I67-L72 HydrophobicContact CG2-CD2 4.37Å; I67-L72 HydrophobicContact CG2-CG 4.16Å; T68-L72 PolarHBondContact O-N 2.8Å; S69-L72 WeakPolarHBondContact O-CB 3.14Å; S69-L72 PolarHBondContact O-N 3.01Å; L72-R75 PolarHBondContact O-N 2.69Å; L72-L76 PolarHBondContact O-N 2.9Å
73	Q	91.2	Very high	86.2	Confident	72 Å²	72	65 Å²	65	34%	0.336	33%	0.328	S	S	.	.	H	α-helix	trans	-61	-47.5	176.6	-175.3	59	43.6	0	0	111.7	F43 S69 E70 R75 L76 D77	F43-Q73 HydrophobicContact CE2-CB 3.91Å; F43-Q73 HydrophobicContact CZ-CB 4.21Å; S69-Q73 PolarHBondContact O-N 3.39Å; E70-Q73 PolarHBondContact O-N 3.39Å; Q73-R75 VanDerWaalsContact C-N 3.27Å; Q73-R75 PolarHBondContact O-N 2.72Å; Q73-L76 WeakPolarHBondContact O-CB 3.21Å; Q73-L76 PolarHBondContact O-N 3.39Å; Q73-L76 VanDerWaalsContact O-N 3.13Å; Q73-D77 PolarHBondContact NE2-OD1 3.3Å; Q73-D77 PolarHBondContact NE2-OD2 3.44Å; Q73-D77 PolarHBondContact O-N 3.41Å
74	Q	90.8	Very high	86.2	Confident	127 Å²	127	65.9 Å²	65.9	59%	0.593	34%	0.342	S	S	*	.	H	α-helix	trans	-58.4	-37.4	177.1	-72.1	169.2	36.8	0	0	112.6	E70 E71 G78	E70-Q74 VanDerWaalsContact O-CG 3.28Å; E70-Q74 WeakPolarHBondContact O-CG 3.26Å; E70-Q74 PolarHBondContact O-N 2.97Å; E71-Q74 PolarHBondContact O-N 3.17Å; Q74-G78 PolarHBondContact O-N 2.87Å
75	R	89.3	Confident	85.8	Confident	84 Å²	84	68.5 Å²	68.5	32%	0.317	36%	0.361	S	S	.	.	H	α-helix	trans	-68.9	-42.9	175.4	-70.5	167.4	-179.2	-154.3	4.2	111.8	L60 E71 L72 Q73 G78 V79	L60-R75 HydrophobicContact CB-CB 4.08Å; L60-R75 HydrophobicContact CD1-CB 4.16Å; L60-R75 WeakPolarHBondContact CD1-O 3.17Å; L60-R75 HydrophobicContact CD2-CB 4.39Å; L60-R75 HydrophobicContact CG-CB 4.43Å; L60-R75 WeakPolarHBondContact O-CD 3.25Å; L60-R75 PolarHBondContact O-NH1 2.85Å; E71-R75 WeakPolarHBondContact O-CB 3.28Å; E71-R75 WeakPolarHBondContact O-CD 3.28Å; E71-R75 WeakPolarHBondContact O-CG 3.11Å; E71-R75 PolarHBondContact O-N 3.14Å; E71-R75 IonicContact OE1-CZ 2.73Å; E71-R75 VanDerWaalsContact OE1-CZ 3.27Å; E71-R75 IonicContact OE1-NE 3.84Å; E71-R75 PolarHBondContact OE1-NE 2.84Å; E71-R75 VanDerWaalsContact OE1-NE 3.11Å; E71-R75 IonicContact OE1-NH2 3.94Å; E71-R75 PolarHBondContact OE1-NH2 2.9Å; L72-R75 PolarHBondContact O-N 2.69Å; Q73-R75 VanDerWaalsContact C-N 3.27Å; Q73-R75 PolarHBondContact O-N 2.72Å; R75-G78 PolarHBondContact O-N 2.81Å; R75-V79 PolarHBondContact O-N 3.41Å; R75-V79 VanDerWaalsContact O-N 3.17Å
76	L	91.3	Very high	85	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.01	39%	0.392	C	S	.	.	H	α-helix	trans	-58.8	-51	175.5	176.8	64.1	0	0	0	111.1	L47 D51 L54 M55 L72 Q73 G78 V79 K80	L47-L76 HydrophobicContact CD2-CD2 3.79Å; D51-L76 HydrophobicContact CB-CD1 3.85Å; D51-L76 HydrophobicContact CB-CD2 4.19Å; L54-L76 HydrophobicContact CD2-CD1 4.12Å; M55-L76 HydrophobicContact CE-CB 4.2Å; M55-L76 HydrophobicContact CG-CB 4.21Å; M55-L76 HydrophobicContact CG-CD1 3.68Å; M55-L76 HydrophobicContact CG-CG 4.47Å; M55-L76 HydrophobicContact SD-CB 3.97Å; M55-L76 HydrophobicContact SD-CD1 4.2Å; M55-L76 HydrophobicContact SD-CD2 4.48Å; M55-L76 HydrophobicContact SD-CG 4.45Å; L72-L76 PolarHBondContact O-N 2.9Å; Q73-L76 WeakPolarHBondContact O-CB 3.21Å; Q73-L76 PolarHBondContact O-N 3.39Å; Q73-L76 VanDerWaalsContact O-N 3.13Å; L76-G78 PolarHBondContact O-N 2.61Å; L76-V79 PolarHBondContact O-N 3.25Å; L76-K80 HydrophobicContact CD1-CD 4.43Å; L76-K80 HydrophobicContact CG-CD 4.17Å; L76-K80 WeakPolarHBondContact O-CG 3.28Å; L76-K80 PolarHBondContact O-N 3.29Å
77	D	90.7	Very high	83.6	Confident	71 Å²	71	75 Å²	75	38%	0.38	40%	0.401	S	S	.	.	H	α-helix	trans	-65.5	-40	-179.3	-67.9	-30.2	0	0	0	111.9	Q73 V79 K80 E81	Q73-D77 PolarHBondContact NE2-OD1 3.3Å; Q73-D77 PolarHBondContact NE2-OD2 3.44Å; Q73-D77 PolarHBondContact O-N 3.41Å; D77-V79 PolarHBondContact O-N 3.36Å; D77-K80 WeakPolarHBondContact O-CB 3.29Å; D77-K80 PolarHBondContact O-N 2.71Å; D77-E81 PolarHBondContact O-N 2.76Å
78	G	90.1	Very high	81.7	Confident	25 Å²	25	80.2 Å²	80.2	26%	0.258	43%	0.429	S	S	.	.	H	α-helix	trans	-62.1	-27.6	175.1	0	0	0	0	0	114	Q74 R75 L76 Q82	Q74-G78 PolarHBondContact O-N 2.87Å; R75-G78 PolarHBondContact O-N 2.81Å; L76-G78 PolarHBondContact O-N 2.61Å; G78-Q82 WeakPolarHBondContact O-CG 3.3Å; G78-Q82 PolarHBondContact O-N 3.31Å; G78-Q82 PolarHBondContact O-NE2 2.98Å
79	V	88.4	Confident	79.5	Confident	10 Å²	10	86.3 Å²	86.3	6%	0.061	46%	0.458	C	S	.	.	H	α-helix	trans	-86.4	-34.2	172.5	174.7	0	0	0	0	111.9	L54 H58 L60 R75 L76 D77 E81 Q82 L83	L54-V79 HydrophobicContact CD1-CG1 3.78Å; L54-V79 HydrophobicContact CD2-CG1 4.07Å; L54-V79 HydrophobicContact CG-CG1 3.85Å; H58-V79 HydrophobicContact CB-CG2 4.48Å; L60-V79 HydrophobicContact CD1-CB 4.14Å; L60-V79 HydrophobicContact CD1-CG2 3.61Å; L60-V79 HydrophobicContact CD2-CG2 4.16Å; L60-V79 HydrophobicContact CG-CG2 4.47Å; R75-V79 PolarHBondContact O-N 3.41Å; R75-V79 VanDerWaalsContact O-N 3.17Å; L76-V79 PolarHBondContact O-N 3.25Å; D77-V79 PolarHBondContact O-N 3.36Å; V79-E81 VanDerWaalsContact C-N 3.31Å; V79-E81 PolarHBondContact O-N 2.99Å; V79-Q82 PolarHBondContact O-N 3.33Å; V79-L83 PolarHBondContact O-N 2.91Å
80	K	89.3	Confident	77.2	Confident	71 Å²	71	93.8 Å²	93.8	31%	0.309	48%	0.481	S	S	.	.	H	α-helix	trans	-58.6	-42	169.3	-74.5	173.5	172.9	172.3	0	111.9	D51 L54 L76 D77 L83 A84	D51-K80 VanDerWaalsContact CG-CE 3.44Å; D51-K80 WeakPolarHBondContact OD1-CE 3.25Å; D51-K80 IonicContact OD1-NZ 3.92Å; D51-K80 PolarHBondContact OD1-NZ 3.42Å; D51-K80 VanDerWaalsContact OD1-NZ 3.1Å; D51-K80 WeakPolarHBondContact OD2-CE 3.34Å; D51-K80 IonicContact OD2-NZ 3.75Å; D51-K80 PolarHBondContact OD2-NZ 2.67Å; L54-K80 HydrophobicContact CD2-CG 3.99Å; L76-K80 HydrophobicContact CD1-CD 4.43Å; L76-K80 HydrophobicContact CG-CD 4.17Å; L76-K80 WeakPolarHBondContact O-CG 3.28Å; L76-K80 PolarHBondContact O-N 3.29Å; D77-K80 WeakPolarHBondContact O-CB 3.29Å; D77-K80 PolarHBondContact O-N 2.71Å; K80-L83 PolarHBondContact O-N 2.98Å; K80-A84 VanDerWaalsContact O-CB 3.32Å; K80-A84 WeakPolarHBondContact O-CB 3.31Å; K80-A84 PolarHBondContact O-N 3.5Å
81	E	88	Confident	74.6	Confident	144 Å²	144	94.2 Å²	94.2	67%	0.673	49%	0.487	S	S	*	.	H	α-helix	trans	-64.3	-40.5	175	-171.2	178.8	-166.1	0	0	111.7	D77 V79 L83 A84 S85	D77-E81 PolarHBondContact O-N 2.76Å; V79-E81 VanDerWaalsContact C-N 3.31Å; V79-E81 PolarHBondContact O-N 2.99Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 3.1Å; E81-A84 PolarHBondContact O-N 3.05Å; E81-S85 WeakPolarHBondContact O-CB 3.46Å; E81-S85 PolarHBondContact O-N 3.36Å; E81-S85 PolarHBondContact O-OG 3.48Å
82	Q	83.2	Confident	72	Confident	126 Å²	126	94 Å²	94	59%	0.589	51%	0.506	S	S	*	.	H	α-helix	trans	-64.2	-32.6	175	-77.4	169.6	74.1	0	0	113.3	G78 V79 S85	G78-Q82 WeakPolarHBondContact O-CG 3.3Å; G78-Q82 PolarHBondContact O-N 3.31Å; G78-Q82 PolarHBondContact O-NE2 2.98Å; V79-Q82 PolarHBondContact O-N 3.33Å; Q82-S85 PolarHBondContact O-OG 3.14Å
83	L	79.5	Confident	69.4	Low	90 Å²	90	99.1 Å²	99.1	47%	0.471	54%	0.537	S	S	.	.	H	α-helix	trans	-75.7	-45.1	172.2	-69.2	-178.5	0	0	0	111.9	L54 V79 K80 E81 S85 Q86	L54-L83 HydrophobicContact CD1-CD1 3.58Å; L54-L83 HydrophobicContact CD2-CD1 4.27Å; V79-L83 PolarHBondContact O-N 2.91Å; K80-L83 PolarHBondContact O-N 2.98Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 3.1Å; L83-S85 PolarHBondContact O-N 2.93Å; L83-Q86 PolarHBondContact O-N 2.79Å; L83-Q86 VanDerWaalsContact O-N 3.16Å
84	A	80	Confident	66.8	Low	88 Å²	88	102.2 Å²	102.2	73%	0.727	56%	0.556	S	S	*	*	H	α-helix	trans	-65.5	-19.5	179.2	0	0	0	0	0	113.7	K80 E81	K80-A84 VanDerWaalsContact O-CB 3.32Å; K80-A84 WeakPolarHBondContact O-CB 3.31Å; K80-A84 PolarHBondContact O-N 3.5Å; E81-A84 PolarHBondContact O-N 3.05Å
85	S	71.4	Confident	64	Low	86 Å²	86	106.5 Å²	106.5	60%	0.601	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	2.8	176.3	56.2	0	0	0	0	114.6	E81 Q82 L83	E81-S85 WeakPolarHBondContact O-CB 3.46Å; E81-S85 PolarHBondContact O-N 3.36Å; E81-S85 PolarHBondContact O-OG 3.48Å; Q82-S85 PolarHBondContact O-OG 3.14Å; L83-S85 PolarHBondContact O-N 2.93Å
86	Q	57.2	Low	61.6	Low	146 Å²	146	113.7 Å²	113.7	68%	0.682	60%	0.595	S	S	*	*	S	Bend	trans	-75.6	129.9	164.4	-71	-155.2	11.2	0	0	110.8	L83 D88	L83-Q86 PolarHBondContact O-N 2.79Å; L83-Q86 VanDerWaalsContact O-N 3.16Å; Q86-D88 PolarHBondContact O-N 2.9Å
87	P	49.7	Very low	58.7	Low	118 Å²	118	121 Å²	121	77%	0.766	63%	0.634	S	S	*	*			trans	-75.2	117.3	177.7	29.4	-33.1	0	0	0	111.3	L89	P87-L89 PolarHBondContact O-N 2.93Å; P87-L89 VanDerWaalsContact O-N 3.07Å
88	D	42	Very low	56.2	Low	117 Å²	117	122.9 Å²	122.9	63%	0.626	65%	0.653	S	S	*	*			trans	-65.4	103	176.6	-170	14.7	0	0	0	111	Q86 R90	Q86-D88 PolarHBondContact O-N 2.9Å; D88-R90 PolarHBondContact O-N 2.9Å; D88-R90 IonicContact OD1-NE 3.4Å; D88-R90 WeakPolarHBondContact OD2-CD 3.33Å; D88-R90 WeakPolarHBondContact OD2-CG 3.5Å; D88-R90 IonicContact OD2-CZ 3.46Å; D88-R90 IonicContact OD2-NE 3.81Å; D88-R90 PolarHBondContact OD2-NE 2.86Å
89	L	42.9	Very low	53.7	Low	177 Å²	177	130.7 Å²	130.7	93%	0.927	68%	0.683	S	S	*	*			trans	-80.3	64.4	-179.2	-111	168	0	0	0	111	P87	P87-L89 PolarHBondContact O-N 2.93Å; P87-L89 VanDerWaalsContact O-N 3.07Å
90	R	37.5	Very low	51.1	Low	199 Å²	199	136.5 Å²	136.5	75%	0.751	72%	0.718	S	S	*	*			trans	-86.3	159.9	175	-86.4	-177.3	-166.6	-121.9	-2.7	113.8	D88	D88-R90 PolarHBondContact O-N 2.9Å; D88-R90 IonicContact OD1-NE 3.4Å; D88-R90 WeakPolarHBondContact OD2-CD 3.33Å; D88-R90 WeakPolarHBondContact OD2-CG 3.5Å; D88-R90 IonicContact OD2-CZ 3.46Å; D88-R90 IonicContact OD2-NE 3.81Å; D88-R90 PolarHBondContact OD2-NE 2.86Å
91	D	35.2	Very low	48.7	Very low	149 Å²	149	138.1 Å²	138.1	80%	0.797	74%	0.736	S	S	*	*			trans	76.6	141.9	167.1	-147	-5.1	0	0	0	116.5
92	G	34	Very low	46	Very low	73 Å²	73	142.7 Å²	142.7	75%	0.753	75%	0.747	S	S	*	*			trans	153.1	44.5	-159.2	0	0	0	0	0	112.5
93	T	35.8	Very low	43.8	Very low	106 Å²	106	144.6 Å²	144.6	65%	0.65	76%	0.756	S	S	*	*			trans	-62.6	140.8	179.4	50.2	0	0	0	0	113
94	N	37.4	Very low	41.5	Very low	138 Å²	138	145.9 Å²	145.9	74%	0.738	77%	0.773	S	S	*	*				160.4	134.8	120.7	-86.3	-67.5	0	0	0	114.8
95	Y	31.6	Very low	39.6	Very low	217 Å²	217	147.1 Å²	147.1	85%	0.851	78%	0.776	S	S	*	*			trans	1.1	116	153.1	-80.5	-94.8	0	0	0	119.8
96	R	37.8	Very low	38.4	Very low	234 Å²	234	148.7 Å²	148.7	88%	0.883	77%	0.773	S	S	*	*				-177.4	157.9	100.5	-104	-178.4	174.1	-171.2	-2.4	113.5
97	D	31	Very low	37.9	Very low	155 Å²	155	148.6 Å²	148.6	83%	0.829	77%	0.773	S	S	*	*			trans	-65.4	129.9	173.3	-46.8	-95.4	0	0	0	112.5
98	S	38.7	Very low	37.7	Very low	111 Å²	111	148.6 Å²	148.6	78%	0.776	77%	0.767	S	S	*	*			trans	-178.6	116.7	144.3	-106.3	0	0	0	0	112.1
99	E	37	Very low	38.6	Very low	190 Å²	190	145.2 Å²	145.2	89%	0.888	75%	0.752	S	S	*	*			trans	57.8	151.7	155.8	-58.1	-171.5	121.9	0	0	120.5
100	V	34.9	Very low	39.1	Very low	131 Å²	131	137.7 Å²	137.7	79%	0.794	71%	0.713	S	S	*	*			trans	-104	122.3	-172.5	174	0	0	0	0	111.7	R102	V100-R102 HydrophobicContact CG1-CB 4.37Å
101	P	37.9	Very low	39.9	Very low	105 Å²	105	131.7 Å²	131.7	68%	0.682	70%	0.695	S	S	*	*			trans	-92.2	131.2	152.3	-5.8	25.5	0	0	0	110	E103	P101-E103 HydrophobicContact CB-CG 4.47Å
102	R	31.3	Very low	41.1	Very low	240 Å²	240	130.3 Å²	130.3	91%	0.906	68%	0.684	S	S	*	*			trans	-116.1	79.2	-178.4	-174.5	-174.5	177.2	-137.4	-2.3	109.7	V100	V100-R102 HydrophobicContact CG1-CB 4.37Å
103	E	37	Very low	42.5	Very low	167 Å²	167	130.3 Å²	130.3	78%	0.78	66%	0.661	S	S	*	*			trans	-105.6	95.1	-170	-61.8	-165.6	150.8	0	0	112.8	P101	P101-E103 HydrophobicContact CB-CG 4.47Å
104	S	32.4	Very low	43.6	Very low	117 Å²	117	125.7 Å²	125.7	82%	0.818	63%	0.632	S	S	*	*			trans	14.8	107.8	150.1	54.5	0	0	0	0	118.8
105	S	39.4	Very low	44.4	Very low	113 Å²	113	122.5 Å²	122.5	79%	0.79	62%	0.615	S	S	*	*			trans	-144.7	48.1	178.5	55.3	0	0	0	0	114
106	H	46.6	Very low	45.7	Very low	120 Å²	120	116.4 Å²	116.4	56%	0.556	60%	0.601	S	S	*	*	S	Bend	trans	-151.7	-36.4	179	-135.9	-105.1	0	0	0	116.3	D108 S109 E474	H106-D108 PolarHBondContact O-N 3.46Å; H106-S109 WeakPolarHBondContact O-CB 3.36Å; H106-S109 PolarHBondContact O-N 3.06Å; H106-E474 WeakPolarHBondContact CB-OE1 3.49Å; H106-E474 IonicContact CE1-OE1 3Å; H106-E474 IonicContact CG-OE1 2.89Å; H106-E474 IonicContact ND1-OE1 3.41Å; H106-E474 PolarHBondContact ND1-OE1 3.26Å; H106-E474 IonicContact ND1-OE2 2.67Å; H106-E474 PolarHBondContact ND1-OE2 3.32Å
107	E	45.3	Very low	46.5	Very low	144 Å²	144	106.9 Å²	106.9	67%	0.673	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.8	-39.8	-177.7	-60.2	-65.8	151.5	0	0	114.9	S109	E107-S109 PolarHBondContact O-N 2.92Å
108	D	46.8	Very low	47.6	Very low	118 Å²	118	103.2 Å²	103.2	63%	0.631	54%	0.54	S	S	*	.	H	α-helix	trans	-65.7	-23.5	-176.7	-90.9	-52.3	0	0	0	113.5	H106 L110 L111 E112	H106-D108 PolarHBondContact O-N 3.46Å; D108-L110 VanDerWaalsContact C-N 3.32Å; D108-L110 PolarHBondContact O-N 3.32Å; D108-L110 VanDerWaalsContact O-N 3.1Å; D108-L111 CarbonylContact O-C 3.49Å; D108-L111 WeakPolarHBondContact O-CA 3.17Å; D108-L111 PolarHBondContact O-N 2.92Å; D108-E112 WeakPolarHBondContact O-CB 3.43Å; D108-E112 PolarHBondContact O-N 2.94Å
109	S	61.2	Low	48.4	Very low	45 Å²	45	108.7 Å²	108.7	32%	0.315	54%	0.544	S	S	.	.	H	α-helix	trans	-58.5	-36.7	-163.6	-163.9	0	0	0	0	113.9	H106 E107 W113 R481	H106-S109 WeakPolarHBondContact O-CB 3.36Å; H106-S109 PolarHBondContact O-N 3.06Å; E107-S109 PolarHBondContact O-N 2.92Å; S109-W113 WeakPolarHBondContact O-CB 3.4Å; S109-W113 PolarHBondContact O-N 2.85Å; S109-W113 VanDerWaalsContact O-N 3.08Å; S109-R481 PolarHBondContact O-NH2 3.2Å; S109-R481 PolarHBondContact OG-NH2 3.17Å
110	L	52.3	Low	49.3	Very low	20 Å²	20	104.3 Å²	104.3	11%	0.105	53%	0.53	C	S	.	.	H	α-helix	trans	-78.9	-35.8	175.1	179.9	133.4	0	0	0	112.4	D108 L114 I467 L480	D108-L110 VanDerWaalsContact C-N 3.32Å; D108-L110 PolarHBondContact O-N 3.32Å; D108-L110 VanDerWaalsContact O-N 3.1Å; L110-L114 HydrophobicContact CD2-CD1 3.56Å; L110-L114 HydrophobicContact CD2-CG 4.39Å; L110-L114 HydrophobicContact CG-CD1 4.2Å; L110-L114 VanDerWaalsContact O-CB 3.27Å; L110-L114 WeakPolarHBondContact O-CB 3.41Å; L110-L114 VanDerWaalsContact O-CG 3.3Å; L110-L114 WeakPolarHBondContact O-CG 3.5Å; L110-L114 PolarHBondContact O-N 2.91Å; L110-I467 HydrophobicContact CD2-CG2 4.04Å; L110-L480 HydrophobicContact CD1-CB 4Å; L110-L480 HydrophobicContact CD1-CD1 3.96Å
111	L	54.3	Low	50.1	Low	72 Å²	72	98 Å²	98	38%	0.377	49%	0.492	S	S	.	.	H	α-helix	trans	-66.7	-40.1	174.5	-98.7	67.5	0	0	0	111	D108 L114 N115	D108-L111 CarbonylContact O-C 3.49Å; D108-L111 WeakPolarHBondContact O-CA 3.17Å; D108-L111 PolarHBondContact O-N 2.92Å; L111-L114 CarbonylContact O-C 3.43Å; L111-L114 PolarHBondContact O-N 3.23Å; L111-N115 WeakPolarHBondContact O-CB 3.32Å; L111-N115 PolarHBondContact O-N 3.15Å; L111-N115 PolarHBondContact O-ND2 3.35Å; L111-N115 VanDerWaalsContact O-ND2 3.08Å
112	E	60.4	Low	51.3	Low	120 Å²	120	98.1 Å²	98.1	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-62.6	-51.5	173.8	-176.9	175.1	-143.1	0	0	111.3	D108 L114 N115 T116	D108-E112 WeakPolarHBondContact O-CB 3.43Å; D108-E112 PolarHBondContact O-N 2.94Å; E112-L114 VanDerWaalsContact C-N 3.26Å; E112-L114 PolarHBondContact O-N 3.07Å; E112-N115 CarbonylContact O-C 3.55Å; E112-N115 WeakPolarHBondContact O-CA 3.33Å; E112-N115 PolarHBondContact O-N 3.02Å; E112-T116 WeakPolarHBondContact O-CB 3.34Å; E112-T116 PolarHBondContact O-N 3.16Å; E112-T116 PolarHBondContact O-OG1 3.14Å
113	W	63.2	Low	52.8	Low	73 Å²	73	88.8 Å²	88.8	28%	0.277	46%	0.461	S	S	.	.	H	α-helix	trans	-57.2	-42.4	174.3	-177.4	87.5	0	0	0	111.4	S109 N115 F117 R481 L484 M488	S109-W113 WeakPolarHBondContact O-CB 3.4Å; S109-W113 PolarHBondContact O-N 2.85Å; S109-W113 VanDerWaalsContact O-N 3.08Å; W113-N115 VanDerWaalsContact C-N 3.31Å; W113-N115 PolarHBondContact O-N 3.08Å; W113-F117 WeakPolarHBondContact O-CB 3.43Å; W113-F117 PolarHBondContact O-N 3.45Å; W113-R481 HydrophobicContact CD2-CG 3.7Å; W113-R481 HydrophobicContact CE3-CG 3.88Å; W113-R481 HydrophobicContact CG-CG 4.02Å; W113-R481 HydrophobicContact CZ2-CB 4.46Å; W113-R481 HydrophobicContact CZ2-CG 4.46Å; W113-R481 HydrophobicContact CZ3-CG 4.34Å; W113-L484 HydrophobicContact CH2-CB 3.83Å; W113-L484 HydrophobicContact CH2-CD1 4.31Å; W113-L484 HydrophobicContact CZ3-CB 4.25Å; W113-L484 HydrophobicContact CZ3-CD1 3.86Å; W113-M488 HydrophobicContact CH2-CE 4.46Å
114	L	58.8	Low	54.2	Low	10 Å²	10	84.3 Å²	84.3	5%	0.052	45%	0.445	C	S	.	.	H	α-helix	trans	-69	-23	173.2	-76.2	173.9	0	0	0	113.7	L110 L111 E112 R118 L464 L484	L110-L114 HydrophobicContact CD2-CD1 3.56Å; L110-L114 HydrophobicContact CD2-CG 4.39Å; L110-L114 HydrophobicContact CG-CD1 4.2Å; L110-L114 VanDerWaalsContact O-CB 3.27Å; L110-L114 WeakPolarHBondContact O-CB 3.41Å; L110-L114 VanDerWaalsContact O-CG 3.3Å; L110-L114 WeakPolarHBondContact O-CG 3.5Å; L110-L114 PolarHBondContact O-N 2.91Å; L111-L114 CarbonylContact O-C 3.43Å; L111-L114 PolarHBondContact O-N 3.23Å; E112-L114 VanDerWaalsContact C-N 3.26Å; E112-L114 PolarHBondContact O-N 3.07Å; L114-R118 WeakPolarHBondContact O-CB 3.32Å; L114-R118 WeakPolarHBondContact O-CD 3.46Å; L114-R118 WeakPolarHBondContact O-CG 3.18Å; L114-R118 PolarHBondContact O-N 2.83Å; L114-L464 HydrophobicContact CD1-CD1 4.03Å; L114-L464 HydrophobicContact CD2-CD1 3.97Å; L114-L484 HydrophobicContact CD2-CD1 4.25Å
115	N	54.5	Low	55.6	Low	71 Å²	71	85.6 Å²	85.6	38%	0.38	43%	0.432	S	S	.	.	H	α-helix	trans	-85.4	-41.7	179.7	-77.6	-28.6	0	0	0	111.2	L111 E112 W113 F117 R118 R119	L111-N115 WeakPolarHBondContact O-CB 3.32Å; L111-N115 PolarHBondContact O-N 3.15Å; L111-N115 PolarHBondContact O-ND2 3.35Å; L111-N115 VanDerWaalsContact O-ND2 3.08Å; E112-N115 CarbonylContact O-C 3.55Å; E112-N115 WeakPolarHBondContact O-CA 3.33Å; E112-N115 PolarHBondContact O-N 3.02Å; W113-N115 VanDerWaalsContact C-N 3.31Å; W113-N115 PolarHBondContact O-N 3.08Å; N115-F117 VanDerWaalsContact C-N 3.3Å; N115-R118 PolarHBondContact O-N 3.5Å; N115-R118 WeakPolarHBondContact OD1-CD 3.48Å; N115-R118 PolarHBondContact OD1-NE 3.45Å; N115-R119 WeakPolarHBondContact O-CG 3.06Å; N115-R119 PolarHBondContact O-N 3.12Å
116	T	59.7	Low	57	Low	88 Å²	88	84.3 Å²	84.3	54%	0.54	42%	0.423	S	S	.	.	H	α-helix	trans	-58	-45.4	164.4	-63.7	0	0	0	0	109.7	E112 R119	E112-T116 WeakPolarHBondContact O-CB 3.34Å; E112-T116 PolarHBondContact O-N 3.16Å; E112-T116 PolarHBondContact O-OG1 3.14Å; T116-R119 WeakPolarHBondContact O-CB 3.32Å; T116-R119 PolarHBondContact O-N 3.22Å
117	F	54.7	Low	57.8	Low	35 Å²	35	79.8 Å²	79.8	15%	0.154	41%	0.409	C	S	.	.	H	α-helix	trans	-68.4	-33.9	173.5	-164.8	-97.3	0	0	0	113.4	W113 N115 R119 T120 G121 F147 M488	W113-F117 WeakPolarHBondContact O-CB 3.43Å; W113-F117 PolarHBondContact O-N 3.45Å; N115-F117 VanDerWaalsContact C-N 3.3Å; F117-R119 PolarHBondContact O-N 3.27Å; F117-T120 CarbonylContact O-C 3.51Å; F117-T120 PolarHBondContact O-N 2.99Å; F117-T120 PolarHBondContact O-OG1 3.5Å; F117-G121 WeakPolarHBondContact O-CA 3.07Å; F117-G121 PolarHBondContact O-N 2.79Å; F117-F147 HydrophobicContact CE1-CE2 4.13Å; F117-M488 HydrophobicContact CD2-CE 4.07Å; F117-M488 HydrophobicContact CE1-CE 3.96Å; F117-M488 HydrophobicContact CE1-SD 3.63Å; F117-M488 HydrophobicContact CE2-CE 3.43Å; F117-M488 VanDerWaalsContact CE2-CE 3.43Å; F117-M488 HydrophobicContact CE2-SD 3.85Å; F117-M488 HydrophobicContact CZ-CE 3.39Å; F117-M488 HydrophobicContact CZ-SD 3.16Å; F117-M488 WeakPolarHBondContact CZ-SD 3.44Å
118	R	53.7	Low	58.8	Low	78 Å²	78	79.7 Å²	79.7	29%	0.294	41%	0.409	S	S	.	.	H	α-helix	trans	-59.8	-27.4	173.2	-83.1	161.5	-161.6	-136.2	9.1	112.7	L114 N115 T140 P142	L114-R118 WeakPolarHBondContact O-CB 3.32Å; L114-R118 WeakPolarHBondContact O-CD 3.46Å; L114-R118 WeakPolarHBondContact O-CG 3.18Å; L114-R118 PolarHBondContact O-N 2.83Å; N115-R118 PolarHBondContact O-N 3.5Å; N115-R118 WeakPolarHBondContact OD1-CD 3.48Å; N115-R118 PolarHBondContact OD1-NE 3.45Å; R118-T140 HydrophobicContact CG-CG2 3.72Å; R118-P142 PolarHBondContact NH1-O 3.04Å
119	R	54.8	Low	59.4	Low	226 Å²	226	76.1 Å²	76.1	85%	0.853	39%	0.39	S	S	*	.	H	α-helix	trans	-74.4	-24.5	175.7	-64.9	172.8	-174.3	-164.6	3.7	112.9	N115 T116 F117	N115-R119 WeakPolarHBondContact O-CG 3.06Å; N115-R119 PolarHBondContact O-N 3.12Å; T116-R119 WeakPolarHBondContact O-CB 3.32Å; T116-R119 PolarHBondContact O-N 3.22Å; F117-R119 PolarHBondContact O-N 3.27Å
120	T	55.3	Low	59.7	Low	97 Å²	97	76.7 Å²	76.7	60%	0.595	40%	0.403	S	S	*	.	H	α-helix	trans	-111.8	-9.3	178.8	57.6	0	0	0	0	113.9	F117 N122	F117-T120 CarbonylContact O-C 3.51Å; F117-T120 PolarHBondContact O-N 2.99Å; F117-T120 PolarHBondContact O-OG1 3.5Å; T120-N122 VanDerWaalsContact C-N 3.28Å; T120-N122 PolarHBondContact O-N 3.24Å
121	G	52.9	Low	60.3	Low	0 Å²	0	79.1 Å²	79.1	0%	0	42%	0.415	C	S	.	.			trans	-86.5	35.7	-154	0	0	0	0	0	117	F117 R139 T140	F117-G121 WeakPolarHBondContact O-CA 3.07Å; F117-G121 PolarHBondContact O-N 2.79Å; G121-R139 CarbonylContact O-C 3.43Å; G121-R139 WeakPolarHBondContact O-CA 3.46Å; G121-T140 PolarHBondContact O-N 3.34Å; G121-T140 PolarHBondContact O-OG1 3.19Å; G121-T140 VanDerWaalsContact O-OG1 3.11Å
122	N	63.7	Low	60.8	Low	107 Å²	107	78 Å²	78	57%	0.572	41%	0.409	S	S	*	.			trans	-123.7	62	168.2	-71.1	-49.4	0	0	0	109.1	T120 S138 R139 T140	T120-N122 VanDerWaalsContact C-N 3.28Å; T120-N122 PolarHBondContact O-N 3.24Å; N122-S138 CarbonylContact C-O 3.5Å; N122-S138 WeakPolarHBondContact CA-O 3.43Å; N122-R139 VanDerWaalsContact OD1-CA 3.25Å; N122-R139 WeakPolarHBondContact OD1-CA 3.17Å; N122-R139 WeakPolarHBondContact OD1-CB 3.32Å; N122-T140 PolarHBondContact OD1-N 3.24Å
123	A	62.3	Low	61.2	Low	43 Å²	43	74.1 Å²	74.1	36%	0.355	39%	0.393	S	S	.	.			trans	-80.8	145.8	-178.2	0	0	0	0	0	111.4	V137 S138	A123-V137 WeakPolarHBondContact O-CA 3.49Å; A123-S138 WeakPolarHBondContact CB-OG 3.07Å; A123-S138 PolarHBondContact N-O 3.27Å; A123-S138 PolarHBondContact N-OG 2.76Å; A123-S138 VanDerWaalsContact N-OG 3.13Å; A123-S138 PolarHBondContact O-N 3.32Å
124	T	65.6	Low	61.5	Low	74 Å²	74	71.8 Å²	71.8	45%	0.454	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125	163.3	-66.4	0	0	0	0	107.9	R135 A136 V137	T124-R135 HydrophobicContact CG2-CG 4.35Å; T124-A136 CarbonylContact C-O 3.52Å; T124-A136 WeakPolarHBondContact CA-O 3.18Å; T124-V137 HydrophobicContact CG2-CG2 4.16Å
125	R	61.1	Low	62	Low	143 Å²	143	73.7 Å²	73.7	54%	0.54	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	151.8	170.3	-64.5	-176.7	-178.5	-84	3.8	108.6	W134 R135 A136 M488	R125-W134 HydrophobicContact CB-CH2 4.2Å; R125-W134 HydrophobicContact CB-CZ3 3.91Å; R125-R135 CarbonylContact O-C 3.57Å; R125-R135 WeakPolarHBondContact O-CA 3.39Å; R125-A136 HydrophobicContact CB-CB 4.48Å; R125-A136 PolarHBondContact N-O 3.11Å; R125-A136 PolarHBondContact O-N 2.96Å; R125-A136 VanDerWaalsContact O-O 3.07Å; R125-M488 PolarHBondContact NE-O 2.98Å
126	S	69.4	Low	62.6	Low	86 Å²	86	70.6 Å²	70.6	60%	0.601	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.1	150.5	172.4	46.3	0	0	0	0	110.2	W134	S126-W134 CarbonylContact C-O 3.5Å; S126-W134 WeakPolarHBondContact CA-O 3.16Å; S126-W134 WeakPolarHBondContact CB-O 3.35Å
127	G	63.4	Low	63	Low	25 Å²	25	66.7 Å²	66.7	26%	0.258	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	172.6	177.8	0	0	0	0	0	111.6	T133 W134	G127-T133 WeakPolarHBondContact O-CA 3.44Å; G127-W134 PolarHBondContact N-O 3.01Å; G127-W134 PolarHBondContact O-N 3.01Å
128	Q	66.7	Low	63.7	Low	143 Å²	143	65.3 Å²	65.3	67%	0.668	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.8	175.3	170.5	166.1	-6.1	0	0	108.3	G130 Q132 T133	Q128-G130 PolarHBondContact NE2-O 2.99Å; Q128-Q132 WeakPolarHBondContact CA-O 3.48Å; Q128-Q132 WeakPolarHBondContact CG-O 2.79Å; Q128-T133 HydrophobicContact CB-CG2 3.9Å; Q128-T133 HydrophobicContact CG-CG2 3.82Å
129	N	59.8	Low	64.3	Low	43 Å²	43	66 Å²	66	23%	0.23	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	123.9	169.6	-175.7	-4.4	0	0	0	107.8	N131 Q132 M498	N129-N131 PolarHBondContact O-N 2.86Å; N129-Q132 PolarHBondContact N-O 3.37Å; N129-Q132 PolarHBondContact O-N 3.3Å; N129-Q132 VanDerWaalsContact O-O 3.12Å; N129-M498 HydrophobicContact CB-CE 4.09Å
130	G	66.3	Low	64.7	Low	57 Å²	57	55.7 Å²	55.7	59%	0.588	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	-122	-174.9	0	0	0	0	0	113	Q128 Q132	Q128-G130 PolarHBondContact NE2-O 2.99Å; G130-Q132 VanDerWaalsContact C-N 3.31Å
131	N	65.7	Low	65.1	Low	70 Å²	70	54 Å²	54	37%	0.374	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	6.5	179.3	73.2	-28.2	0	0	0	114.3	N129 N156	N129-N131 PolarHBondContact O-N 2.86Å; N131-N156 HydrophobicContact CB-CB 4.41Å; N131-N156 VanDerWaalsContact CB-O 3.32Å; N131-N156 WeakPolarHBondContact CB-O 3.3Å; N131-N156 PolarHBondContact ND2-O 3.09Å; N131-N156 WeakPolarHBondContact O-CB 3.49Å; N131-N156 PolarHBondContact O-N 2.98Å
132	Q	65.8	Low	65.2	Low	50 Å²	50	57.5 Å²	57.5	23%	0.234	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	137.1	-175.7	-46.6	-164.2	31.6	0	0	111.4	Q128 N129 G130 H154 V155 M498	Q128-Q132 WeakPolarHBondContact CA-O 3.48Å; Q128-Q132 WeakPolarHBondContact CG-O 2.79Å; N129-Q132 PolarHBondContact N-O 3.37Å; N129-Q132 PolarHBondContact O-N 3.3Å; N129-Q132 VanDerWaalsContact O-O 3.12Å; G130-Q132 VanDerWaalsContact C-N 3.31Å; Q132-H154 CarbonylContact C-O 3.57Å; Q132-H154 VanDerWaalsContact CA-O 3.3Å; Q132-H154 WeakPolarHBondContact CA-O 3.41Å; Q132-V155 HydrophobicContact CG-CG1 4.26Å; Q132-V155 HydrophobicContact CG-CG2 4.12Å; Q132-M498 HydrophobicContact CB-CE 3.62Å; Q132-M498 HydrophobicContact CG-CE 4.07Å
133	T	67.2	Low	65	Low	38 Å²	38	59 Å²	59	23%	0.233	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.5	170.8	60.3	0	0	0	0	110.1	G127 Q128 I153 H154	G127-T133 WeakPolarHBondContact O-CA 3.44Å; Q128-T133 HydrophobicContact CB-CG2 3.9Å; Q128-T133 HydrophobicContact CG-CG2 3.82Å; T133-I153 CarbonylContact O-C 3.53Å; T133-I153 VanDerWaalsContact O-CA 3.31Å; T133-I153 WeakPolarHBondContact O-CA 3.31Å; T133-H154 PolarHBondContact N-O 2.86Å; T133-H154 PolarHBondContact O-N 2.82Å; T133-H154 PolarHBondContact OG1-CD2 3.13Å
134	W	70.4	Confident	65.2	Low	24 Å²	24	59 Å²	59	9%	0.091	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	154.5	-179.7	64.6	-103.3	0	0	0	112.5	R125 S126 G127 A136 L151 E152 I153	R125-W134 HydrophobicContact CB-CH2 4.2Å; R125-W134 HydrophobicContact CB-CZ3 3.91Å; S126-W134 CarbonylContact C-O 3.5Å; S126-W134 WeakPolarHBondContact CA-O 3.16Å; S126-W134 WeakPolarHBondContact CB-O 3.35Å; G127-W134 PolarHBondContact N-O 3.01Å; G127-W134 PolarHBondContact O-N 3.01Å; W134-A136 HydrophobicContact CZ3-CB 4.29Å; W134-L151 HydrophobicContact CE3-CD1 4.4Å; W134-E152 CarbonylContact C-O 3.46Å; W134-E152 VanDerWaalsContact CA-O 3.25Å; W134-E152 WeakPolarHBondContact CA-O 3.4Å; W134-I153 HydrophobicContact CB-CG1 4.02Å; W134-I153 HydrophobicContact CB-CG2 4.48Å
135	R	68	Low	64.8	Low	49 Å²	49	55.8 Å²	55.8	19%	0.185	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	115.3	179.4	-176.1	173.3	-176.8	-114.1	2.5	111.7	T124 R125 V137 L151 E152 I417 T421	T124-R135 HydrophobicContact CG2-CG 4.35Å; R125-R135 CarbonylContact O-C 3.57Å; R125-R135 WeakPolarHBondContact O-CA 3.39Å; R135-V137 HydrophobicContact CG-CG2 4.29Å; R135-L151 CarbonylContact O-C 3.53Å; R135-L151 WeakPolarHBondContact O-CA 3.46Å; R135-E152 PolarHBondContact N-O 3.32Å; R135-E152 PolarHBondContact O-N 3.38Å; R135-I417 VanDerWaalsContact NH1-C 3.34Å; R135-I417 PolarHBondContact NH1-O 3.46Å; R135-T421 PolarHBondContact NH1-OG1 2.77Å; R135-T421 VanDerWaalsContact NH1-OG1 3.15Å; R135-T421 PolarHBondContact NH2-OG1 3.13Å
136	A	67.8	Low	64.9	Low	7 Å²	7	51 Å²	51	6%	0.058	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	136.9	172.7	0	0	0	0	0	110.7	T124 R125 W134 F149 S150 L151	T124-A136 CarbonylContact C-O 3.52Å; T124-A136 WeakPolarHBondContact CA-O 3.18Å; R125-A136 HydrophobicContact CB-CB 4.48Å; R125-A136 PolarHBondContact N-O 3.11Å; R125-A136 PolarHBondContact O-N 2.96Å; R125-A136 VanDerWaalsContact O-O 3.07Å; W134-A136 HydrophobicContact CZ3-CB 4.29Å; A136-F149 HydrophobicContact CB-CE2 3.94Å; A136-F149 HydrophobicContact CB-CZ 4.11Å; A136-S150 CarbonylContact C-O 3.54Å; A136-S150 WeakPolarHBondContact CA-O 3.4Å; A136-L151 HydrophobicContact CB-CD1 3.97Å
137	V	68.7	Low	64.7	Low	5 Å²	5	47.1 Å²	47.1	3%	0.03	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	115.9	176.8	-179.2	0	0	0	0	109	A123 T124 R135 R139 F149 S150 I417 T421	A123-V137 WeakPolarHBondContact O-CA 3.49Å; T124-V137 HydrophobicContact CG2-CG2 4.16Å; R135-V137 HydrophobicContact CG-CG2 4.29Å; V137-R139 HydrophobicContact CG1-CG 4.18Å; V137-F149 CarbonylContact O-C 3.55Å; V137-F149 WeakPolarHBondContact O-CA 3.4Å; V137-S150 PolarHBondContact N-O 3.23Å; V137-S150 PolarHBondContact O-N 2.97Å; V137-I417 HydrophobicContact CB-CG2 4.26Å; V137-I417 HydrophobicContact CG2-CG2 3.83Å; V137-T421 HydrophobicContact CG1-CG2 4.27Å
138	S	68.3	Low	64.9	Low	6 Å²	6	50.4 Å²	50.4	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	148	164.3	69.8	0	0	0	0	110.2	N122 A123 R148	N122-S138 CarbonylContact C-O 3.5Å; N122-S138 WeakPolarHBondContact CA-O 3.43Å; A123-S138 WeakPolarHBondContact CB-OG 3.07Å; A123-S138 PolarHBondContact N-O 3.27Å; A123-S138 PolarHBondContact N-OG 2.76Å; A123-S138 VanDerWaalsContact N-OG 3.13Å; A123-S138 PolarHBondContact O-N 3.32Å; S138-R148 CarbonylContact C-O 3.57Å; S138-R148 WeakPolarHBondContact CA-O 3.44Å
139	R	67.3	Low	64.9	Low	94 Å²	94	43.8 Å²	43.8	36%	0.355	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	141.1	167.9	-58.9	-167.7	-160.9	-169.5	12.5	110.3	G121 N122 V137 R148 R420 T421	G121-R139 CarbonylContact O-C 3.43Å; G121-R139 WeakPolarHBondContact O-CA 3.46Å; N122-R139 VanDerWaalsContact OD1-CA 3.25Å; N122-R139 WeakPolarHBondContact OD1-CA 3.17Å; N122-R139 WeakPolarHBondContact OD1-CB 3.32Å; V137-R139 HydrophobicContact CG1-CG 4.18Å; R139-R148 PolarHBondContact N-O 2.83Å; R139-R148 PolarHBondContact O-N 2.85Å; R139-R420 PolarHBondContact NH2-O 3.18Å; R139-T421 VanDerWaalsContact NH2-CG2 3.27Å
140	T	63.8	Low	65.3	Low	9 Å²	9	42.6 Å²	42.6	6%	0.055	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	117.8	173.3	-47.5	0	0	0	0	108.7	R118 G121 N122 P142	R118-T140 HydrophobicContact CG-CG2 3.72Å; G121-T140 PolarHBondContact O-N 3.34Å; G121-T140 PolarHBondContact O-OG1 3.19Å; G121-T140 VanDerWaalsContact O-OG1 3.11Å; N122-T140 PolarHBondContact OD1-N 3.24Å; T140-P142 WeakPolarHBondContact O-CD 3.47Å
141	N	62.3	Low	65.4	Low	61 Å²	61	40.2 Å²	40.2	33%	0.326	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	109.9	176.6	177.6	-1.4	0	0	0	109.6	N143 N144 G145 E146	N141-N143 VanDerWaalsContact C-N 3.25Å; N141-N143 PolarHBondContact O-N 2.78Å; N141-N143 PolarHBondContact OD1-N 2.82Å; N141-N144 WeakPolarHBondContact CB-OD1 3.39Å; N141-N144 VanDerWaalsContact ND2-CG 3.32Å; N141-N144 PolarHBondContact ND2-ND2 2.81Å; N141-N144 PolarHBondContact ND2-OD1 3.38Å; N141-N144 PolarHBondContact O-N 3.15Å; N141-N144 PolarHBondContact O-OD1 2.85Å; N141-G145 PolarHBondContact O-N 2.87Å; N141-E146 HydrophobicContact CB-CB 4.34Å; N141-E146 PolarHBondContact N-O 2.92Å
142	P	55.7	Low	65.6	Low	74 Å²	74	37 Å²	37	48%	0.481	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.3	-172.8	26.3	-34.3	0	0	0	112.7	R118 T140 N144	R118-P142 PolarHBondContact NH1-O 3.04Å; T140-P142 WeakPolarHBondContact O-CD 3.47Å; P142-N144 VanDerWaalsContact C-N 3.34Å; P142-N144 PolarHBondContact O-N 2.74Å
143	N	60.1	Low	65.7	Low	137 Å²	137	34.9 Å²	34.9	73%	0.733	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-19.6	-172.2	-62.2	2.7	0	0	0	113	N141 R465	N141-N143 VanDerWaalsContact C-N 3.25Å; N141-N143 PolarHBondContact O-N 2.78Å; N141-N143 PolarHBondContact OD1-N 2.82Å; N143-R465 PolarHBondContact O-NH2 3.13Å; N143-R465 VanDerWaalsContact O-NH2 3.14Å
144	N	66.2	Low	65.7	Low	45 Å²	45	35.6 Å²	35.6	24%	0.241	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.8	-1	-179.2	73.5	-9.6	0	0	0	115.5	N141 P142 E146 R465	N141-N144 WeakPolarHBondContact CB-OD1 3.39Å; N141-N144 VanDerWaalsContact ND2-CG 3.32Å; N141-N144 PolarHBondContact ND2-ND2 2.81Å; N141-N144 PolarHBondContact ND2-OD1 3.38Å; N141-N144 PolarHBondContact O-N 3.15Å; N141-N144 PolarHBondContact O-OD1 2.85Å; P142-N144 VanDerWaalsContact C-N 3.34Å; P142-N144 PolarHBondContact O-N 2.74Å; N144-E146 WeakPolarHBondContact ND2-CB 3.24Å; N144-E146 PolarHBondContact ND2-OE2 2.88Å; N144-E146 PolarHBondContact O-N 3.02Å; N144-E146 WeakPolarHBondContact OD1-CB 3.42Å; N144-E146 PolarHBondContact OD1-N 3.32Å; N144-R465 VanDerWaalsContact O-CD 3.25Å; N144-R465 WeakPolarHBondContact O-CD 3.49Å; N144-R465 WeakPolarHBondContact O-CG 3.45Å; N144-R465 PolarHBondContact O-NE 2.94Å; N144-R465 VanDerWaalsContact O-NE 3.1Å
145	G	56.9	Low	65.5	Low	5 Å²	5	34.8 Å²	34.8	5%	0.052	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	27.8	-177.7	0	0	0	0	0	112.6	N141 L464	N141-G145 PolarHBondContact O-N 2.87Å; G145-L464 WeakPolarHBondContact O-CB 3.43Å; G145-L464 WeakPolarHBondContact O-CD1 3.27Å; G145-L464 WeakPolarHBondContact O-CG 3.23Å; G145-L464 PolarHBondContact O-N 2.77Å
146	E	64.2	Low	65.2	Low	44 Å²	44	33.9 Å²	33.9	21%	0.206	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	107.1	174.9	-172.4	-170.3	170.5	0	0	108.5	N141 N144 R148 T461	N141-E146 HydrophobicContact CB-CB 4.34Å; N141-E146 PolarHBondContact N-O 2.92Å; N144-E146 WeakPolarHBondContact ND2-CB 3.24Å; N144-E146 PolarHBondContact ND2-OE2 2.88Å; N144-E146 PolarHBondContact O-N 3.02Å; N144-E146 WeakPolarHBondContact OD1-CB 3.42Å; N144-E146 PolarHBondContact OD1-N 3.32Å; E146-R148 HydrophobicContact CG-CG 3.9Å; E146-R148 VanDerWaalsContact OE1-CD 3.31Å; E146-R148 WeakPolarHBondContact OE1-CD 3.28Å; E146-R148 IonicContact OE1-CZ 2.7Å; E146-R148 IonicContact OE1-NE 2.77Å; E146-R148 IonicContact OE1-NH1 3.6Å; E146-R148 PolarHBondContact OE1-NH1 3.49Å; E146-T461 HydrophobicContact CG-CG2 3.68Å
147	F	64.2	Low	64.8	Low	3 Å²	3	38.2 Å²	38.2	1%	0.013	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	133	166	175.1	-91.4	0	0	0	108.8	F117 F149 V462 L464 L484 I487 M488	F117-F147 HydrophobicContact CE1-CE2 4.13Å; F147-F149 HydrophobicContact CE1-CB 3.87Å; F147-F149 HydrophobicContact CZ-CB 4.26Å; F147-V462 HydrophobicContact CB-CB 4.3Å; F147-V462 HydrophobicContact CD1-CB 4.29Å; F147-V462 HydrophobicContact CD1-CG2 3.99Å; F147-V462 PolarHBondContact N-O 2.71Å; F147-V462 VanDerWaalsContact N-O 3.08Å; F147-V462 PolarHBondContact O-N 3.13Å; F147-L464 HydrophobicContact CB-CD1 4.12Å; F147-L464 HydrophobicContact CB-CG 4.41Å; F147-L484 HydrophobicContact CD1-CD2 3.76Å; F147-L484 HydrophobicContact CE1-CD2 3.69Å; F147-L484 HydrophobicContact CE2-CD2 4.46Å; F147-L484 HydrophobicContact CG-CD2 4.19Å; F147-L484 HydrophobicContact CZ-CD2 4.06Å; F147-I487 HydrophobicContact CE1-CG2 4.4Å; F147-I487 HydrophobicContact CZ-CG2 4.47Å; F147-M488 HydrophobicContact CE2-SD 3.77Å; F147-M488 HydrophobicContact CZ-CG 4.3Å; F147-M488 HydrophobicContact CZ-SD 3.83Å
148	R	67.9	Low	64	Low	95 Å²	95	44.9 Å²	44.9	36%	0.358	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	113.6	179.8	-59.4	-172.9	68	93.9	14	109.2	S138 R139 E146 I460 T461	S138-R148 CarbonylContact C-O 3.57Å; S138-R148 WeakPolarHBondContact CA-O 3.44Å; R139-R148 PolarHBondContact N-O 2.83Å; R139-R148 PolarHBondContact O-N 2.85Å; E146-R148 HydrophobicContact CG-CG 3.9Å; E146-R148 VanDerWaalsContact OE1-CD 3.31Å; E146-R148 WeakPolarHBondContact OE1-CD 3.28Å; E146-R148 IonicContact OE1-CZ 2.7Å; E146-R148 IonicContact OE1-NE 2.77Å; E146-R148 IonicContact OE1-NH1 3.6Å; E146-R148 PolarHBondContact OE1-NH1 3.49Å; R148-I460 CarbonylContact C-O 3.46Å; R148-I460 WeakPolarHBondContact CA-O 3.49Å; R148-T461 HydrophobicContact CG-CG2 4.27Å
149	F	67.1	Low	62.8	Low	4 Å²	4	52.1 Å²	52.1	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	150.8	165.2	172.8	-89.9	0	0	0	109.6	A136 V137 F147 L151 T459 I460 I487 F491	A136-F149 HydrophobicContact CB-CE2 3.94Å; A136-F149 HydrophobicContact CB-CZ 4.11Å; V137-F149 CarbonylContact O-C 3.55Å; V137-F149 WeakPolarHBondContact O-CA 3.4Å; F147-F149 HydrophobicContact CE1-CB 3.87Å; F147-F149 HydrophobicContact CZ-CB 4.26Å; F149-L151 HydrophobicContact CE1-CB 3.81Å; F149-L151 HydrophobicContact CZ-CB 3.98Å; F149-T459 CarbonylContact O-C 3.58Å; F149-T459 WeakPolarHBondContact O-CA 3.34Å; F149-I460 HydrophobicContact CB-CB 4.31Å; F149-I460 HydrophobicContact CD1-CD1 3.93Å; F149-I460 HydrophobicContact CD1-CG1 4.3Å; F149-I460 PolarHBondContact N-O 3.02Å; F149-I460 PolarHBondContact O-N 2.96Å; F149-I487 HydrophobicContact CB-CG2 3.82Å; F149-I487 HydrophobicContact CD1-CG2 4.15Å; F149-I487 HydrophobicContact CD2-CG2 3.45Å; F149-I487 VanDerWaalsContact CD2-CG2 3.45Å; F149-I487 HydrophobicContact CE2-CG2 4.01Å; F149-I487 VanDerWaalsContact CE2-O 3.31Å; F149-I487 WeakPolarHBondContact CE2-O 3.46Å; F149-I487 HydrophobicContact CG-CG2 3.53Å; F149-F491 HydrophobicContact CE1-CE2 4.2Å; F149-F491 HydrophobicContact CE1-CZ 4.09Å; F149-F491 HydrophobicContact CE2-CD2 4.3Å; F149-F491 AromaticContact CE2-CE2 3.83Å; F149-F491 HydrophobicContact CE2-CE2 3.83Å; F149-F491 HydrophobicContact CE2-CZ 4.44Å; F149-F491 HydrophobicContact CZ-CD2 4.13Å; F149-F491 HydrophobicContact CZ-CE1 4.4Å; F149-F491 AromaticContact CZ-CE2 3.36Å; F149-F491 HydrophobicContact CZ-CE2 3.36Å; F149-F491 AromaticContact CZ-CZ 3.54Å; F149-F491 HydrophobicContact CZ-CZ 3.54Å
150	S	67.2	Low	61.5	Low	17 Å²	17	57.8 Å²	57.8	12%	0.119	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	134.7	172.8	-56.2	0	0	0	0	110.9	A136 V137 S458 T459	A136-S150 CarbonylContact C-O 3.54Å; A136-S150 WeakPolarHBondContact CA-O 3.4Å; V137-S150 PolarHBondContact N-O 3.23Å; V137-S150 PolarHBondContact O-N 2.97Å; S150-S458 CarbonylContact C-O 3.52Å; S150-S458 VanDerWaalsContact CA-O 3.24Å; S150-S458 WeakPolarHBondContact CA-O 3.4Å; S150-T459 WeakPolarHBondContact OG-CB 3.09Å; S150-T459 WeakPolarHBondContact OG-CG2 3.48Å
151	L	68.6	Low	60	Low	7 Å²	7	60.2 Å²	60.2	4%	0.037	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.2	177.5	-178.1	73.1	0	0	0	109	W134 R135 A136 F149 I153 V457 S458 F491	W134-L151 HydrophobicContact CE3-CD1 4.4Å; R135-L151 CarbonylContact O-C 3.53Å; R135-L151 WeakPolarHBondContact O-CA 3.46Å; A136-L151 HydrophobicContact CB-CD1 3.97Å; F149-L151 HydrophobicContact CE1-CB 3.81Å; F149-L151 HydrophobicContact CZ-CB 3.98Å; L151-I153 HydrophobicContact CD2-CD1 3.88Å; L151-I153 HydrophobicContact CD2-CG1 4.15Å; L151-I153 HydrophobicContact CG-CD1 4.35Å; L151-I153 HydrophobicContact CG-CG1 4.05Å; L151-V457 CarbonylContact O-C 3.57Å; L151-V457 VanDerWaalsContact O-CA 3.28Å; L151-V457 WeakPolarHBondContact O-CA 3.36Å; L151-S458 PolarHBondContact N-O 3.3Å; L151-S458 PolarHBondContact O-N 2.87Å; L151-F491 HydrophobicContact CD1-CD1 4.16Å; L151-F491 HydrophobicContact CD1-CE1 3.96Å; L151-F491 HydrophobicContact CD2-CD1 4.43Å; L151-F491 HydrophobicContact CD2-CE1 3.55Å; L151-F491 HydrophobicContact CD2-CZ 4.13Å; L151-F491 HydrophobicContact CG-CE1 4.35Å
152	E	70.3	Confident	58.5	Low	2 Å²	2	66.4 Å²	66.4	1%	0.009	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.3	172.5	178.1	165.9	-145.1	0	0	107.6	W134 R135 H154 S416 I417 T455 Y456 V457	W134-E152 CarbonylContact C-O 3.46Å; W134-E152 VanDerWaalsContact CA-O 3.25Å; W134-E152 WeakPolarHBondContact CA-O 3.4Å; R135-E152 PolarHBondContact N-O 3.32Å; R135-E152 PolarHBondContact O-N 3.38Å; E152-H154 IonicContact OE1-CE1 2.7Å; E152-H154 IonicContact OE1-NE2 3.15Å; E152-S416 VanDerWaalsContact OE1-CA 3.28Å; E152-S416 WeakPolarHBondContact OE1-CA 3.45Å; E152-S416 VanDerWaalsContact OE1-CB 3.26Å; E152-S416 WeakPolarHBondContact OE1-CB 3.5Å; E152-S416 PolarHBondContact OE1-OG 2.83Å; E152-S416 PolarHBondContact OE2-OG 3.32Å; E152-I417 HydrophobicContact CB-CD1 3.56Å; E152-I417 HydrophobicContact CB-CG1 3.97Å; E152-I417 PolarHBondContact OE1-N 2.92Å; E152-I417 WeakPolarHBondContact OE2-CA 3.17Å; E152-I417 WeakPolarHBondContact OE2-CB 3.38Å; E152-I417 WeakPolarHBondContact OE2-CG1 3.33Å; E152-I417 PolarHBondContact OE2-N 3.4Å; E152-T455 HydrophobicContact CG-CG2 4.1Å; E152-Y456 CarbonylContact C-O 3.45Å; E152-Y456 WeakPolarHBondContact CA-O 3.36Å; E152-V457 HydrophobicContact CB-CG2 4.05Å; E152-V457 HydrophobicContact CG-CG2 3.91Å
153	I	67.1	Low	57.5	Low	7 Å²	7	71.1 Å²	71.1	4%	0.036	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	125.7	178.2	-51.9	175.3	0	0	0	107.6	T133 W134 L151 V155 T455 Y456 L593	T133-I153 CarbonylContact O-C 3.53Å; T133-I153 VanDerWaalsContact O-CA 3.31Å; T133-I153 WeakPolarHBondContact O-CA 3.31Å; W134-I153 HydrophobicContact CB-CG1 4.02Å; W134-I153 HydrophobicContact CB-CG2 4.48Å; L151-I153 HydrophobicContact CD2-CD1 3.88Å; L151-I153 HydrophobicContact CD2-CG1 4.15Å; L151-I153 HydrophobicContact CG-CD1 4.35Å; L151-I153 HydrophobicContact CG-CG1 4.05Å; I153-V155 HydrophobicContact CG2-CG2 4.32Å; I153-T455 CarbonylContact O-C 3.58Å; I153-T455 VanDerWaalsContact O-CA 3.3Å; I153-T455 WeakPolarHBondContact O-CA 3.13Å; I153-Y456 PolarHBondContact N-O 3.26Å; I153-Y456 PolarHBondContact O-N 2.74Å; I153-L593 HydrophobicContact CD1-CD1 3.8Å; I153-L593 HydrophobicContact CD1-CD2 4.13Å; I153-L593 HydrophobicContact CG2-CD2 4.46Å
154	H	67.5	Low	56.5	Low	52 Å²	52	71.4 Å²	71.4	24%	0.241	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.8	173.5	-48.4	-81.2	0	0	0	109.2	Q132 T133 E152 I453 T455	Q132-H154 CarbonylContact C-O 3.57Å; Q132-H154 VanDerWaalsContact CA-O 3.3Å; Q132-H154 WeakPolarHBondContact CA-O 3.41Å; T133-H154 PolarHBondContact N-O 2.86Å; T133-H154 PolarHBondContact O-N 2.82Å; T133-H154 PolarHBondContact OG1-CD2 3.13Å; E152-H154 IonicContact OE1-CE1 2.7Å; E152-H154 IonicContact OE1-NE2 3.15Å; H154-I453 HydrophobicContact CB-CG2 4.16Å; H154-T455 WeakPolarHBondContact ND1-CG2 3.13Å; H154-T455 PolarHBondContact ND1-OG1 2.68Å
155	V	66.8	Low	54.8	Low	8 Å²	8	77.9 Å²	77.9	5%	0.048	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.9	177.3	-178.7	0	0	0	0	109.1	Q132 I153 I453 R454 Y456	Q132-V155 HydrophobicContact CG-CG1 4.26Å; Q132-V155 HydrophobicContact CG-CG2 4.12Å; I153-V155 HydrophobicContact CG2-CG2 4.32Å; V155-I453 WeakPolarHBondContact O-CA 3.46Å; V155-I453 WeakPolarHBondContact O-CG2 3.47Å; V155-R454 PolarHBondContact N-O 3.07Å; V155-R454 PolarHBondContact O-N 3.45Å; V155-Y456 HydrophobicContact CG2-CD2 4.37Å; V155-Y456 HydrophobicContact CG2-CE2 4.23Å
156	N	62.1	Low	53.8	Low	30 Å²	30	80.3 Å²	80.3	16%	0.16	40%	0.401	C	S	.	.			trans	-98.9	104.3	-178.9	-61.2	-24.7	0	0	0	110.6	N131 E158 I453	N131-N156 HydrophobicContact CB-CB 4.41Å; N131-N156 VanDerWaalsContact CB-O 3.32Å; N131-N156 WeakPolarHBondContact CB-O 3.3Å; N131-N156 PolarHBondContact ND2-O 3.09Å; N131-N156 WeakPolarHBondContact O-CB 3.49Å; N131-N156 PolarHBondContact O-N 2.98Å; N156-E158 VanDerWaalsContact C-N 3.29Å; N156-E158 PolarHBondContact O-N 3.27Å; N156-E158 VanDerWaalsContact O-N 3.07Å; N156-I453 WeakPolarHBondContact OD1-CG2 3.38Å
157	H	58.1	Low	52.6	Low	98 Å²	98	87.6 Å²	87.6	45%	0.454	44%	0.435	S	S	.	.			trans	-80.2	84.6	162	-78.5	-89.3	0	0	0	109.4	E596	H157-E596 IonicContact NE2-OE2 3.99Å
158	E	52.5	Low	51.2	Low	144 Å²	144	94.8 Å²	94.8	67%	0.673	47%	0.474	S	S	*	.			trans	-76.3	132.3	156.7	-61	-167.2	162	0	0	107.8	N156 R160	N156-E158 VanDerWaalsContact C-N 3.29Å; N156-E158 PolarHBondContact O-N 3.27Å; N156-E158 VanDerWaalsContact O-N 3.07Å; E158-R160 PolarHBondContact O-N 2.92Å; E158-R160 VanDerWaalsContact O-N 3.15Å
159	N	43.1	Very low	49.8	Very low	158 Å²	158	100.8 Å²	100.8	85%	0.845	50%	0.498	S	S	*	.			trans	-61.9	118.3	-177.9	-79.3	13.1	0	0	0	110.1	G161	N159-G161 PolarHBondContact O-N 3.32Å
160	R	39.8	Very low	48.3	Very low	214 Å²	214	106.3 Å²	106.3	81%	0.808	53%	0.532	S	S	*	.			trans	-63.9	102.4	150.8	-79	-169.7	176.3	-172.1	1.7	107	E158 F162	E158-R160 PolarHBondContact O-N 2.92Å; E158-R160 VanDerWaalsContact O-N 3.15Å; R160-F162 PolarHBondContact O-N 3.34Å
161	G	31.9	Very low	46.8	Very low	59 Å²	59	112 Å²	112	61%	0.608	56%	0.562	S	S	*	*			trans	-68.4	128.4	177.4	0	0	0	0	0	110.8	N159 E163	N159-G161 PolarHBondContact O-N 3.32Å; G161-E163 PolarHBondContact O-N 2.82Å; G161-E163 VanDerWaalsContact O-N 3.08Å
162	F	32.3	Very low	45.2	Very low	192 Å²	192	117.9 Å²	117.9	84%	0.842	59%	0.591	S	S	*	*			trans	-79.3	72	160.8	-84	-89.5	0	0	0	109	R160 I164	R160-F162 PolarHBondContact O-N 3.34Å; F162-I164 VanDerWaalsContact C-N 3.26Å; F162-I164 HydrophobicContact CD1-CD1 4.44Å; F162-I164 HydrophobicContact CD1-CG1 4.5Å; F162-I164 PolarHBondContact O-N 3Å; F162-I164 VanDerWaalsContact O-N 3.12Å
163	E	33.9	Very low	43.5	Very low	173 Å²	173	123.7 Å²	123.7	81%	0.808	63%	0.629	S	S	*	*			trans	-80.3	79.1	165.4	-70.9	-172.7	164.6	0	0	108.7	G161 H165	G161-E163 PolarHBondContact O-N 2.82Å; G161-E163 VanDerWaalsContact O-N 3.08Å; E163-H165 VanDerWaalsContact C-N 3.33Å; E163-H165 PolarHBondContact O-N 3.03Å
164	I	38.9	Very low	42.1	Very low	142 Å²	142	131.5 Å²	131.5	73%	0.728	67%	0.671	S	S	*	*			trans	-76.2	91	169.5	-57.5	179.3	0	0	0	107.5	F162 G166	F162-I164 VanDerWaalsContact C-N 3.26Å; F162-I164 HydrophobicContact CD1-CD1 4.44Å; F162-I164 HydrophobicContact CD1-CG1 4.5Å; F162-I164 PolarHBondContact O-N 3Å; F162-I164 VanDerWaalsContact O-N 3.12Å; I164-G166 PolarHBondContact O-N 2.89Å
165	H	31.5	Very low	40.4	Very low	182 Å²	182	134.5 Å²	134.5	84%	0.843	70%	0.697	S	S	*	*			trans	-67.4	120.3	155.9	-89.3	-82.1	0	0	0	108	E163	E163-H165 VanDerWaalsContact C-N 3.33Å; E163-H165 PolarHBondContact O-N 3.03Å
166	G	35.9	Very low	39	Very low	56 Å²	56	141.6 Å²	141.6	58%	0.577	74%	0.735	S	S	*	*			trans	-154.7	66.2	-170	0	0	0	0	0	113	I164	I164-G166 PolarHBondContact O-N 2.89Å
167	E	37.4	Very low	37.7	Very low	196 Å²	196	144.1 Å²	144.1	92%	0.916	76%	0.755	S	S	*	*			trans	60.1	143.9	148	-66.2	164.7	-138.5	0	0	120.5
168	D	34.7	Very low	36.7	Very low	154 Å²	154	146 Å²	146	82%	0.824	77%	0.768	S	S	*	*			trans	-72.8	131.5	-178.4	-76.4	-64.8	0	0	0	112.7
169	Y	39.9	Very low	35.9	Very low	222 Å²	222	148.8 Å²	148.8	87%	0.871	77%	0.773	S	S	*	*			trans	-142.3	96.4	151.3	-151	-88.7	0	0	0	111.7
170	T	35.6	Very low	35.7	Very low	119 Å²	119	145.8 Å²	145.8	73%	0.73	76%	0.757	S	S	*	*			trans	-79	123.3	170	50.8	0	0	0	0	110.6
171	D	34.2	Very low	35.7	Very low	138 Å²	138	143.3 Å²	143.3	74%	0.738	75%	0.754	S	S	*	*				-164	163.9	126.4	-133.4	-29	0	0	0	115.4
172	I	37	Very low	35.8	Very low	129 Å²	129	147.5 Å²	147.5	66%	0.662	77%	0.768	S	S	*	*			trans	61.6	100.6	160.4	-56.4	155.8	0	0	0	117.5	L174	I172-L174 HydrophobicContact CG2-CG 4.48Å
173	P	33.3	Very low	36.1	Very low	124 Å²	124	143.3 Å²	143.3	81%	0.805	77%	0.768	S	S	*	*			trans	-87.8	133.9	161	34	-30.3	0	0	0	111.9
174	L	38.7	Very low	36.2	Very low	172 Å²	172	142.8 Å²	142.8	90%	0.901	77%	0.772	S	S	*	*			trans	-111.5	101.4	168.9	-84.5	168	0	0	0	110.8	I172	I172-L174 HydrophobicContact CG2-CG 4.48Å
175	S	31.1	Very low	36	Very low	115 Å²	115	147 Å²	147	80%	0.804	78%	0.778	S	S	*	*			trans	-94.1	130.6	172.4	57.8	0	0	0	0	111.3
176	D	36.9	Very low	36.2	Very low	156 Å²	156	145.5 Å²	145.5	83%	0.834	77%	0.772	S	S	*	*			trans	-139.6	175.8	154.3	-147.8	-22.2	0	0	0	110.4
177	S	35.3	Very low	36.3	Very low	84 Å²	84	150.1 Å²	150.1	59%	0.587	78%	0.778	S	S	*	*				-136.3	-177.6	-127.7	62.5	0	0	0	0	114.7
178	N	37.4	Very low	36.1	Very low	137 Å²	137	150.7 Å²	150.7	73%	0.733	77%	0.772	S	S	*	*			trans	83.5	147.4	-175	-54.3	-87.6	0	0	0	114.6
179	R	36.2	Very low	36.1	Very low	202 Å²	202	148.3 Å²	148.3	76%	0.762	77%	0.767	S	S	*	*			cis	-169.5	161.5	-10.9	-107.5	170.4	85	-177.9	7.7	106.3
180	D	38.8	Very low	36	Very low	95 Å²	95	145 Å²	145	51%	0.508	77%	0.77	S	S	.	*			cis	-159.5	173.4	-1.1	-140.8	-34.8	0	0	0	110.5
181	H	38.9	Very low	35.9	Very low	163 Å²	163	144.4 Å²	144.4	76%	0.755	77%	0.771	S	S	*	*			trans	69	104.2	153.7	-65.3	5.4	0	0	0	120.7
182	T	33.4	Very low	36.6	Very low	147 Å²	147	143.1 Å²	143.1	90%	0.902	77%	0.77	S	S	*	*			trans	-79.1	152.1	162.2	42.7	0	0	0	0	113.2
183	A	39.7	Very low	36.8	Very low	103 Å²	103	143.2 Å²	143.2	85%	0.851	78%	0.777	S	S	*	*			trans	-152.9	126.7	158.2	0	0	0	0	0	113.1
184	N	36.4	Very low	37.1	Very low	163 Å²	163	141.6 Å²	141.6	87%	0.872	77%	0.773	S	S	*	*			trans	-63.3	154.2	165.1	-88.7	-68.8	0	0	0	111.4
185	R	33.1	Very low	37.1	Very low	230 Å²	230	145.5 Å²	145.5	87%	0.868	78%	0.776	S	S	*	*				172.6	145.5	97.3	-161.1	166.7	-164.2	163.7	3.1	114.7
186	Q	36.8	Very low	37.4	Very low	151 Å²	151	151.6 Å²	151.6	71%	0.706	78%	0.782	S	S	*	*			trans	-52.7	162.7	176.5	-53.6	157	-20	0	0	117.4
187	Q	38.4	Very low	37.5	Very low	152 Å²	152	150.7 Å²	150.7	71%	0.71	78%	0.782	S	S	*	*			trans	117.3	127.2	140.8	-61.8	-159.6	12.2	0	0	120.6
188	R	32.3	Very low	37.7	Very low	209 Å²	209	156.8 Å²	156.8	79%	0.789	79%	0.792	S	S	*	*			trans	67.1	94.9	137.4	-69.7	176.4	-177.6	-114.5	-1.3	121.6
189	S	34.6	Very low	37.8	Very low	103 Å²	103	154.8 Å²	154.8	72%	0.72	79%	0.789	S	S	*	*				49.6	119.2	118.1	64.7	0	0	0	0	122.2
190	T	38.7	Very low	38	Very low	152 Å²	152	151.4 Å²	151.4	93%	0.933	78%	0.782	S	S	*	*			trans	-155.8	152.6	134.3	17.6	0	0	0	0	112.1
191	S	32.5	Very low	37.9	Very low	108 Å²	108	152.7 Å²	152.7	76%	0.755	79%	0.793	S	S	*	*			trans	-135.7	158.4	167.3	-176.2	0	0	0	0	106.9
192	P	48.9	Very low	37.9	Very low	111 Å²	111	149.5 Å²	149.5	72%	0.721	79%	0.789	S	S	*	*				-159.9	-174.8	104.7	35.5	-12.3	0	0	0	117.3
193	V	41.4	Very low	38.3	Very low	131 Å²	131	148 Å²	148	79%	0.794	78%	0.78	S	S	*	*			trans	72	115.8	161.8	-164.2	0	0	0	0	117.1
194	A	39	Very low	38.2	Very low	89 Å²	89	149.4 Å²	149.4	74%	0.736	77%	0.773	S	S	*	*			cis	93.2	123	7.2	0	0	0	0	0	119.5
195	R	40.1	Very low	38.3	Very low	255 Å²	255	151.8 Å²	151.8	96%	0.962	78%	0.776	S	S	*	*			trans	-147.5	149.1	150.6	-103.5	-174.9	-179.4	-150.7	-1.9	110.5
196	R	36	Very low	38.5	Very low	243 Å²	243	148.6 Å²	148.6	92%	0.917	78%	0.776	S	S	*	*			trans	-141.9	153.5	-172.5	-78	178.5	166.6	-177.5	-3.6	111.9
197	T	40.3	Very low	38.6	Very low	137 Å²	137	144.3 Å²	144.3	84%	0.84	77%	0.773	S	S	*	*			trans	-153.5	119.6	141.3	20.2	0	0	0	0	107.4
198	R	39.2	Very low	38.6	Very low	211 Å²	211	142.5 Å²	142.5	80%	0.796	78%	0.777	S	S	*	*				63	130.7	83.4	-125	-165.5	167.8	160.3	-1.7	111.6
199	S	38.3	Very low	39	Very low	96 Å²	96	138 Å²	138	67%	0.671	78%	0.778	S	S	*	*			cis	-162.6	177.7	19.7	-27.3	0	0	0	0	109
200	Q	41.4	Very low	39.3	Very low	131 Å²	131	137.2 Å²	137.2	61%	0.612	77%	0.772	S	S	*	*			cis	-172.5	155.5	-13.8	-121.9	163.5	-122.6	0	0	110
201	T	36.1	Very low	39.3	Very low	121 Å²	121	137 Å²	137	74%	0.742	77%	0.765	S	S	*	*			trans	35.2	148.3	145.9	52.4	0	0	0	0	123.8
202	S	39.9	Very low	39.7	Very low	96 Å²	96	139.6 Å²	139.6	67%	0.671	77%	0.769	S	S	*	*			cis	179.6	159.7	-4.4	48.9	0	0	0	0	114.7
203	V	41.3	Very low	39.4	Very low	117 Å²	117	140 Å²	140	71%	0.709	77%	0.771	S	S	*	*			trans	62.4	119.1	153.3	-66.6	0	0	0	0	124.4
204	N	37.4	Very low	39.3	Very low	132 Å²	132	144.9 Å²	144.9	71%	0.706	78%	0.776	S	S	*	*				50.7	132.2	124.2	-49.5	1.2	0	0	0	122.5
205	F	39	Very low	39	Very low	212 Å²	212	145.9 Å²	145.9	93%	0.93	77%	0.772	S	S	*	*				-163.3	179.6	99.8	-107.6	-72.3	0	0	0	111.7
206	N	37.9	Very low	38.9	Very low	163 Å²	163	144.5 Å²	144.5	87%	0.872	77%	0.767	S	S	*	*			trans	-125.2	153.3	-151.1	-134.5	17.4	0	0	0	115
207	G	37.3	Very low	39	Very low	62 Å²	62	139.8 Å²	139.8	64%	0.639	76%	0.759	S	S	*	*			trans	96.6	159.6	158	0	0	0	0	0	117.5
208	S	39.4	Very low	38.7	Very low	114 Å²	114	137.7 Å²	137.7	80%	0.797	76%	0.756	S	S	*	*			cis	-166.8	156.8	-12.2	-94.7	0	0	0	0	111.2
209	S	39.5	Very low	38.8	Very low	115 Å²	115	133.8 Å²	133.8	80%	0.804	76%	0.761	S	S	*	*			trans	66.9	167	160.6	-58.7	0	0	0	0	119.1
210	S	40.9	Very low	38.6	Very low	86 Å²	86	139.5 Å²	139.5	60%	0.601	77%	0.768	S	S	*	*				-172.7	143.6	-53.7	57.3	0	0	0	0	111.9
211	N	39.4	Very low	38.5	Very low	148 Å²	148	136.5 Å²	136.5	79%	0.791	77%	0.772	S	S	*	*			trans	78	157.6	152.5	-54.3	-29.8	0	0	0	121.8
212	I	42.1	Very low	38.8	Very low	161 Å²	161	137.7 Å²	137.7	83%	0.826	77%	0.769	S	S	*	*			trans	95.1	108.2	159.6	-51.3	173.6	0	0	0	118.4
213	P	40.9	Very low	38.5	Very low	120 Å²	120	140.4 Å²	140.4	78%	0.779	78%	0.776	S	S	*	*			trans	-121.1	135.4	156.7	36.3	-24.4	0	0	0	113.4
214	R	38.9	Very low	38.5	Very low	234 Å²	234	140.4 Å²	140.4	88%	0.883	78%	0.778	S	S	*	*			trans	-168.6	127.5	157.1	-122.6	-177.7	166	122.2	-1.7	116.3
215	T	34	Very low	38.4	Very low	109 Å²	109	138.1 Å²	138.1	67%	0.669	78%	0.778	S	S	*	*			trans	31.4	138.3	139.4	59.1	0	0	0	0	122.3
216	R	38.5	Very low	38.2	Very low	226 Å²	226	137.7 Å²	137.7	85%	0.853	78%	0.779	S	S	*	*				-173.8	167.4	101.2	-98.1	-178.3	-173	-138.1	2.3	114.4
217	L	38.3	Very low	38.1	Very low	144 Å²	144	133.8 Å²	133.8	75%	0.754	78%	0.777	S	S	*	*			trans	-19.5	148.8	177.1	-69.7	67.9	0	0	0	118.7
218	A	32.9	Very low	37.8	Very low	94 Å²	94	135.8 Å²	135.8	78%	0.777	78%	0.782	S	S	*	*			cis	90.9	117	28.2	0	0	0	0	0	116.5
219	S	41.4	Very low	37.6	Very low	129 Å²	129	140.2 Å²	140.2	90%	0.902	79%	0.787	S	S	*	*			trans	-157.1	162.5	168	52.9	0	0	0	0	110.7
220	R	34.7	Very low	37.1	Very low	216 Å²	216	140.4 Å²	140.4	82%	0.815	79%	0.788	S	S	*	*			trans	-146.8	137.6	-157.2	168.5	-172.3	169.1	-159.1	-3.7	114.1
221	G	37.8	Very low	36.9	Very low	67 Å²	67	142.9 Å²	142.9	69%	0.691	80%	0.8	S	S	*	*			trans	-177.6	126.7	162.7	0	0	0	0	0	108.4
222	Q	42.3	Very low	36.7	Very low	146 Å²	146	144.5 Å²	144.5	68%	0.682	81%	0.807	S	S	*	*			cis	78.4	87.1	45.1	-60.8	-167.1	121.7	0	0	114.7
223	N	33.6	Very low	36.3	Very low	154 Å²	154	140.6 Å²	140.6	82%	0.824	81%	0.807	S	S	*	*				36.1	156.2	117.6	-60.4	10	0	0	0	120.7
224	P	42.7	Very low	35.9	Very low	116 Å²	116	146.7 Å²	146.7	75%	0.753	81%	0.814	S	S	*	*			cis	-144.2	-162.9	-38.8	41.2	-22.4	0	0	0	113.2
225	A	35	Very low	35.8	Very low	85 Å²	85	143.7 Å²	143.7	70%	0.702	82%	0.815	S	S	*	*			trans	88.6	150.3	147	0	0	0	0	0	122.4
226	E	35.4	Very low	36	Very low	203 Å²	203	149.4 Å²	149.4	95%	0.949	82%	0.824	S	S	*	*			trans	66.1	150.9	161.8	-71.7	171.9	-151.7	0	0	121.1
227	G	35	Very low	35.7	Very low	81 Å²	81	146.4 Å²	146.4	84%	0.835	83%	0.825	S	S	*	*			trans	121.4	65.7	170.6	0	0	0	0	0	117.3
228	S	30.8	Very low	35.6	Very low	104 Å²	104	142.8 Å²	142.8	73%	0.727	82%	0.822	S	S	*	*			trans	-91.9	126.7	165.8	178.5	0	0	0	0	111
229	F	34.8	Very low	35.9	Very low	207 Å²	207	146.6 Å²	146.6	91%	0.908	83%	0.828	S	S	*	*			trans	-156.9	139.4	155.5	-84.3	-61.6	0	0	0	111.8
230	S	29.8	Very low	35.7	Very low	118 Å²	118	144.2 Å²	144.2	83%	0.825	82%	0.824	S	S	*	*			trans	-98.8	138	176.6	-57.7	0	0	0	0	111.5
231	T	37.1	Very low	35.8	Very low	139 Å²	139	137.7 Å²	137.7	85%	0.853	82%	0.824	S	S	*	*			trans	-143	135.5	168.2	-35.5	0	0	0	0	112
232	L	34	Very low	35.8	Very low	181 Å²	181	139.2 Å²	139.2	95%	0.948	83%	0.83	S	S	*	*			trans	-76.4	148.7	176.1	-75.2	158.8	0	0	0	112.2
233	G	35.1	Very low	35.6	Very low	79 Å²	79	137.7 Å²	137.7	81%	0.814	84%	0.843	S	S	*	*			trans	-148.5	94.1	175.5	0	0	0	0	0	114
234	R	32.3	Very low	35.8	Very low	248 Å²	248	134 Å²	134	94%	0.936	84%	0.841	S	S	*	*			trans	-88.8	118.3	170.2	-84.2	-174.5	170	-161.1	0.4	111.3
235	L	37.1	Very low	35.5	Very low	171 Å²	171	136.4 Å²	136.4	90%	0.895	85%	0.846	S	S	*	*			trans	-155.9	161.2	159.3	-71	-179.4	0	0	0	110.3
236	R	37.1	Very low	35.7	Very low	230 Å²	230	138.8 Å²	138.8	87%	0.868	85%	0.854	S	S	*	*				-160.8	153.5	-50.4	-160.4	178.3	-175.6	-163.3	2	108.1
237	N	33.5	Very low	35.5	Very low	162 Å²	162	140.6 Å²	140.6	87%	0.866	85%	0.852	S	S	*	*			trans	-69.7	159.1	-173.2	-50.5	5	0	0	0	115.8
238	G	35.4	Very low	35.6	Very low	68 Å²	68	141.1 Å²	141.1	70%	0.701	85%	0.848	S	S	*	*			trans	175.7	158.1	150.2	0	0	0	0	0	114.5
239	I	39.1	Very low	35.8	Very low	174 Å²	174	143.5 Å²	143.5	89%	0.892	85%	0.853	S	S	*	*			cis	-169.9	150.8	-26.4	-118.7	154.5	0	0	0	110.7
240	G	36.6	Very low	35.7	Very low	79 Å²	79	138.2 Å²	138.2	81%	0.814	85%	0.847	S	S	*	*			trans	86.6	151.9	164.8	0	0	0	0	0	117.2
241	G	37.3	Very low	36	Very low	79 Å²	79	138.8 Å²	138.8	81%	0.814	85%	0.852	S	S	*	*			cis	156.1	163.8	-4.1	0	0	0	0	0	111.5
242	A	38.7	Very low	35.6	Very low	100 Å²	100	142.7 Å²	142.7	83%	0.826	85%	0.851	S	S	*	*			cis	-169.8	167.9	-14.6	0	0	0	0	0	111.5
243	A	38	Very low	35.8	Very low	114 Å²	114	140.8 Å²	140.8	94%	0.942	85%	0.847	S	S	*	*			trans	72.8	143.3	161.9	0	0	0	0	0	121.8
244	G	37.4	Very low	35.6	Very low	77 Å²	77	142.9 Å²	142.9	79%	0.794	84%	0.839	S	S	*	*			trans	142.2	97.1	162.3	0	0	0	0	0	117.4
245	I	35.8	Very low	35.7	Very low	166 Å²	166	141 Å²	141	85%	0.851	84%	0.838	S	S	*	*			trans	-142.4	131.2	174.5	-76.6	177.5	0	0	0	107.8
246	P	38.8	Very low	35.6	Very low	134 Å²	134	137.3 Å²	137.3	87%	0.87	83%	0.827	S	S	*	*				-150	-179.2	100.4	38	-17.6	0	0	0	117.1
247	R	31.4	Very low	35.4	Very low	242 Å²	242	130.5 Å²	130.5	91%	0.913	81%	0.814	S	S	*	*			trans	-116	142.9	-164.3	158.3	-168.8	177.4	-168.3	2.8	111.4
248	A	37.3	Very low	35.6	Very low	91 Å²	91	131 Å²	131	75%	0.752	81%	0.811	S	S	*	*			trans	-149.3	117	171.5	0	0	0	0	0	115.5
249	N	35.2	Very low	35.5	Very low	155 Å²	155	132.8 Å²	132.8	83%	0.829	81%	0.809	S	S	*	*			trans	41.6	97.2	139.3	-57.4	-3.5	0	0	0	122.4
250	A	32.2	Very low	35.4	Very low	95 Å²	95	130.9 Å²	130.9	79%	0.785	80%	0.8	S	S	*	*				22.8	142.6	119.6	0	0	0	0	0	122.5
251	S	36.1	Very low	35.5	Very low	131 Å²	131	134.8 Å²	134.8	92%	0.916	80%	0.797	S	S	*	*			trans	-150.3	142.7	139	-79.4	0	0	0	0	110.3
252	R	30.2	Very low	35.5	Very low	221 Å²	221	136.5 Å²	136.5	83%	0.834	80%	0.797	S	S	*	*			trans	-142.6	128.9	-171.3	-146	-169.8	-174	-161.2	2	108.6
253	T	37.1	Very low	35.4	Very low	141 Å²	141	135.8 Å²	135.8	87%	0.865	80%	0.799	S	S	*	*			trans	-144.6	115.6	168.3	47.2	0	0	0	0	110.3
254	N	31.4	Very low	35.3	Very low	122 Å²	122	133.7 Å²	133.7	65%	0.652	79%	0.789	S	S	*	*			trans	-94.9	147.3	169	-61.6	-11.2	0	0	0	109.2
255	F	35	Very low	35.2	Very low	208 Å²	208	135.1 Å²	135.1	91%	0.912	79%	0.787	S	S	*	*			trans	-169.3	149.5	143	-79.5	-62.7	0	0	0	106.8
256	S	35	Very low	35.1	Very low	94 Å²	94	134.5 Å²	134.5	66%	0.657	78%	0.78	S	S	*	*			cis	173.8	129.4	-31	-96.5	0	0	0	0	105.1
257	S	32.5	Very low	34.8	Very low	88 Å²	88	133.7 Å²	133.7	62%	0.615	77%	0.768	S	S	*	*			trans	21.7	137.7	153.2	57.3	0	0	0	0	122.1
258	H	38.1	Very low	34.8	Very low	171 Å²	171	132 Å²	132	79%	0.792	76%	0.761	S	S	*	*				173	100.1	124.4	-87.3	-53.8	0	0	0	109.4
259	T	33.2	Very low	34.6	Very low	106 Å²	106	136.1 Å²	136.1	65%	0.65	77%	0.765	S	S	*	*				78.3	138.4	80.9	54.9	0	0	0	0	116.1
260	N	36.7	Very low	34.6	Very low	134 Å²	134	139.2 Å²	139.2	72%	0.717	77%	0.765	S	S	*	*			trans	92.5	145.6	165.7	-58.4	-17.1	0	0	0	119
261	Q	39	Very low	34.4	Very low	161 Å²	161	143 Å²	143	75%	0.752	77%	0.767	S	S	*	*			cis	-173.1	164.1	-36.7	-122	-178.1	91.4	0	0	111.4
262	S	37.3	Very low	34.3	Very low	116 Å²	116	139.6 Å²	139.6	81%	0.811	75%	0.752	S	S	*	*			trans	70.2	140.5	150.1	67.5	0	0	0	0	122.7
263	G	35.8	Very low	34.5	Very low	85 Å²	85	137.2 Å²	137.2	88%	0.876	75%	0.751	S	S	*	*			trans	103.5	117.6	160.1	0	0	0	0	0	116.8
264	G	35.4	Very low	34.3	Very low	70 Å²	70	140.5 Å²	140.5	72%	0.722	75%	0.747	S	S	*	*			cis	146.5	123.3	-13.9	0	0	0	0	0	114.7
265	S	36.1	Very low	34	Very low	107 Å²	107	144.5 Å²	144.5	75%	0.748	76%	0.759	S	S	*	*			trans	66.6	154.5	157.2	-71.4	0	0	0	0	120.7
266	E	33.7	Very low	33.9	Very low	152 Å²	152	138.3 Å²	138.3	71%	0.71	75%	0.754	S	S	*	*			cis	-170.5	158.8	-24	-115.7	175.2	116.1	0	0	113.3
267	L	31.3	Very low	33.4	Very low	117 Å²	117	139 Å²	139	61%	0.613	77%	0.766	S	S	*	*			trans	62.8	146.6	144.7	-102.6	66.4	0	0	0	126.9
268	R	32.6	Very low	33.2	Very low	206 Å²	206	138.9 Å²	138.9	78%	0.777	77%	0.77	S	S	*	*			trans	75.3	124.1	151.6	-71.5	169.2	177.4	169	3.8	118.9
269	Q	33.1	Very low	32.7	Very low	178 Å²	178	139.4 Å²	139.4	83%	0.832	77%	0.772	S	S	*	*			cis	85	108.3	37.4	-68.6	-177.8	-21.3	0	0	115.9
270	R	34.1	Very low	32.5	Very low	221 Å²	221	140 Å²	140	83%	0.834	78%	0.775	S	S	*	*			trans	179.8	130.2	137.2	-96.5	177.6	-179.4	-69	0.8	106.3
271	E	28.6	Very low	32	Very low	174 Å²	174	144.1 Å²	144.1	81%	0.813	78%	0.781	S	S	*	*			cis	88.3	116.8	36.9	-166.7	-177.2	-151.6	0	0	114
272	G	35	Very low	31.7	Very low	60 Å²	60	145.4 Å²	145.4	62%	0.619	79%	0.787	S	S	*	*			trans	162.2	94.3	-177.3	0	0	0	0	0	109.7
273	Q	34.4	Very low	31.2	Very low	170 Å²	170	146.6 Å²	146.6	79%	0.794	79%	0.785	S	S	*	*				68.2	138.1	90.3	-66.1	-175	18.2	0	0	114.5
274	R	32	Very low	30.9	Very low	210 Å²	210	146.3 Å²	146.3	79%	0.792	78%	0.781	S	S	*	*			cis	-160.4	172.4	-6.6	-119.5	176.7	178.5	-168.8	-0.6	111.4
275	F	26.1	Very low	30.4	Very low	206 Å²	206	148 Å²	148	90%	0.904	79%	0.788	S	S	*	*			trans	-57.2	159.7	-173.3	-51.7	-91.9	0	0	0	118.7
276	G	31.2	Very low	30.1	Very low	78 Å²	78	153.8 Å²	153.8	80%	0.804	79%	0.794	S	S	*	*			trans	-171.4	125.2	154.5	0	0	0	0	0	110.9
277	A	24.7	Very low	29.8	Very low	109 Å²	109	152.4 Å²	152.4	90%	0.901	80%	0.801	S	S	*	*			trans	-150.9	141.5	-172.9	0	0	0	0	0	114.2
278	A	29.3	Very low	29.7	Very low	85 Å²	85	153.4 Å²	153.4	70%	0.702	81%	0.807	S	S	*	*			trans	-159.8	127.2	163.5	0	0	0	0	0	107.8
279	H	28	Very low	29.5	Very low	182 Å²	182	150.3 Å²	150.3	84%	0.843	81%	0.81	S	S	*	*				56.9	132	92.9	-61.1	-76	0	0	0	114.5
280	V	29	Very low	29.3	Very low	119 Å²	119	146.8 Å²	146.8	72%	0.721	80%	0.801	S	S	*	*			cis	-153.1	160.9	0.4	124.5	0	0	0	0	111.1
281	W	26.3	Very low	29.1	Very low	220 Å²	220	142.8 Å²	142.8	83%	0.833	80%	0.801	S	S	*	*			trans	-48.9	150.4	-178.7	-49.4	72.2	0	0	0	118.3
282	E	31	Very low	29.1	Very low	189 Å²	189	144.5 Å²	144.5	88%	0.883	80%	0.8	S	S	*	*				-153.4	175.8	113.6	-134.6	-177.5	165.7	0	0	111.9
283	N	27.7	Very low	28.9	Very low	141 Å²	141	147 Å²	147	75%	0.754	80%	0.799	S	S	*	*			trans	-103	147.8	-157.2	-60.1	-60	0	0	0	115.1
284	G	29.8	Very low	28.9	Very low	78 Å²	78	144.4 Å²	144.4	80%	0.804	80%	0.795	S	S	*	*			trans	-177.7	96	171.8	0	0	0	0	0	114
285	A	24.5	Very low	29	Very low	105 Å²	105	139.3 Å²	139.3	87%	0.868	78%	0.784	S	S	*	*			trans	-80.1	128	-172.6	0	0	0	0	0	113.9
286	R	29.1	Very low	29.5	Very low	229 Å²	229	138.2 Å²	138.2	86%	0.864	78%	0.781	S	S	*	*			trans	-144.9	111	160.8	-59	-170.1	81.9	159.9	6.6	110.4
287	S	27.4	Very low	29.4	Very low	124 Å²	124	144 Å²	144	87%	0.867	78%	0.779	S	S	*	*			trans	-77.4	127.1	173.4	43.4	0	0	0	0	110.9
288	N	30.9	Very low	29.8	Very low	138 Å²	138	146.4 Å²	146.4	74%	0.738	78%	0.776	S	S	*	*			trans	-114.8	106.9	-178	-74.8	-43.9	0	0	0	110.9	T290	N288-T290 PolarHBondContact O-N 2.85Å
289	V	27	Very low	30	Very low	140 Å²	140	148.6 Å²	148.6	85%	0.848	77%	0.772	S	S	*	*			trans	-71.9	122.6	173.9	178.1	0	0	0	0	109.8
290	T	30	Very low	30.2	Very low	104 Å²	104	145.3 Å²	145.3	64%	0.638	77%	0.766	S	S	*	*			trans	-109.7	100.7	-178.5	48.5	0	0	0	0	112.2	N288 R292	N288-T290 PolarHBondContact O-N 2.85Å; T290-R292 PolarHBondContact O-N 2.72Å
291	V	28.4	Very low	30.4	Very low	137 Å²	137	147 Å²	147	83%	0.83	77%	0.77	S	S	*	*			trans	-74	96.4	178.5	-177.5	0	0	0	0	110.5	N293	V291-N293 PolarHBondContact O-N 3.04Å
292	R	29.1	Very low	30.5	Very low	210 Å²	210	147.9 Å²	147.9	79%	0.792	77%	0.773	S	S	*	*			trans	-80.4	108.2	174.1	-78.2	-172.1	166.8	102.3	-3.8	111.5	T290 T294	T290-R292 PolarHBondContact O-N 2.72Å; R292-T294 PolarHBondContact O-N 2.76Å
293	N	32.1	Very low	30.5	Very low	112 Å²	112	146.2 Å²	146.2	60%	0.599	77%	0.77	S	S	*	*			trans	-84.7	103	177.1	-177	-11	0	0	0	111.4	V291 N295	V291-N293 PolarHBondContact O-N 3.04Å; N293-N295 PolarHBondContact OD1-ND2 3.02Å
294	T	33.6	Very low	30.6	Very low	117 Å²	117	150.8 Å²	150.8	72%	0.718	78%	0.776	S	S	*	*			trans	-112.4	52.7	-177.5	48.2	0	0	0	0	113.3	R292 Q296	R292-T294 PolarHBondContact O-N 2.76Å; T294-Q296 VanDerWaalsContact C-N 3.26Å; T294-Q296 PolarHBondContact O-N 2.88Å
295	N	33.3	Very low	30.6	Very low	103 Å²	103	152.8 Å²	152.8	55%	0.551	78%	0.778	S	S	*	*			trans	-75.7	68.7	174.8	-77.5	-57.5	0	0	0	113.1	N293 R297 R375	N293-N295 PolarHBondContact OD1-ND2 3.02Å; N295-R297 PolarHBondContact O-N 3.28Å; N295-R375 PolarHBondContact OD1-NH1 3.42Å; N295-R375 PolarHBondContact OD1-NH2 2.87Å
296	Q	37	Very low	31	Very low	182 Å²	182	154.2 Å²	154.2	85%	0.85	78%	0.776	S	S	*	*			trans	-80.7	104.5	168.6	-70.9	-164.1	8.8	0	0	111.7	T294	T294-Q296 VanDerWaalsContact C-N 3.26Å; T294-Q296 PolarHBondContact O-N 2.88Å
297	R	29.9	Very low	31.3	Very low	199 Å²	199	149 Å²	149	75%	0.751	78%	0.775	S	S	*	*			trans	37.3	99.6	143.8	-166	-178.9	-170.8	-178.1	3.2	118.2	N295 E299	N295-R297 PolarHBondContact O-N 3.28Å; R297-E299 IonicContact CZ-OE1 3.68Å; R297-E299 IonicContact NE-OE1 3.47Å; R297-E299 PolarHBondContact NE-OE1 2.91Å; R297-E299 IonicContact NH2-OE1 2.65Å; R297-E299 PolarHBondContact NH2-OE1 3.07Å
298	L	32	Very low	31.5	Very low	161 Å²	161	149.6 Å²	149.6	84%	0.843	77%	0.768	S	S	*	*			trans	-125.1	127.5	148.8	-73.4	174.3	0	0	0	109.1
299	E	33.7	Very low	31.7	Very low	130 Å²	130	148.6 Å²	148.6	61%	0.607	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-75.1	142.1	-174.8	-61.7	-79.8	163.7	0	0	111.6	R297 I301	R297-E299 IonicContact CZ-OE1 3.68Å; R297-E299 IonicContact NE-OE1 3.47Å; R297-E299 PolarHBondContact NE-OE1 2.91Å; R297-E299 IonicContact NH2-OE1 2.65Å; R297-E299 PolarHBondContact NH2-OE1 3.07Å; E299-I301 PolarHBondContact O-N 2.74Å
300	P	33.7	Very low	32	Very low	113 Å²	113	153.1 Å²	153.1	73%	0.734	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-76.8	116.7	178.3	29.7	-33.1	0	0	0	112.1	R302	P300-R302 PolarHBondContact O-N 3.08Å
301	I	31.3	Very low	32.3	Very low	154 Å²	154	153.9 Å²	153.9	79%	0.79	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-61.1	118.2	173.8	-62.5	173.7	0	0	0	109.9	E299 L303	E299-I301 PolarHBondContact O-N 2.74Å; I301-L303 PolarHBondContact O-N 3.1Å
302	R	28.3	Very low	32.7	Very low	239 Å²	239	159.1 Å²	159.1	90%	0.902	79%	0.788	S	S	*	*			trans	-73.5	104.1	176.1	-72.8	-175.5	171.9	102.3	-4.7	111.2	P300	P300-R302 PolarHBondContact O-N 3.08Å
303	L	31.2	Very low	32.7	Very low	155 Å²	155	154.4 Å²	154.4	81%	0.812	79%	0.787	S	S	*	*			trans	-96.6	133.5	160.7	-66.6	178	0	0	0	110	I301	I301-L303 PolarHBondContact O-N 3.1Å
304	R	31.3	Very low	32.9	Very low	237 Å²	237	154.5 Å²	154.5	89%	0.894	79%	0.794	S	S	*	*			trans	-80.5	129.7	-175.5	-72.3	179.4	172.1	178.1	-3.1	111.5	T306	R304-T306 PolarHBondContact O-N 3.01Å
305	S	29.8	Very low	33	Very low	120 Å²	120	155.5 Å²	155.5	84%	0.839	79%	0.793	S	S	*	*			trans	-72.3	114	167.9	-53.2	0	0	0	0	111
306	T	32.3	Very low	33.1	Very low	135 Å²	135	157.3 Å²	157.3	83%	0.828	80%	0.798	S	S	*	*			trans	-100.2	87.7	169.7	45.7	0	0	0	0	110.5	R304 N308	R304-T306 PolarHBondContact O-N 3.01Å; T306-N308 PolarHBondContact O-N 3.33Å
307	S	34.6	Very low	33.1	Very low	119 Å²	119	157.5 Å²	157.5	83%	0.832	79%	0.791	S	S	*	*			trans	-72	110.5	173.2	37.3	0	0	0	0	111
308	N	32.5	Very low	33.6	Very low	137 Å²	137	154.6 Å²	154.6	73%	0.733	79%	0.786	S	S	*	*			trans	-113.2	90	176.1	-175.7	16.5	0	0	0	111.1	T306	T306-N308 PolarHBondContact O-N 3.33Å
309	S	34.2	Very low	33.9	Very low	116 Å²	116	152.9 Å²	152.9	81%	0.811	79%	0.788	S	S	*	*			trans	-124	89.1	174.6	-67.8	0	0	0	0	110.3	S311	S309-S311 PolarHBondContact O-N 2.73Å
310	R	33.7	Very low	34.2	Very low	236 Å²	236	149.5 Å²	149.5	89%	0.891	79%	0.788	S	S	*	*			trans	-77	108.3	170.7	-78.5	180	162.9	-169.8	-5.1	110.8
311	S	36.3	Very low	34.6	Very low	119 Å²	119	150.9 Å²	150.9	83%	0.832	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-81.4	156.6	159.8	48.8	0	0	0	0	110.9	S309	S309-S311 PolarHBondContact O-N 2.73Å
312	R	36	Very low	34.9	Very low	247 Å²	247	148.8 Å²	148.8	93%	0.932	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-97.4	153.1	179.7	-73.8	-178.4	170.9	-130.2	2.5	111.8
313	S	29.7	Very low	35.3	Very low	111 Å²	111	147 Å²	147	78%	0.776	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-69.6	172.5	-176.4	-41.1	0	0	0	0	114.1
314	P	36.7	Very low	35.7	Very low	114 Å²	114	146.6 Å²	146.6	74%	0.74	78%	0.777	S	S	*	*				-146.7	141.2	93.8	36.2	-19.3	0	0	0	117.6
315	I	36.1	Very low	35.9	Very low	138 Å²	138	141.4 Å²	141.4	71%	0.708	77%	0.767	S	S	*	*				38.1	123.3	124.8	-57.1	168.6	0	0	0	117
316	Q	35.7	Very low	36.3	Very low	141 Å²	141	139.8 Å²	139.8	66%	0.659	76%	0.755	S	S	*	*				-176.2	132.3	73.6	-167.9	70.5	95.6	0	0	114.2
317	R	36.7	Very low	36.7	Very low	186 Å²	186	140.6 Å²	140.6	70%	0.702	75%	0.75	S	S	*	*			trans	60.2	156.1	152.5	-72.2	173.1	-163.3	-94.5	4.7	120.1
318	Q	40.5	Very low	36.9	Very low	139 Å²	139	143.4 Å²	143.4	65%	0.65	74%	0.742	S	S	*	*			cis	-161.5	140.8	-25.2	-120.8	170.5	-45.6	0	0	109.6
319	S	38.7	Very low	37.2	Very low	124 Å²	124	143 Å²	143	87%	0.867	74%	0.736	S	S	*	*			trans	58.5	140.3	159.1	-50.5	0	0	0	0	120.2
320	G	38.9	Very low	37.5	Very low	59 Å²	59	142.6 Å²	142.6	61%	0.608	73%	0.733	S	S	*	*			cis	160.5	150.4	-12.4	0	0	0	0	0	113.9
321	T	41.3	Very low	37.7	Very low	143 Å²	143	142.4 Å²	142.4	88%	0.877	73%	0.732	S	S	*	*			trans	66.5	149.7	154.8	58.5	0	0	0	0	119.5
322	V	39.3	Very low	37.8	Very low	109 Å²	109	142.6 Å²	142.6	66%	0.661	73%	0.731	S	S	*	*			cis	-167.9	133	-6.4	128	0	0	0	0	111.1
323	Y	36.2	Very low	37.9	Very low	201 Å²	201	136.6 Å²	136.6	79%	0.788	72%	0.721	S	S	*	*			trans	58.8	164.3	147.2	-70.1	-125	0	0	0	120
324	H	39	Very low	38.4	Very low	147 Å²	147	138.9 Å²	138.9	68%	0.681	72%	0.72	S	S	*	*			cis	-150.9	-173.3	-5.1	-151.1	-145.3	0	0	0	113
325	N	36.4	Very low	38.6	Very low	128 Å²	128	141.1 Å²	141.1	68%	0.684	72%	0.72	S	S	*	*			trans	-61.9	-179.2	-177.2	-44.2	-23.4	0	0	0	115.5
326	S	37.2	Very low	38.6	Very low	86 Å²	86	139.7 Å²	139.7	60%	0.601	72%	0.718	S	S	*	*			cis	-168.5	173.7	22.7	71.4	0	0	0	0	114.7
327	Q	41.2	Very low	38.8	Very low	152 Å²	152	138.4 Å²	138.4	71%	0.71	72%	0.72	S	S	*	*			trans	72.3	157	156.7	-71.6	177	86.3	0	0	118.4
328	R	38.1	Very low	38.7	Very low	178 Å²	178	140.1 Å²	140.1	67%	0.672	73%	0.726	S	S	*	*			cis	-153.6	147.4	0.6	-131.8	-177.4	-164.2	-124.8	2.7	114.1
329	E	40.3	Very low	38.5	Very low	129 Å²	129	143.6 Å²	143.6	60%	0.603	73%	0.734	S	S	*	*			trans	44.3	123.9	139.7	-76.4	164.5	-169.5	0	0	127.1
330	S	40.5	Very low	38.1	Very low	107 Å²	107	142.7 Å²	142.7	75%	0.748	73%	0.727	S	S	*	*				73.1	162.2	129.3	86.3	0	0	0	0	120.1
331	R	37.4	Very low	38	Very low	233 Å²	233	145.7 Å²	145.7	88%	0.879	73%	0.733	S	S	*	*			cis	-163	148	-4.7	-136	174.7	-173.4	-179.5	2.8	109.9
332	P	38.3	Very low	37.4	Very low	123 Å²	123	150 Å²	150	80%	0.799	73%	0.734	S	S	*	*			trans	-122.4	143.6	175.7	38.3	-27.7	0	0	0	116
333	V	38.8	Very low	37.1	Very low	120 Å²	120	157 Å²	157	73%	0.727	75%	0.748	S	S	*	*			trans	-148.8	111.9	178.6	178.3	0	0	0	0	114.9
334	Q	39.4	Very low	36.7	Very low	160 Å²	160	159.3 Å²	159.3	75%	0.748	76%	0.755	S	S	*	*			trans	45.7	167.7	135.1	-48.1	-179.9	-2	0	0	125.9
335	Q	40.4	Very low	36.1	Very low	160 Å²	160	155.9 Å²	155.9	75%	0.748	76%	0.76	S	S	*	*			trans	82.2	141.1	152.8	-74.8	-178.6	34.6	0	0	120.2
336	T	37.4	Very low	35.7	Very low	109 Å²	109	161.4 Å²	161.4	67%	0.669	77%	0.771	S	S	*	*			cis	-163	167.4	-29.7	0.3	0	0	0	0	113.2
337	T	38.8	Very low	35.1	Very low	113 Å²	113	163.6 Å²	163.6	69%	0.693	78%	0.781	S	S	*	*			trans	65.7	108.1	148.2	45.8	0	0	0	0	124.8
338	R	35.3	Very low	34.4	Very low	222 Å²	222	166.8 Å²	166.8	84%	0.838	79%	0.787	S	S	*	*				71	138.9	118.3	-75.9	-176	169	-175.2	-2.2	124.2
339	R	35.5	Very low	33.8	Very low	213 Å²	213	163.2 Å²	163.2	80%	0.804	78%	0.784	S	S	*	*			trans	89.7	82.7	144.1	-81.7	-179.3	174.2	-178.2	-2.8	122.3
340	S	30.8	Very low	33.3	Very low	104 Å²	104	166.2 Å²	166.2	73%	0.727	80%	0.796	S	S	*	*				71.5	146.5	110.2	66.1	0	0	0	0	124.3
341	V	36.1	Very low	32.5	Very low	122 Å²	122	168.4 Å²	168.4	74%	0.739	80%	0.798	S	S	*	*			trans	101.8	96.1	157.5	-170.4	0	0	0	0	118.6
342	R	29.1	Very low	32.1	Very low	235 Å²	235	164.4 Å²	164.4	89%	0.887	79%	0.789	S	S	*	*			trans	40.5	113.9	140.4	-58.5	177.9	175.8	-173.7	-1.9	120.3
343	R	33.1	Very low	31.8	Very low	254 Å²	254	165.8 Å²	165.8	96%	0.958	79%	0.785	S	S	*	*				-166.5	172.2	101.5	-103.2	177.3	-176	-141.1	1.3	112.6
344	R	28.4	Very low	31.3	Very low	251 Å²	251	166.6 Å²	166.6	95%	0.947	79%	0.786	S	S	*	*			trans	-65.3	154.3	-170.7	-58.7	170.1	172	173.4	-5.2	113.6
345	G	26.4	Very low	31	Very low	75 Å²	75	168.5 Å²	168.5	77%	0.773	79%	0.786	S	S	*	*			trans	159.7	59.2	154.6	0	0	0	0	0	122.7
346	R	26.9	Very low	30.6	Very low	243 Å²	243	166.2 Å²	166.2	92%	0.917	78%	0.775	S	S	*	*			trans	36.1	92.2	144.9	-167.2	-178.9	-172.3	171.2	2.5	119.6
347	T	24.5	Very low	30.3	Very low	133 Å²	133	169.8 Å²	169.8	82%	0.816	78%	0.776	S	S	*	*			trans	-66.3	142	149.6	-7.6	0	0	0	0	108.8
348	R	27.8	Very low	29.9	Very low	219 Å²	219	171.3 Å²	171.3	83%	0.826	78%	0.776	S	S	*	*			cis	84.8	101.9	24	-81.6	-154.5	153.6	-177.7	-5.8	117.9
349	V	25.6	Very low	29.8	Very low	103 Å²	103	172.3 Å²	172.3	62%	0.624	78%	0.779	S	S	*	*				47.6	126.3	129.1	-153.1	0	0	0	0	119
350	F	28.1	Very low	29.6	Very low	192 Å²	192	174.2 Å²	174.2	84%	0.842	79%	0.787	S	S	*	*				-168.5	159.3	98.8	-103.6	-75.5	0	0	0	114.1
351	L	24	Very low	29.6	Very low	153 Å²	153	172.6 Å²	172.6	80%	0.801	79%	0.786	S	S	*	*			trans	-128.2	-176.8	-179.4	-168.1	66.7	0	0	0	107.5
352	E	29.1	Very low	29.3	Very low	148 Å²	148	174.1 Å²	174.1	69%	0.692	80%	0.796	S	S	*	*			trans	79.6	150.2	175.1	-55.8	-171.5	84.4	0	0	115.1
353	Q	31.9	Very low	29.4	Very low	152 Å²	152	167.1 Å²	167.1	71%	0.71	79%	0.789	S	S	*	*			cis	-144.6	159.6	7.5	-142.2	162.4	56.1	0	0	112.5
354	D	29.2	Very low	29.2	Very low	138 Å²	138	165 Å²	165	74%	0.738	78%	0.782	S	S	*	*			trans	-68.8	162.4	179.5	-56.3	-90.2	0	0	0	114.6
355	R	32.2	Very low	29.3	Very low	199 Å²	199	157.5 Å²	157.5	75%	0.751	76%	0.764	S	S	*	*				-178.3	122.3	101.8	-96.6	-174.3	147.6	79.6	10.5	117.9
356	E	32.4	Very low	29.6	Very low	112 Å²	112	159.7 Å²	159.7	52%	0.523	77%	0.765	S	S	.	*				67.7	112.1	129	-72.1	-173.4	101.1	0	0	123.8
357	R	30.7	Very low	29.7	Very low	184 Å²	184	156.3 Å²	156.3	69%	0.694	76%	0.757	S	S	*	*				98.8	105.4	123.8	-71.7	-175.1	-163.7	-80	-5.9	123.2
358	E	30.6	Very low	30.1	Very low	145 Å²	145	155.8 Å²	155.8	68%	0.678	76%	0.759	S	S	*	*				49.3	113.5	115.4	-59.7	179.9	96.9	0	0	120.3
359	R	34.3	Very low	30.3	Very low	243 Å²	243	151.7 Å²	151.7	92%	0.917	75%	0.754	S	S	*	*				-168	112.4	106.2	-102.2	161.2	-164.5	-90	-3.8	114.7
360	R	29.8	Very low	30.8	Very low	254 Å²	254	151.1 Å²	151.1	96%	0.958	75%	0.754	S	S	*	*			trans	23.4	100.1	142.9	-171.8	179.4	-71.5	-129.8	-0.4	117.4
361	G	31.6	Very low	31.2	Very low	70 Å²	70	150.6 Å²	150.6	72%	0.722	75%	0.746	S	S	*	*			trans	-140.5	134.4	163	0	0	0	0	0	110.9	A363	G361-A363 PolarHBondContact O-N 3.44Å
362	T	29.4	Very low	31.9	Very low	153 Å²	153	147.8 Å²	147.8	94%	0.939	73%	0.732	S	S	*	*			trans	-73.2	108.9	-169.3	-43.9	0	0	0	0	112.2
363	A	31.7	Very low	32.2	Very low	89 Å²	89	144.8 Å²	144.8	74%	0.736	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-93.2	126.7	179.2	0	0	0	0	0	112	G361	G361-A363 PolarHBondContact O-N 3.44Å
364	Y	29.8	Very low	32.4	Very low	208 Å²	208	139.8 Å²	139.8	82%	0.816	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-68.2	130	173	-120.4	-103.1	0	0	0	110.5
365	T	29.2	Very low	32.8	Very low	94 Å²	94	140.8 Å²	140.8	58%	0.577	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-75.7	131.1	168.5	40.6	0	0	0	0	110.7	F367	T365-F367 WeakPolarHBondContact O-CD2 3.09Å; T365-F367 PolarHBondContact O-N 2.91Å; T365-F367 WeakPolarHBondContact OG1-CE2 3.34Å
366	P	32.6	Very low	33.2	Very low	122 Å²	122	132.8 Å²	132.8	79%	0.792	67%	0.671	S	S	*	*			trans	-80.5	104.2	172.3	31	-31.2	0	0	0	109.7	S368	P366-S368 PolarHBondContact O-N 3.35Å
367	F	29.6	Very low	33.4	Very low	172 Å²	172	132.2 Å²	132.2	75%	0.754	68%	0.675	S	S	*	*			trans	-68.7	125	177.1	-72.4	-90.8	0	0	0	111.6	T365 N369	T365-F367 WeakPolarHBondContact O-CD2 3.09Å; T365-F367 PolarHBondContact O-N 2.91Å; T365-F367 WeakPolarHBondContact OG1-CE2 3.34Å; F367-N369 PolarHBondContact O-N 3.31Å
368	S	32.2	Very low	33.8	Very low	121 Å²	121	127.6 Å²	127.6	85%	0.846	67%	0.667	S	S	*	*			trans	-69.4	107.2	-176	-66.2	0	0	0	0	112.3	P366 S370	P366-S368 PolarHBondContact O-N 3.35Å; S368-S370 PolarHBondContact O-N 2.91Å
369	N	31.7	Very low	34.1	Very low	134 Å²	134	128 Å²	128	72%	0.717	67%	0.669	S	S	*	*			trans	-72.4	105.6	165.1	-77.8	-105.4	0	0	0	108.6	F367 R371	F367-N369 PolarHBondContact O-N 3.31Å; N369-R371 PolarHBondContact O-N 3.08Å
370	S	37.8	Very low	34	Very low	91 Å²	91	124.5 Å²	124.5	64%	0.636	66%	0.663	S	S	*	*			trans	-69.4	98.2	176.1	-167.9	0	0	0	0	110.5	S368 L372	S368-S370 PolarHBondContact O-N 2.91Å; S370-L372 PolarHBondContact O-N 2.92Å
371	R	35.3	Very low	34.2	Very low	180 Å²	180	116.1 Å²	116.1	68%	0.679	66%	0.656	S	S	*	*			trans	-92	88	174.4	-72.1	-175.5	176.4	170.1	-0.1	109.9	N369 V373	N369-R371 PolarHBondContact O-N 3.08Å; R371-V373 VanDerWaalsContact C-N 3.3Å; R371-V373 HydrophobicContact CB-CG2 4.34Å; R371-V373 PolarHBondContact O-N 2.78Å
372	L	38.7	Very low	34.5	Very low	95 Å²	95	122.3 Å²	122.3	50%	0.497	67%	0.666	S	S	.	*			trans	-72.9	84.3	168	-70.3	174.9	0	0	0	110.2	S370 S374 L401 F592	S370-L372 PolarHBondContact O-N 2.92Å; L372-S374 VanDerWaalsContact C-N 3.3Å; L372-S374 PolarHBondContact O-N 3.45Å; L372-L401 VanDerWaalsContact O-O 3.06Å; L372-F592 HydrophobicContact CD1-CZ 4.4Å
373	V	36.8	Very low	34.5	Very low	84 Å²	84	124.3 Å²	124.3	51%	0.509	67%	0.665	S	S	.	*			trans	-76.5	81.7	175.9	-176.9	0	0	0	0	109.5	R371 R375	R371-V373 VanDerWaalsContact C-N 3.3Å; R371-V373 HydrophobicContact CB-CG2 4.34Å; R371-V373 PolarHBondContact O-N 2.78Å; V373-R375 PolarHBondContact O-N 3.14Å
374	S	35.8	Very low	34.7	Very low	48 Å²	48	125.4 Å²	125.4	34%	0.336	67%	0.666	S	S	.	*			trans	-81.6	110.4	178.7	-64.8	0	0	0	0	111.3	L372 I376	L372-S374 VanDerWaalsContact C-N 3.3Å; L372-S374 PolarHBondContact O-N 3.45Å; S374-I376 PolarHBondContact O-N 3.18Å
375	R	37.9	Very low	35.1	Very low	158 Å²	158	120.3 Å²	120.3	60%	0.596	66%	0.662	S	S	*	*			trans	-74.6	115.6	164.8	-72.4	-176.1	-179.5	134.9	2.2	109	N295 V373	N295-R375 PolarHBondContact OD1-NH1 3.42Å; N295-R375 PolarHBondContact OD1-NH2 2.87Å; V373-R375 PolarHBondContact O-N 3.14Å
376	I	39.3	Very low	35.2	Very low	32 Å²	32	128.2 Å²	128.2	16%	0.164	68%	0.681	C	S	.	*			trans	-97.3	124.7	173.6	-56.4	172.8	0	0	0	107.7	S374 V378 P584 I585 L588	S374-I376 PolarHBondContact O-N 3.18Å; I376-V378 HydrophobicContact CG2-CG2 4.36Å; I376-P584 HydrophobicContact CD1-CB 4.4Å; I376-P584 HydrophobicContact CG2-CB 4.16Å; I376-P584 HydrophobicContact CG2-CG 4.28Å; I376-I585 HydrophobicContact CD1-CG1 4.48Å; I376-L588 HydrophobicContact CD1-CD1 3.76Å
377	T	36.1	Very low	35.5	Very low	100 Å²	100	127.5 Å²	127.5	61%	0.613	68%	0.678	S	S	*	*			trans	-105.1	132.9	169.9	49	0	0	0	0	108.7	T396	T377-T396 HydrophobicContact CG2-CG2 4.1Å
378	V	39	Very low	35.5	Very low	87 Å²	87	125.4 Å²	125.4	53%	0.527	69%	0.685	S	S	.	*			trans	-116.4	123.3	173.5	-178	0	0	0	0	106.9	I376	I376-V378 HydrophobicContact CG2-CG2 4.36Å
379	E	37.4	Very low	35.6	Very low	153 Å²	153	125.8 Å²	125.8	72%	0.715	68%	0.683	S	S	*	*			trans	-131.3	122.8	171.9	-60.1	-165.4	-179.3	0	0	106.9
380	E	33.4	Very low	35.7	Very low	170 Å²	170	123.5 Å²	123.5	79%	0.794	68%	0.682	S	S	*	*			trans	-94.9	132.4	178.2	-68.9	169.1	167.3	0	0	107.9
381	G	33.4	Very low	35.6	Very low	78 Å²	78	125.9 Å²	125.9	80%	0.804	69%	0.693	S	S	*	*			trans	-101	111.1	-171.8	0	0	0	0	0	112.6
382	E	36.6	Very low	35.6	Very low	199 Å²	199	125.8 Å²	125.8	93%	0.93	69%	0.693	S	S	*	*			trans	-85.5	117.4	171	-66.1	-175.9	132.2	0	0	111	S384	E382-S384 PolarHBondContact O-N 3.43Å
383	E	30.7	Very low	35.5	Very low	196 Å²	196	132.5 Å²	132.5	92%	0.916	71%	0.711	S	S	*	*			trans	-91.9	90.6	174.4	-66.8	-167.4	150.2	0	0	111.8
384	S	36.2	Very low	35.5	Very low	111 Å²	111	134.6 Å²	134.6	78%	0.776	72%	0.715	S	S	*	*			trans	-162.7	163.7	154.7	-140.5	0	0	0	0	117.5	E382	E382-S384 PolarHBondContact O-N 3.43Å
385	S	38.3	Very low	35.6	Very low	102 Å²	102	135.7 Å²	135.7	71%	0.713	72%	0.721	S	S	*	*			trans	39.3	103.5	153.4	58.7	0	0	0	0	120.1	S387	S385-S387 PolarHBondContact O-N 2.83Å; S385-S387 VanDerWaalsContact O-N 3.17Å
386	R	30.7	Very low	35.9	Very low	260 Å²	260	132.9 Å²	132.9	98%	0.981	72%	0.722	S	S	*	*			trans	-46.2	113.1	166.3	-64	166.7	171.5	158.9	-4.4	113.6
387	S	37.9	Very low	36.3	Very low	106 Å²	106	133.8 Å²	133.8	74%	0.741	73%	0.726	S	S	*	*			trans	-150	141.2	149.8	66.4	0	0	0	0	111.1	S385 T389	S385-S387 PolarHBondContact O-N 2.83Å; S385-S387 VanDerWaalsContact O-N 3.17Å; S387-T389 PolarHBondContact O-N 3.22Å
388	S	31.4	Very low	37.1	Very low	129 Å²	129	131 Å²	131	90%	0.902	71%	0.71	S	S	*	*			trans	-94.4	93.8	-168.4	-170.9	0	0	0	0	111.9
389	T	33.4	Very low	38	Very low	129 Å²	129	128 Å²	128	79%	0.791	69%	0.69	S	S	*	*			trans	-138.2	157.4	167.9	56.4	0	0	0	0	112.2	S387	S387-T389 PolarHBondContact O-N 3.22Å
390	A	34.2	Very low	39.1	Very low	85 Å²	85	122.9 Å²	122.9	70%	0.702	67%	0.668	S	S	*	*			trans	-30.8	127.8	-168.3	0	0	0	0	0	117.8	R392	A390-R392 PolarHBondContact O-N 3.4Å
391	V	34.2	Very low	40.4	Very low	142 Å²	142	115.1 Å²	115.1	86%	0.861	63%	0.632	S	S	*	*			trans	-61.8	94.7	172.2	-178.4	0	0	0	0	110.6
392	R	36.1	Very low	41.9	Very low	178 Å²	178	114 Å²	114	67%	0.672	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-71.7	126.9	171.3	-65	-173.5	178.2	-151.1	0.2	108.9	A390	A390-R392 PolarHBondContact O-N 3.4Å
393	R	37.7	Very low	43.1	Very low	235 Å²	235	105.6 Å²	105.6	89%	0.887	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-85.3	124.8	171.2	-72.1	-178.5	175.7	166.5	0.3	109
394	H	35.6	Very low	44.5	Very low	128 Å²	128	100 Å²	100	59%	0.593	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-69.3	144.4	176.5	-61.6	-100.7	0	0	0	110.7	T396	H394-T396 PolarHBondContact O-N 3.1Å
395	P	37.7	Very low	45.9	Very low	72 Å²	72	98 Å²	98	47%	0.468	51%	0.513	S	S	.	.			trans	-75.2	111.9	-174.6	25.6	-30.3	0	0	0	112.3	I397	P395-I397 PolarHBondContact O-N 2.67Å
396	T	45	Very low	47.1	Very low	99 Å²	99	93.3 Å²	93.3	61%	0.607	48%	0.481	S	S	*	.			trans	-78.5	105.9	-177.2	-42.6	0	0	0	0	112.8	T377 H394	T377-T396 HydrophobicContact CG2-CG2 4.1Å; H394-T396 PolarHBondContact O-N 3.1Å
397	I	47.4	Very low	48.6	Very low	50 Å²	50	86.9 Å²	86.9	26%	0.256	46%	0.456	S	S	.	.			trans	-82.9	123	174.4	-61.9	126.3	0	0	0	110.5	P395 L399 V462 L480	P395-I397 PolarHBondContact O-N 2.67Å; I397-L399 HydrophobicContact CG2-CD2 4.24Å; I397-V462 HydrophobicContact CG2-CG1 4.41Å; I397-L480 HydrophobicContact CD1-CD1 4.13Å; I397-L480 HydrophobicContact CD1-CD2 3.71Å; I397-L480 HydrophobicContact CD1-CG 3.72Å; I397-L480 HydrophobicContact CG1-CD1 4.49Å; I397-L480 HydrophobicContact CG1-CD2 3.98Å; I397-L480 HydrophobicContact CG1-CG 4.38Å; I397-L480 HydrophobicContact CG2-CD2 4.26Å
398	T	52.8	Low	49.6	Very low	43 Å²	43	84.3 Å²	84.3	26%	0.264	44%	0.437	S	S	.	.			trans	-91.8	109.4	177.4	57.2	0	0	0	0	111.8
399	L	58.7	Low	50.9	Low	23 Å²	23	81.1 Å²	81.1	12%	0.12	43%	0.425	C	S	.	.			trans	-82.7	132.3	167.7	-50.2	178.8	0	0	0	109.9	I397 I460 V462	I397-L399 HydrophobicContact CG2-CD2 4.24Å; L399-I460 HydrophobicContact CB-CG2 4.32Å; L399-I460 HydrophobicContact CD2-CG2 4.49Å; L399-V462 HydrophobicContact CD2-CG1 4.36Å; L399-V462 HydrophobicContact CD2-CG2 3.63Å
400	D	59.5	Low	52.2	Low	46 Å²	46	80.3 Å²	80.3	25%	0.246	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	91.6	165.4	174.8	52.9	0	0	0	109	Q402 I460 T461	D400-Q402 PolarHBondContact OD2-NE2 2.84Å; D400-I460 CarbonylContact O-C 3.4Å; D400-I460 WeakPolarHBondContact O-CA 3.27Å; D400-T461 PolarHBondContact N-O 3.42Å; D400-T461 PolarHBondContact O-N 3.05Å
401	L	61.7	Low	53.2	Low	6 Å²	6	78.6 Å²	78.6	3%	0.031	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	133.4	171.2	177.5	68.7	0	0	0	109.8	L372 V403 T459 I460 L588	L372-L401 VanDerWaalsContact O-O 3.06Å; L401-V403 HydrophobicContact CD1-CG2 3.79Å; L401-V403 HydrophobicContact CD2-CG2 3.93Å; L401-V403 HydrophobicContact CG-CG2 3.78Å; L401-T459 CarbonylContact C-O 3.43Å; L401-T459 WeakPolarHBondContact CA-O 3.33Å; L401-I460 HydrophobicContact CD1-CD1 4.29Å; L401-I460 HydrophobicContact CD1-CG1 3.56Å; L401-L588 HydrophobicContact CD2-CD1 3.66Å
402	Q	64	Low	54.3	Low	55 Å²	55	80 Å²	80	26%	0.257	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.1	171.3	-50.1	179.5	22.1	0	0	107.4	D400 S458 T459	D400-Q402 PolarHBondContact OD2-NE2 2.84Å; Q402-S458 CarbonylContact O-C 3.49Å; Q402-S458 VanDerWaalsContact O-CA 3.27Å; Q402-S458 WeakPolarHBondContact O-CA 3.47Å; Q402-T459 PolarHBondContact N-O 2.78Å; Q402-T459 PolarHBondContact O-N 3.08Å
403	V	62.2	Low	55.1	Low	22 Å²	22	77.6 Å²	77.6	13%	0.133	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.8	176.6	-166.9	0	0	0	0	110.2	L401 V457 F592	L401-V403 HydrophobicContact CD1-CG2 3.79Å; L401-V403 HydrophobicContact CD2-CG2 3.93Å; L401-V403 HydrophobicContact CG-CG2 3.78Å; V403-V457 WeakPolarHBondContact CA-O 3.23Å; V403-F592 HydrophobicContact CB-CD2 4.3Å; V403-F592 HydrophobicContact CB-CE2 3.82Å; V403-F592 HydrophobicContact CB-CZ 4.22Å; V403-F592 HydrophobicContact CG1-CD2 3.67Å; V403-F592 HydrophobicContact CG1-CE2 3.7Å; V403-F592 HydrophobicContact CG1-CG 4.23Å; V403-F592 HydrophobicContact CG1-CZ 4.27Å; V403-F592 HydrophobicContact CG2-CD2 4.47Å; V403-F592 HydrophobicContact CG2-CE2 3.94Å
404	R	59.5	Low	55.9	Low	78 Å²	78	76.3 Å²	76.3	29%	0.294	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	142.2	175.3	60.6	-171.5	172.3	105.6	12.6	111.8	I406 D415 Y456 V457	R404-I406 HydrophobicContact CG-CG1 4.45Å; R404-D415 PolarHBondContact NH2-O 3.32Å; R404-Y456 WeakPolarHBondContact O-CA 3.37Å; R404-V457 HydrophobicContact CG-CB 4.19Å; R404-V457 PolarHBondContact N-O 3.03Å; R404-V457 PolarHBondContact O-N 3.43Å
405	R	65	Low	56.8	Low	69 Å²	69	72.8 Å²	72.8	26%	0.26	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	131.8	159	178.3	178.5	166.6	-150.8	-3.8	107.1	R454 Y456 D600	R405-R454 VanDerWaalsContact NH2-CZ 3.3Å; R405-Y456 HydrophobicContact CB-CD1 3.9Å; R405-Y456 HydrophobicContact CB-CE1 3.7Å; R405-Y456 HydrophobicContact CG-CD1 4.2Å; R405-Y456 HydrophobicContact CG-CE1 3.67Å; R405-D600 IonicContact CZ-OD1 2.74Å; R405-D600 IonicContact CZ-OD2 3.86Å; R405-D600 IonicContact NH1-OD1 2.74Å; R405-D600 PolarHBondContact NH1-OD1 2.86Å; R405-D600 IonicContact NH1-OD2 3.78Å; R405-D600 IonicContact NH2-OD1 3.81Å; R405-D600 PolarHBondContact NH2-OD1 3.25Å; R405-D600 IonicContact NH2-OD2 3.88Å; R405-D600 PolarHBondContact NH2-OD2 2.94Å
406	I	64.4	Low	57.7	Low	5 Å²	5	70.2 Å²	70.2	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127.9	171.6	-38.2	168.6	0	0	0	106.6	R404 E410 N411 T455 V457	R404-I406 HydrophobicContact CG-CG1 4.45Å; I406-E410 HydrophobicContact CG2-CB 3.79Å; I406-E410 HydrophobicContact CG2-CG 3.9Å; I406-N411 WeakPolarHBondContact CG2-OD1 3.37Å; I406-T455 WeakPolarHBondContact CB-O 3.5Å; I406-T455 HydrophobicContact CD1-CG2 3.89Å; I406-T455 WeakPolarHBondContact CG1-O 3.33Å; I406-T455 PolarHBondContact N-O 2.85Å; I406-T455 PolarHBondContact O-N 3.49Å; I406-V457 HydrophobicContact CD1-CG2 3.91Å
407	R	62.9	Low	58.3	Low	124 Å²	124	66 Å²	66	47%	0.468	32%	0.32	S	S	.	.			trans	-82.1	157.8	178	-75.4	-173.4	170.8	93.4	-5.3	111.7	G409 E410 D600	R407-G409 PolarHBondContact O-N 2.9Å; R407-E410 HydrophobicContact CB-CB 4.26Å; R407-E410 PolarHBondContact N-OE2 2.96Å; R407-E410 VanDerWaalsContact O-CB 3.28Å; R407-E410 WeakPolarHBondContact O-CB 3.48Å; R407-E410 PolarHBondContact O-N 2.87Å; R407-D600 IonicContact NH2-OD1 3.61Å
408	P	57.6	Low	58.2	Low	52 Å²	52	65 Å²	65	34%	0.338	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	132.9	173.7	27.8	-31.2	0	0	0	108.9	E410 I453	P408-E410 VanDerWaalsContact C-N 3.33Å; P408-E410 PolarHBondContact O-N 2.77Å; P408-I453 WeakPolarHBondContact CD-O 3.29Å
409	G	59.3	Low	58.1	Low	63 Å²	63	65.8 Å²	65.8	65%	0.649	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-9.5	-170.9	0	0	0	0	0	116.1	R407	R407-G409 PolarHBondContact O-N 2.9Å
410	E	60.4	Low	57.8	Low	111 Å²	111	71.5 Å²	71.5	52%	0.519	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-16.6	172.2	-172.9	179.7	-166.9	0	0	112.2	I406 R407 P408 R412	I406-E410 HydrophobicContact CG2-CB 3.79Å; I406-E410 HydrophobicContact CG2-CG 3.9Å; R407-E410 HydrophobicContact CB-CB 4.26Å; R407-E410 PolarHBondContact N-OE2 2.96Å; R407-E410 VanDerWaalsContact O-CB 3.28Å; R407-E410 WeakPolarHBondContact O-CB 3.48Å; R407-E410 PolarHBondContact O-N 2.87Å; P408-E410 VanDerWaalsContact C-N 3.33Å; P408-E410 PolarHBondContact O-N 2.77Å; E410-R412 PolarHBondContact O-N 3.21Å
411	N	56.1	Low	57.3	Low	50 Å²	50	71.3 Å²	71.3	27%	0.267	34%	0.342	S	S	.	.			trans	-59.9	96.8	179.1	-86.3	-27.2	0	0	0	112.8	I406	I406-N411 WeakPolarHBondContact CG2-OD1 3.37Å
412	R	56.9	Low	56.4	Low	171 Å²	171	81.4 Å²	81.4	65%	0.645	38%	0.379	S	S	*	.			trans	-78.4	136.5	160.1	-76.5	-179.1	159.2	168	-3.3	109.8	E410 R414 D415	E410-R412 PolarHBondContact O-N 3.21Å; R412-R414 PolarHBondContact O-N 2.86Å; R412-D415 PolarHBondContact O-N 2.84Å
413	D	52	Low	55.2	Low	128 Å²	128	83.7 Å²	83.7	68%	0.684	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.3	-31	176	-90	-53.1	0	0	0	114.3	D415 N419	D413-D415 VanDerWaalsContact C-N 3.27Å; D413-D415 PolarHBondContact O-N 2.77Å; D413-N419 WeakPolarHBondContact O-CB 3.46Å; D413-N419 PolarHBondContact O-ND2 2.88Å; D413-N419 PolarHBondContact OD1-ND2 2.82Å
414	R	55.5	Low	54.2	Low	207 Å²	207	94 Å²	94	78%	0.781	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-19.3	-179.7	-67.5	-156.8	167.4	-144.8	-6.3	113.9	R412 R420	R412-R414 PolarHBondContact O-N 2.86Å; R414-R420 PolarHBondContact O-NH1 3.13Å
415	D	53.8	Low	53.2	Low	55 Å²	55	96.6 Å²	96.6	29%	0.294	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-9.7	-164.9	-64	-52.9	0	0	0	115.3	R404 R412 D413 R420	R404-D415 PolarHBondContact NH2-O 3.32Å; R412-D415 PolarHBondContact O-N 2.84Å; D413-D415 VanDerWaalsContact C-N 3.27Å; D413-D415 PolarHBondContact O-N 2.77Å; D415-R420 IonicContact OD1-CZ 2.66Å; D415-R420 IonicContact OD1-NH1 3.11Å; D415-R420 PolarHBondContact OD1-NH1 3.38Å; D415-R420 IonicContact OD1-NH2 2.72Å
416	S	56	Low	51.9	Low	17 Å²	17	96.5 Å²	96.5	12%	0.119	48%	0.482	C	S	.	.	S	Bend	trans	-71.8	144.4	159.3	174.6	0	0	0	0	110.8	E152 A418 R420	E152-S416 VanDerWaalsContact OE1-CA 3.28Å; E152-S416 WeakPolarHBondContact OE1-CA 3.45Å; E152-S416 VanDerWaalsContact OE1-CB 3.26Å; E152-S416 WeakPolarHBondContact OE1-CB 3.5Å; E152-S416 PolarHBondContact OE1-OG 2.83Å; E152-S416 PolarHBondContact OE2-OG 3.32Å; S416-A418 PolarHBondContact O-N 3.26Å; S416-A418 WeakPolarHBondContact OG-CB 3.25Å; S416-A418 PolarHBondContact OG-N 3.03Å; S416-R420 PolarHBondContact O-N 3.43Å
417	I	58.3	Low	50.4	Low	12 Å²	12	104.1 Å²	104.1	6%	0.062	52%	0.522	C	S	.	.	H	α-helix	trans	-66.9	-31.6	177.4	-47.6	178.9	0	0	0	109.7	R135 V137 E152 N419 R420 T421 V457	R135-I417 VanDerWaalsContact NH1-C 3.34Å; R135-I417 PolarHBondContact NH1-O 3.46Å; V137-I417 HydrophobicContact CB-CG2 4.26Å; V137-I417 HydrophobicContact CG2-CG2 3.83Å; E152-I417 HydrophobicContact CB-CD1 3.56Å; E152-I417 HydrophobicContact CB-CG1 3.97Å; E152-I417 PolarHBondContact OE1-N 2.92Å; E152-I417 WeakPolarHBondContact OE2-CA 3.17Å; E152-I417 WeakPolarHBondContact OE2-CB 3.38Å; E152-I417 WeakPolarHBondContact OE2-CG1 3.33Å; E152-I417 PolarHBondContact OE2-N 3.4Å; I417-N419 VanDerWaalsContact C-N 3.35Å; I417-N419 PolarHBondContact O-N 2.8Å; I417-R420 CarbonylContact O-C 3.58Å; I417-R420 PolarHBondContact O-N 3.49Å; I417-T421 PolarHBondContact O-N 2.81Å; I417-T421 PolarHBondContact O-OG1 3.05Å; I417-V457 HydrophobicContact CD1-CG1 4.21Å; I417-V457 HydrophobicContact CG1-CG1 4.32Å
418	A	45.1	Very low	49	Very low	29 Å²	29	102.1 Å²	102.1	24%	0.24	53%	0.533	C	S	.	.	H	α-helix	trans	-48.9	-52.1	177.7	0	0	0	0	0	112.7	S416 T421 R422	S416-A418 PolarHBondContact O-N 3.26Å; S416-A418 WeakPolarHBondContact OG-CB 3.25Å; S416-A418 PolarHBondContact OG-N 3.03Å; A418-T421 PolarHBondContact O-N 2.85Å; A418-T421 PolarHBondContact O-OG1 3.12Å; A418-R422 PolarHBondContact O-N 3.03Å
419	N	50.5	Low	47.9	Very low	58 Å²	58	108 Å²	108	31%	0.31	56%	0.556	S	S	.	*	H	α-helix	trans	-73.9	-36	-179.9	-74.4	-20	0	0	0	112.7	D413 I417 T421 R422 S423	D413-N419 WeakPolarHBondContact O-CB 3.46Å; D413-N419 PolarHBondContact O-ND2 2.88Å; D413-N419 PolarHBondContact OD1-ND2 2.82Å; I417-N419 VanDerWaalsContact C-N 3.35Å; I417-N419 PolarHBondContact O-N 2.8Å; N419-T421 PolarHBondContact O-N 2.89Å; N419-R422 PolarHBondContact O-N 3.36Å; N419-S423 WeakPolarHBondContact O-CB 3.27Å; N419-S423 PolarHBondContact O-N 3.41Å; N419-S423 VanDerWaalsContact O-N 3.13Å
420	R	53.1	Low	46.5	Very low	144 Å²	144	112.1 Å²	112.1	54%	0.543	56%	0.563	S	S	.	*	H	α-helix	trans	-64.1	-16.2	169.9	-92.3	177.4	161.4	113.5	-15	113.3	R139 R414 D415 S416 I417	R139-R420 PolarHBondContact NH2-O 3.18Å; R414-R420 PolarHBondContact O-NH1 3.13Å; D415-R420 IonicContact OD1-CZ 2.66Å; D415-R420 IonicContact OD1-NH1 3.11Å; D415-R420 PolarHBondContact OD1-NH1 3.38Å; D415-R420 IonicContact OD1-NH2 2.72Å; S416-R420 PolarHBondContact O-N 3.43Å; I417-R420 CarbonylContact O-C 3.58Å; I417-R420 PolarHBondContact O-N 3.49Å
421	T	49.2	Very low	45.1	Very low	41 Å²	41	113.9 Å²	113.9	25%	0.252	58%	0.581	S	S	.	*	H	α-helix	trans	-84.9	-36.7	167.7	28	0	0	0	0	114.5	R135 V137 R139 I417 A418 N419	R135-T421 PolarHBondContact NH1-OG1 2.77Å; R135-T421 VanDerWaalsContact NH1-OG1 3.15Å; R135-T421 PolarHBondContact NH2-OG1 3.13Å; V137-T421 HydrophobicContact CG1-CG2 4.27Å; R139-T421 VanDerWaalsContact NH2-CG2 3.27Å; I417-T421 PolarHBondContact O-N 2.81Å; I417-T421 PolarHBondContact O-OG1 3.05Å; A418-T421 PolarHBondContact O-N 2.85Å; A418-T421 PolarHBondContact O-OG1 3.12Å; N419-T421 PolarHBondContact O-N 2.89Å
422	R	43.3	Very low	43.9	Very low	218 Å²	218	117.3 Å²	117.3	82%	0.823	60%	0.604	S	S	*	*	H	α-helix	trans	-81.8	-29.3	-177.8	-83.2	-174	167.9	-132.7	-2.8	115.1	A418 N419 R424	A418-R422 PolarHBondContact O-N 3.03Å; N419-R422 PolarHBondContact O-N 3.36Å; R422-R424 VanDerWaalsContact C-N 3.3Å; R422-R424 PolarHBondContact O-N 3.13Å
423	S	38.9	Very low	42.8	Very low	104 Å²	104	115.6 Å²	115.6	73%	0.727	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	22.5	-162.7	-170.2	0	0	0	0	117.2	N419	N419-S423 WeakPolarHBondContact O-CB 3.27Å; N419-S423 PolarHBondContact O-N 3.41Å; N419-S423 VanDerWaalsContact O-N 3.13Å
424	R	41.1	Very low	41.8	Very low	239 Å²	239	116.9 Å²	116.9	90%	0.902	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.9	1.6	-176.5	-110.1	-174.2	-175.9	-176.6	0.3	118.4	R422	R422-R424 VanDerWaalsContact C-N 3.3Å; R422-R424 PolarHBondContact O-N 3.13Å
425	V	37.7	Very low	40.9	Very low	132 Å²	132	115.4 Å²	115.4	80%	0.8	62%	0.62	S	S	*	*			trans	-93.6	114.7	171.1	-179.5	0	0	0	0	108.7
426	G	37.1	Very low	39.9	Very low	66 Å²	66	117.8 Å²	117.8	68%	0.68	64%	0.641	S	S	*	*			trans	-137.9	113.9	172.9	0	0	0	0	0	109.8
427	L	33.4	Very low	38.6	Very low	165 Å²	165	125.4 Å²	125.4	86%	0.864	68%	0.68	S	S	*	*	S	Bend	trans	65.7	155.6	-178.3	-86.3	60.6	0	0	0	116.5
428	A	34.3	Very low	37.4	Very low	83 Å²	83	130.4 Å²	130.4	69%	0.686	72%	0.716	S	S	*	*			trans	64.4	84.6	-166.4	0	0	0	0	0	113.3
429	E	33.8	Very low	36.7	Very low	175 Å²	175	132 Å²	132	82%	0.818	74%	0.735	S	S	*	*				75.9	141.6	62.3	-60.1	-177.1	168.3	0	0	114.9
430	N	30.9	Very low	35.5	Very low	150 Å²	150	132.7 Å²	132.7	80%	0.802	76%	0.756	S	S	*	*			trans	77.8	60.1	167.4	-56.5	-22.6	0	0	0	120.7
431	T	30.8	Very low	34.2	Very low	147 Å²	147	136 Å²	136	90%	0.902	78%	0.775	S	S	*	*			trans	-144.1	138.9	131.7	-27.3	0	0	0	0	109.9
432	V	30.7	Very low	33.2	Very low	123 Å²	123	144.9 Å²	144.9	75%	0.745	80%	0.804	S	S	*	*			trans	-112.2	123	179.9	176.5	0	0	0	0	110.3	I434	V432-I434 HydrophobicContact CG1-CG1 4.3Å
433	T	34.3	Very low	32.5	Very low	135 Å²	135	144.5 Å²	144.5	83%	0.828	80%	0.802	S	S	*	*			trans	-119.1	145.5	154	49.1	0	0	0	0	108.2
434	I	30.3	Very low	32.1	Very low	155 Å²	155	146 Å²	146	80%	0.795	81%	0.807	S	S	*	*			trans	-97.1	108.7	-167.9	-58.5	171.7	0	0	0	109.6	V432	V432-I434 HydrophobicContact CG1-CG1 4.3Å
435	E	35.6	Very low	31.8	Very low	176 Å²	176	141 Å²	141	82%	0.822	80%	0.797	S	S	*	*			trans	-127.2	140.8	163.4	-70.5	-171.2	169.7	0	0	110.1
436	S	33.7	Very low	31.5	Very low	105 Å²	105	137.8 Å²	137.8	73%	0.734	78%	0.78	S	S	*	*			trans	-84.3	139.2	-154.5	-60.7	0	0	0	0	115.3	S438	S436-S438 PolarHBondContact O-N 2.77Å
437	N	29.4	Very low	31.4	Very low	177 Å²	177	145.6 Å²	145.6	95%	0.947	79%	0.789	S	S	*	*	S	Bend	trans	-72.7	55.7	-179.2	-79.8	-45.6	0	0	0	114.8
438	S	32.6	Very low	31.7	Very low	116 Å²	116	141 Å²	141	81%	0.811	77%	0.765	S	S	*	*	S	Bend	trans	-157.9	43.9	172.4	66	0	0	0	0	114.8	S436	S436-S438 PolarHBondContact O-N 2.77Å
439	G	30	Very low	32.1	Very low	62 Å²	62	142.3 Å²	142.3	64%	0.639	76%	0.757	S	S	*	*			trans	-157.4	92.4	178.7	0	0	0	0	0	112.8	F441	G439-F441 PolarHBondContact O-N 3.4Å; G439-F441 VanDerWaalsContact O-N 3.17Å
440	G	25.5	Very low	32.3	Very low	74 Å²	74	145.5 Å²	145.5	76%	0.763	76%	0.762	S	S	*	*			trans	-68.9	112.2	-173.5	0	0	0	0	0	113.4	R442	G440-R442 VanDerWaalsContact C-N 3.27Å; G440-R442 PolarHBondContact O-N 3.19Å
441	F	26.5	Very low	33.1	Very low	212 Å²	212	140.3 Å²	140.3	93%	0.93	74%	0.737	S	S	*	*			trans	-62	81.6	172.1	-105.4	56.9	0	0	0	111.8	G439 R443	G439-F441 PolarHBondContact O-N 3.4Å; G439-F441 VanDerWaalsContact O-N 3.17Å; F441-R443 PolarHBondContact O-N 2.94Å
442	R	28.2	Very low	34.2	Very low	228 Å²	228	135.1 Å²	135.1	86%	0.86	71%	0.713	S	S	*	*			trans	-73.1	105.6	175.6	-80.4	179.9	167.3	-108.7	3.2	110.2	G440 T444	G440-R442 VanDerWaalsContact C-N 3.27Å; G440-R442 PolarHBondContact O-N 3.19Å; R442-T444 PolarHBondContact O-N 3.19Å
443	R	28.8	Very low	35.6	Very low	210 Å²	210	130 Å²	130	79%	0.792	68%	0.681	S	S	*	*			trans	9.2	81	151	-55.3	-178.8	-177.1	-170.6	-0.2	115.4	F441 I445 S446	F441-R443 PolarHBondContact O-N 2.94Å; R443-I445 VanDerWaalsContact C-N 3.33Å; R443-S446 WeakPolarHBondContact O-CB 3.47Å
444	T	30.7	Very low	36.9	Very low	135 Å²	135	125.9 Å²	125.9	83%	0.828	65%	0.65	S	S	*	*	S	Bend	trans	-70.5	-33.2	171.9	44.9	0	0	0	0	111.4	R442 S446	R442-T444 PolarHBondContact O-N 3.19Å; T444-S446 PolarHBondContact O-N 2.96Å
445	I	34.3	Very low	38.5	Very low	135 Å²	135	118.5 Å²	118.5	69%	0.692	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	70.4	167.3	-41.8	177.2	0	0	0	109.8	R443	R443-I445 VanDerWaalsContact C-N 3.33Å
446	S	31.4	Very low	39.7	Very low	64 Å²	64	111 Å²	111	45%	0.448	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-158	9.4	-179.7	-163.4	0	0	0	0	116.9	R443 T444	R443-S446 WeakPolarHBondContact O-CB 3.47Å; T444-S446 PolarHBondContact O-N 2.96Å
447	R	33.6	Very low	41.1	Very low	231 Å²	231	106.1 Å²	106.1	87%	0.872	54%	0.543	S	S	*	.	S	Bend	trans	-138.5	-27.1	172.9	-79.8	-171	172.3	179.6	-3.2	115	E449	R447-E449 VanDerWaalsContact C-N 3.25Å; R447-E449 PolarHBondContact O-N 3.31Å
448	L	40.1	Very low	42.6	Very low	67 Å²	67	98.5 Å²	98.5	35%	0.351	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-72.9	-11.6	-168.6	-150.8	72.8	0	0	0	113.9	R450 S451 I453	L448-R450 PolarHBondContact O-N 3.02Å; L448-S451 WeakPolarHBondContact CD1-OG 3.46Å; L448-S451 WeakPolarHBondContact CG-OG 3.11Å; L448-S451 PolarHBondContact O-N 3.06Å; L448-S451 PolarHBondContact O-OG 3.44Å; L448-I453 HydrophobicContact CB-CD1 3.75Å; L448-I453 HydrophobicContact CB-CG1 4.4Å; L448-I453 HydrophobicContact CD2-CD1 3.7Å; L448-I453 HydrophobicContact CD2-CG1 3.92Å; L448-I453 HydrophobicContact CG-CD1 3.62Å; L448-I453 HydrophobicContact CG-CG1 3.77Å; L448-I453 VanDerWaalsContact O-CD1 3.24Å; L448-I453 WeakPolarHBondContact O-CD1 3.35Å; L448-I453 WeakPolarHBondContact O-CG1 3.18Å
449	E	42.3	Very low	44.2	Very low	112 Å²	112	94.1 Å²	94.1	52%	0.523	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-59.2	-9.5	178.3	-61.1	-176.3	126.2	0	0	115.1	R447	R447-E449 VanDerWaalsContact C-N 3.25Å; R447-E449 PolarHBondContact O-N 3.31Å
450	R	38.4	Very low	45.8	Very low	241 Å²	241	91.1 Å²	91.1	91%	0.909	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-102.2	-9.3	178	-66.6	-177.5	176.3	-176.6	-2.7	114.5	L448	L448-R450 PolarHBondContact O-N 3.02Å
451	S	48.9	Very low	47.7	Very low	42 Å²	42	88.3 Å²	88.3	29%	0.294	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	54	-168.6	58.1	0	0	0	0	113	L448 I453	L448-S451 WeakPolarHBondContact CD1-OG 3.46Å; L448-S451 WeakPolarHBondContact CG-OG 3.11Å; L448-S451 PolarHBondContact O-N 3.06Å; L448-S451 PolarHBondContact O-OG 3.44Å; S451-I453 PolarHBondContact O-N 3.35Å
452	G	54.4	Low	49.4	Very low	38 Å²	38	78.3 Å²	78.3	39%	0.392	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	-4.1	164	0	0	0	0	0	118.5	R454	G452-R454 PolarHBondContact O-N 2.84Å
453	I	59.2	Low	50.8	Low	14 Å²	14	70 Å²	70	7%	0.072	34%	0.341	C	S	.	.			trans	-48.8	125.8	-170.4	-34.2	158	0	0	0	112.8	H154 V155 N156 P408 L448 S451	H154-I453 HydrophobicContact CB-CG2 4.16Å; V155-I453 WeakPolarHBondContact O-CA 3.46Å; V155-I453 WeakPolarHBondContact O-CG2 3.47Å; N156-I453 WeakPolarHBondContact OD1-CG2 3.38Å; P408-I453 WeakPolarHBondContact CD-O 3.29Å; L448-I453 HydrophobicContact CB-CD1 3.75Å; L448-I453 HydrophobicContact CB-CG1 4.4Å; L448-I453 HydrophobicContact CD2-CD1 3.7Å; L448-I453 HydrophobicContact CD2-CG1 3.92Å; L448-I453 HydrophobicContact CG-CD1 3.62Å; L448-I453 HydrophobicContact CG-CG1 3.77Å; L448-I453 VanDerWaalsContact O-CD1 3.24Å; L448-I453 WeakPolarHBondContact O-CD1 3.35Å; L448-I453 WeakPolarHBondContact O-CG1 3.18Å; S451-I453 PolarHBondContact O-N 3.35Å
454	R	62.3	Low	52.1	Low	49 Å²	49	60.6 Å²	60.6	19%	0.185	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.2	164.6	-62.8	177.7	174.6	-163.3	0.1	108.2	V155 R405 G452 Y456 E596 D600	V155-R454 PolarHBondContact N-O 3.07Å; V155-R454 PolarHBondContact O-N 3.45Å; R405-R454 VanDerWaalsContact NH2-CZ 3.3Å; G452-R454 PolarHBondContact O-N 2.84Å; R454-Y456 HydrophobicContact CB-CE2 3.89Å; R454-E596 WeakPolarHBondContact CD-OE1 3.3Å; R454-E596 IonicContact CZ-OE1 2.67Å; R454-E596 IonicContact CZ-OE2 3.81Å; R454-E596 IonicContact NH1-OE1 3.46Å; R454-E596 PolarHBondContact NH1-OE1 2.83Å; R454-E596 IonicContact NH1-OE2 3.53Å; R454-E596 PolarHBondContact NH1-OE2 3.41Å; R454-D600 IonicContact CZ-OD2 3.74Å; R454-D600 IonicContact NH2-OD2 2.85Å; R454-D600 PolarHBondContact NH2-OD2 2.71Å
455	T	62.8	Low	53.1	Low	1 Å²	1	62 Å²	62	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.4	174.2	-59.8	0	0	0	0	110.1	E152 I153 H154 I406 V457	E152-T455 HydrophobicContact CG-CG2 4.1Å; I153-T455 CarbonylContact O-C 3.58Å; I153-T455 VanDerWaalsContact O-CA 3.3Å; I153-T455 WeakPolarHBondContact O-CA 3.13Å; H154-T455 WeakPolarHBondContact ND1-CG2 3.13Å; H154-T455 PolarHBondContact ND1-OG1 2.68Å; I406-T455 WeakPolarHBondContact CB-O 3.5Å; I406-T455 HydrophobicContact CD1-CG2 3.89Å; I406-T455 WeakPolarHBondContact CG1-O 3.33Å; I406-T455 PolarHBondContact N-O 2.85Å; I406-T455 PolarHBondContact O-N 3.49Å; T455-V457 HydrophobicContact CG2-CG2 4.25Å
456	Y	61.3	Low	53.8	Low	18 Å²	18	63.8 Å²	63.8	7%	0.071	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	133	175.5	-61.5	-81.4	0	0	0	109.6	E152 I153 V155 R404 R405 R454 L593 E596	E152-Y456 CarbonylContact C-O 3.45Å; E152-Y456 WeakPolarHBondContact CA-O 3.36Å; I153-Y456 PolarHBondContact N-O 3.26Å; I153-Y456 PolarHBondContact O-N 2.74Å; V155-Y456 HydrophobicContact CG2-CD2 4.37Å; V155-Y456 HydrophobicContact CG2-CE2 4.23Å; R404-Y456 WeakPolarHBondContact O-CA 3.37Å; R405-Y456 HydrophobicContact CB-CD1 3.9Å; R405-Y456 HydrophobicContact CB-CE1 3.7Å; R405-Y456 HydrophobicContact CG-CD1 4.2Å; R405-Y456 HydrophobicContact CG-CE1 3.67Å; R454-Y456 HydrophobicContact CB-CE2 3.89Å; Y456-L593 HydrophobicContact CD2-CD2 3.77Å; Y456-L593 HydrophobicContact CE2-CD2 4.08Å; Y456-L593 HydrophobicContact CG-CD2 4.26Å; Y456-E596 PolarHBondContact OH-OE1 2.78Å
457	V	62.3	Low	54.5	Low	3 Å²	3	62.7 Å²	62.7	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123	173.2	176.6	0	0	0	0	110.3	L151 E152 V403 R404 I406 I417 T455 T459	L151-V457 CarbonylContact O-C 3.57Å; L151-V457 VanDerWaalsContact O-CA 3.28Å; L151-V457 WeakPolarHBondContact O-CA 3.36Å; E152-V457 HydrophobicContact CB-CG2 4.05Å; E152-V457 HydrophobicContact CG-CG2 3.91Å; V403-V457 WeakPolarHBondContact CA-O 3.23Å; R404-V457 HydrophobicContact CG-CB 4.19Å; R404-V457 PolarHBondContact N-O 3.03Å; R404-V457 PolarHBondContact O-N 3.43Å; I406-V457 HydrophobicContact CD1-CG2 3.91Å; I417-V457 HydrophobicContact CD1-CG1 4.21Å; I417-V457 HydrophobicContact CG1-CG1 4.32Å; T455-V457 HydrophobicContact CG2-CG2 4.25Å; V457-T459 HydrophobicContact CG1-CG2 4.14Å
458	S	61.5	Low	55	Low	16 Å²	16	56 Å²	56	11%	0.112	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	146.5	164.8	79.1	0	0	0	0	110.8	S150 L151 Q402	S150-S458 CarbonylContact C-O 3.52Å; S150-S458 VanDerWaalsContact CA-O 3.24Å; S150-S458 WeakPolarHBondContact CA-O 3.4Å; L151-S458 PolarHBondContact N-O 3.3Å; L151-S458 PolarHBondContact O-N 2.87Å; Q402-S458 CarbonylContact O-C 3.49Å; Q402-S458 VanDerWaalsContact O-CA 3.27Å; Q402-S458 WeakPolarHBondContact O-CA 3.47Å
459	T	65	Low	55.3	Low	24 Å²	24	60.6 Å²	60.6	15%	0.147	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	133.1	169	76.8	0	0	0	0	109.5	F149 S150 L401 Q402 V457	F149-T459 CarbonylContact O-C 3.58Å; F149-T459 WeakPolarHBondContact O-CA 3.34Å; S150-T459 WeakPolarHBondContact OG-CB 3.09Å; S150-T459 WeakPolarHBondContact OG-CG2 3.48Å; L401-T459 CarbonylContact C-O 3.43Å; L401-T459 WeakPolarHBondContact CA-O 3.33Å; Q402-T459 PolarHBondContact N-O 2.78Å; Q402-T459 PolarHBondContact O-N 3.08Å; V457-T459 HydrophobicContact CG1-CG2 4.14Å
460	I	64	Low	55.3	Low	0 Å²	0	62 Å²	62	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.3	176.9	-58.9	167.8	0	0	0	107.8	R148 F149 L399 D400 L401 V462 I585	R148-I460 CarbonylContact C-O 3.46Å; R148-I460 WeakPolarHBondContact CA-O 3.49Å; F149-I460 HydrophobicContact CB-CB 4.31Å; F149-I460 HydrophobicContact CD1-CD1 3.93Å; F149-I460 HydrophobicContact CD1-CG1 4.3Å; F149-I460 PolarHBondContact N-O 3.02Å; F149-I460 PolarHBondContact O-N 2.96Å; L399-I460 HydrophobicContact CB-CG2 4.32Å; L399-I460 HydrophobicContact CD2-CG2 4.49Å; D400-I460 CarbonylContact O-C 3.4Å; D400-I460 WeakPolarHBondContact O-CA 3.27Å; L401-I460 HydrophobicContact CD1-CD1 4.29Å; L401-I460 HydrophobicContact CD1-CG1 3.56Å; I460-V462 HydrophobicContact CG2-CG2 4.04Å; I460-I585 HydrophobicContact CD1-CB 4.47Å; I460-I585 HydrophobicContact CD1-CD1 3.5Å; I460-I585 VanDerWaalsContact CD1-CD1 3.5Å; I460-I585 HydrophobicContact CD1-CG1 3.76Å; I460-I585 HydrophobicContact CD1-CG2 3.87Å
461	T	66.3	Low	55.3	Low	15 Å²	15	59.2 Å²	59.2	9%	0.092	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.7	171.9	-48.7	0	0	0	0	109.7	E146 R148 D400	E146-T461 HydrophobicContact CG-CG2 3.68Å; R148-T461 HydrophobicContact CG-CG2 4.27Å; D400-T461 PolarHBondContact N-O 3.42Å; D400-T461 PolarHBondContact O-N 3.05Å
462	V	61.5	Low	54.8	Low	2 Å²	2	64.5 Å²	64.5	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	108.9	178	-169.7	0	0	0	0	108.8	F147 I397 L399 I460 L464	F147-V462 HydrophobicContact CB-CB 4.3Å; F147-V462 HydrophobicContact CD1-CB 4.29Å; F147-V462 HydrophobicContact CD1-CG2 3.99Å; F147-V462 PolarHBondContact N-O 2.71Å; F147-V462 VanDerWaalsContact N-O 3.08Å; F147-V462 PolarHBondContact O-N 3.13Å; I397-V462 HydrophobicContact CG2-CG1 4.41Å; L399-V462 HydrophobicContact CD2-CG1 4.36Å; L399-V462 HydrophobicContact CD2-CG2 3.63Å; I460-V462 HydrophobicContact CG2-CG2 4.04Å; V462-L464 HydrophobicContact CG1-CD2 3.9Å; V462-L464 PolarHBondContact O-N 3.48Å; V462-L464 VanDerWaalsContact O-N 3.17Å
463	P	57.3	Low	54.3	Low	53 Å²	53	66.7 Å²	66.7	34%	0.344	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	89.3	178.4	32.2	-32.8	0	0	0	110.4	R465 R466	P463-R465 PolarHBondContact O-N 3.13Å; P463-R466 PolarHBondContact O-N 2.72Å
464	L	56.3	Low	53.6	Low	12 Å²	12	70.3 Å²	70.3	6%	0.063	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-63	-18.8	-173.2	-54.2	167.2	0	0	0	113.3	L114 G145 F147 V462 R466 I467	L114-L464 HydrophobicContact CD1-CD1 4.03Å; L114-L464 HydrophobicContact CD2-CD1 3.97Å; G145-L464 WeakPolarHBondContact O-CB 3.43Å; G145-L464 WeakPolarHBondContact O-CD1 3.27Å; G145-L464 WeakPolarHBondContact O-CG 3.23Å; G145-L464 PolarHBondContact O-N 2.77Å; F147-L464 HydrophobicContact CB-CD1 4.12Å; F147-L464 HydrophobicContact CB-CG 4.41Å; V462-L464 HydrophobicContact CG1-CD2 3.9Å; V462-L464 PolarHBondContact O-N 3.48Å; V462-L464 VanDerWaalsContact O-N 3.17Å; L464-R466 PolarHBondContact O-N 3.33Å; L464-I467 HydrophobicContact CB-CD1 4.12Å; L464-I467 HydrophobicContact CD2-CD1 3.64Å; L464-I467 WeakPolarHBondContact O-CB 3.38Å; L464-I467 WeakPolarHBondContact O-CG1 3.31Å; L464-I467 PolarHBondContact O-N 3.47Å
465	R	52.6	Low	52.6	Low	166 Å²	166	71.7 Å²	71.7	63%	0.626	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-57	-9	174.7	-81.1	179.5	173.5	-177.5	-0.3	115.7	N143 N144 P463	N143-R465 PolarHBondContact O-NH2 3.13Å; N143-R465 VanDerWaalsContact O-NH2 3.14Å; N144-R465 VanDerWaalsContact O-CD 3.25Å; N144-R465 WeakPolarHBondContact O-CD 3.49Å; N144-R465 WeakPolarHBondContact O-CG 3.45Å; N144-R465 PolarHBondContact O-NE 2.94Å; N144-R465 VanDerWaalsContact O-NE 3.1Å; P463-R465 PolarHBondContact O-N 3.13Å
466	R	47.4	Very low	52.1	Low	171 Å²	171	73 Å²	73	65%	0.645	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-93.6	-2.8	174.5	-67.6	-171.6	174.9	-153.6	-2.6	114.6	P463 L464	P463-R466 PolarHBondContact O-N 2.72Å; L464-R466 PolarHBondContact O-N 3.33Å
467	I	47.8	Very low	51.9	Low	42 Å²	42	73 Å²	73	22%	0.215	37%	0.374	C	S	.	.	S	Bend	trans	-93.2	-22	-169	-58.6	168.8	0	0	0	111.4	L110 L464 L480	L110-I467 HydrophobicContact CD2-CG2 4.04Å; L464-I467 HydrophobicContact CB-CD1 4.12Å; L464-I467 HydrophobicContact CD2-CD1 3.64Å; L464-I467 WeakPolarHBondContact O-CB 3.38Å; L464-I467 WeakPolarHBondContact O-CG1 3.31Å; L464-I467 PolarHBondContact O-N 3.47Å; I467-L480 HydrophobicContact CD1-CD1 3.81Å; I467-L480 HydrophobicContact CD1-CD2 4.03Å; I467-L480 HydrophobicContact CG1-CD1 4.21Å; I467-L480 HydrophobicContact CG2-CD1 3.61Å
468	S	44.1	Very low	51.7	Low	91 Å²	91	77.4 Å²	77.4	64%	0.636	40%	0.4	S	S	*	.	S	Bend	trans	-108.7	28.5	-170.7	64.2	0	0	0	0	114.3
469	E	45.2	Very low	51.4	Low	163 Å²	163	78.6 Å²	78.6	76%	0.762	41%	0.411	S	S	*	.	S	Bend	trans	-130.1	21.1	-171.3	-147.3	166.4	-132.7	0	0	112.6
470	N	43.5	Very low	51	Low	142 Å²	142	77.8 Å²	77.8	76%	0.759	41%	0.406	S	S	*	.			trans	-137.6	92.9	175.3	-85.4	111.6	0	0	0	109.9	L472	N470-L472 PolarHBondContact O-N 3.1Å
471	E	38.4	Very low	50.9	Low	181 Å²	181	80.3 Å²	80.3	85%	0.846	42%	0.415	S	S	*	.			trans	-66.5	17.5	-172.4	-57.5	171.6	119.3	0	0	115.9
472	L	37.5	Very low	50.5	Low	154 Å²	154	81.5 Å²	81.5	81%	0.806	42%	0.424	S	S	*	.	S	Bend	trans	-147.2	129.2	-176.1	-70.2	174.6	0	0	0	112.5	N470	N470-L472 PolarHBondContact O-N 3.1Å
473	V	43	Very low	50.4	Low	83 Å²	83	83.3 Å²	83.3	50%	0.503	43%	0.434	S	S	.	.			trans	84	115.8	172.5	-172.6	0	0	0	0	115.2	P475	V473-P475 VanDerWaalsContact C-CD 3.42Å; V473-P475 HydrophobicContact CG1-CG 4.36Å
474	E	44.6	Very low	50.5	Low	90 Å²	90	81.2 Å²	81.2	42%	0.421	42%	0.419	S	S	.	.			trans	-113	15.4	-154	-146.4	171.3	177.8	0	0	119.3	H106 S476	H106-E474 WeakPolarHBondContact CB-OE1 3.49Å; H106-E474 IonicContact CE1-OE1 3Å; H106-E474 IonicContact CG-OE1 2.89Å; H106-E474 IonicContact ND1-OE1 3.41Å; H106-E474 PolarHBondContact ND1-OE1 3.26Å; H106-E474 IonicContact ND1-OE2 2.67Å; H106-E474 PolarHBondContact ND1-OE2 3.32Å; E474-S476 VanDerWaalsContact C-N 3.27Å; E474-S476 PolarHBondContact O-N 3.06Å
475	P	41.7	Very low	50.8	Low	78 Å²	78	86 Å²	86	51%	0.506	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-9.9	179.8	34.9	-36.6	0	0	0	113.5	V473 S477	V473-P475 VanDerWaalsContact C-CD 3.42Å; V473-P475 HydrophobicContact CG1-CG 4.36Å; P475-S477 PolarHBondContact O-N 3.06Å
476	S	52.5	Low	51.2	Low	29 Å²	29	80 Å²	80	20%	0.203	42%	0.416	C	S	.	.	H	α-helix	trans	-62.7	-29.5	-173.8	65	0	0	0	0	113.3	E474 L480	E474-S476 VanDerWaalsContact C-N 3.27Å; E474-S476 PolarHBondContact O-N 3.06Å; S476-L480 VanDerWaalsContact O-CB 3.28Å; S476-L480 WeakPolarHBondContact O-CB 3.44Å; S476-L480 WeakPolarHBondContact O-CD1 3.33Å; S476-L480 WeakPolarHBondContact O-CG 3.49Å; S476-L480 PolarHBondContact O-N 3.02Å
477	S	57.7	Low	51.7	Low	19 Å²	19	71.9 Å²	71.9	13%	0.133	39%	0.385	C	S	.	.	H	α-helix	trans	-69.8	-43.3	-169.8	62.9	0	0	0	0	113	P475 L480 R481	P475-S477 PolarHBondContact O-N 3.06Å; S477-L480 PolarHBondContact O-N 3.03Å; S477-R481 WeakPolarHBondContact O-CB 3.42Å; S477-R481 WeakPolarHBondContact O-CG 3.46Å; S477-R481 PolarHBondContact O-N 2.97Å
478	V	57.4	Low	52	Low	95 Å²	95	71.3 Å²	71.3	58%	0.576	38%	0.382	S	S	*	.	H	α-helix	trans	-68.4	-44.8	179.9	-178	0	0	0	0	110.6	L480 R481 S482	V478-L480 PolarHBondContact O-N 2.76Å; V478-R481 PolarHBondContact O-N 3.19Å; V478-S482 WeakPolarHBondContact O-CB 3.47Å; V478-S482 PolarHBondContact O-N 3.46Å
479	A	55.6	Low	52.6	Low	41 Å²	41	70.7 Å²	70.7	34%	0.339	37%	0.374	S	S	.	.	H	α-helix	trans	-60.2	-45.6	175	0	0	0	0	0	111.8	S482 I483	A479-S482 PolarHBondContact O-N 2.91Å; A479-I483 WeakPolarHBondContact O-CB 3.49Å; A479-I483 VanDerWaalsContact O-CG1 3.31Å; A479-I483 WeakPolarHBondContact O-CG1 3.27Å; A479-I483 PolarHBondContact O-N 2.73Å
480	L	57.4	Low	53	Low	7 Å²	7	63 Å²	63	4%	0.037	34%	0.338	C	S	.	.	H	α-helix	trans	-61.1	-46.3	175.6	-85.9	163.5	0	0	0	113	L110 I397 I467 S476 S477 V478 S482 L484	L110-L480 HydrophobicContact CD1-CB 4Å; L110-L480 HydrophobicContact CD1-CD1 3.96Å; I397-L480 HydrophobicContact CD1-CD1 4.13Å; I397-L480 HydrophobicContact CD1-CD2 3.71Å; I397-L480 HydrophobicContact CD1-CG 3.72Å; I397-L480 HydrophobicContact CG1-CD1 4.49Å; I397-L480 HydrophobicContact CG1-CD2 3.98Å; I397-L480 HydrophobicContact CG1-CG 4.38Å; I397-L480 HydrophobicContact CG2-CD2 4.26Å; I467-L480 HydrophobicContact CD1-CD1 3.81Å; I467-L480 HydrophobicContact CD1-CD2 4.03Å; I467-L480 HydrophobicContact CG1-CD1 4.21Å; I467-L480 HydrophobicContact CG2-CD1 3.61Å; S476-L480 VanDerWaalsContact O-CB 3.28Å; S476-L480 WeakPolarHBondContact O-CB 3.44Å; S476-L480 WeakPolarHBondContact O-CD1 3.33Å; S476-L480 WeakPolarHBondContact O-CG 3.49Å; S476-L480 PolarHBondContact O-N 3.02Å; S477-L480 PolarHBondContact O-N 3.03Å; V478-L480 PolarHBondContact O-N 2.76Å; L480-S482 VanDerWaalsContact C-N 3.31Å; L480-S482 PolarHBondContact O-N 2.75Å; L480-L484 VanDerWaalsContact O-CB 3.3Å; L480-L484 WeakPolarHBondContact O-CB 3.23Å; L480-L484 VanDerWaalsContact O-CG 3.27Å; L480-L484 WeakPolarHBondContact O-CG 3.41Å; L480-L484 PolarHBondContact O-N 2.97Å
481	R	60.4	Low	53.4	Low	53 Å²	53	56.6 Å²	56.6	20%	0.2	30%	0.304	C	S	.	.	H	α-helix	trans	-59.2	-43.6	174.3	-73.7	172.2	-174.4	157	0.7	111.2	S109 W113 S477 V478 R485	S109-R481 PolarHBondContact O-NH2 3.2Å; S109-R481 PolarHBondContact OG-NH2 3.17Å; W113-R481 HydrophobicContact CD2-CG 3.7Å; W113-R481 HydrophobicContact CE3-CG 3.88Å; W113-R481 HydrophobicContact CG-CG 4.02Å; W113-R481 HydrophobicContact CZ2-CB 4.46Å; W113-R481 HydrophobicContact CZ2-CG 4.46Å; W113-R481 HydrophobicContact CZ3-CG 4.34Å; S477-R481 WeakPolarHBondContact O-CB 3.42Å; S477-R481 WeakPolarHBondContact O-CG 3.46Å; S477-R481 PolarHBondContact O-N 2.97Å; V478-R481 PolarHBondContact O-N 3.19Å; R481-R485 WeakPolarHBondContact O-CB 3.49Å; R481-R485 PolarHBondContact O-N 2.88Å
482	S	58.7	Low	53.8	Low	40 Å²	40	50.4 Å²	50.4	28%	0.28	29%	0.289	S	S	.	.	H	α-helix	trans	-65.1	-52.5	-179.4	-154.5	0	0	0	0	111.2	V478 A479 L480 L484 R485 Q486	V478-S482 WeakPolarHBondContact O-CB 3.47Å; V478-S482 PolarHBondContact O-N 3.46Å; A479-S482 PolarHBondContact O-N 2.91Å; L480-S482 VanDerWaalsContact C-N 3.31Å; L480-S482 PolarHBondContact O-N 2.75Å; S482-L484 VanDerWaalsContact C-N 3.35Å; S482-L484 PolarHBondContact O-N 2.93Å; S482-R485 WeakPolarHBondContact O-CB 3.44Å; S482-R485 PolarHBondContact O-N 3.36Å; S482-R485 PolarHBondContact OG-NH2 3.48Å; S482-Q486 WeakPolarHBondContact O-CB 3.22Å; S482-Q486 PolarHBondContact O-N 2.86Å
483	I	59	Low	54.4	Low	40 Å²	40	46.6 Å²	46.6	21%	0.205	27%	0.267	C	S	.	.	H	α-helix	trans	-57.9	-45.6	177.6	-67.3	164.7	0	0	0	111	A479 Q486 I487 L583	A479-I483 WeakPolarHBondContact O-CB 3.49Å; A479-I483 VanDerWaalsContact O-CG1 3.31Å; A479-I483 WeakPolarHBondContact O-CG1 3.27Å; A479-I483 PolarHBondContact O-N 2.73Å; I483-Q486 PolarHBondContact O-N 3.26Å; I483-I487 HydrophobicContact CG2-CD1 3.95Å; I483-I487 WeakPolarHBondContact O-CB 3.29Å; I483-I487 VanDerWaalsContact O-CG1 3.26Å; I483-I487 WeakPolarHBondContact O-CG1 3.26Å; I483-I487 PolarHBondContact O-N 3.47Å; I483-L583 HydrophobicContact CG2-CD2 4.41Å
484	L	59.6	Low	54.5	Low	9 Å²	9	42.9 Å²	42.9	5%	0.047	24%	0.244	C	C	.	.	H	α-helix	trans	-65.7	-45.6	178.6	-72.2	170.9	0	0	0	111.6	W113 L114 F147 L480 S482 Q486 I487 M488	W113-L484 HydrophobicContact CH2-CB 3.83Å; W113-L484 HydrophobicContact CH2-CD1 4.31Å; W113-L484 HydrophobicContact CZ3-CB 4.25Å; W113-L484 HydrophobicContact CZ3-CD1 3.86Å; L114-L484 HydrophobicContact CD2-CD1 4.25Å; F147-L484 HydrophobicContact CD1-CD2 3.76Å; F147-L484 HydrophobicContact CE1-CD2 3.69Å; F147-L484 HydrophobicContact CE2-CD2 4.46Å; F147-L484 HydrophobicContact CG-CD2 4.19Å; F147-L484 HydrophobicContact CZ-CD2 4.06Å; L480-L484 VanDerWaalsContact O-CB 3.3Å; L480-L484 WeakPolarHBondContact O-CB 3.23Å; L480-L484 VanDerWaalsContact O-CG 3.27Å; L480-L484 WeakPolarHBondContact O-CG 3.41Å; L480-L484 PolarHBondContact O-N 2.97Å; S482-L484 VanDerWaalsContact C-N 3.35Å; S482-L484 PolarHBondContact O-N 2.93Å; L484-Q486 VanDerWaalsContact C-N 3.35Å; L484-Q486 PolarHBondContact O-N 3.37Å; L484-I487 PolarHBondContact O-N 3.01Å; L484-M488 WeakPolarHBondContact O-CE 3.38Å; L484-M488 VanDerWaalsContact O-CG 3.23Å; L484-M488 WeakPolarHBondContact O-CG 3.39Å; L484-M488 PolarHBondContact O-N 3.2Å
485	R	62.6	Low	54.4	Low	111 Å²	111	40.5 Å²	40.5	42%	0.419	24%	0.238	S	C	.	.	H	α-helix	trans	-54.6	-50.9	173.2	172.9	178.9	59.4	-154.4	-4.4	110.8	R481 S482 I487 M488 T489	R481-R485 WeakPolarHBondContact O-CB 3.49Å; R481-R485 PolarHBondContact O-N 2.88Å; S482-R485 WeakPolarHBondContact O-CB 3.44Å; S482-R485 PolarHBondContact O-N 3.36Å; S482-R485 PolarHBondContact OG-NH2 3.48Å; R485-I487 VanDerWaalsContact C-N 3.35Å; R485-I487 PolarHBondContact O-N 3.25Å; R485-M488 CarbonylContact O-C 3.58Å; R485-M488 WeakPolarHBondContact O-CA 3.4Å; R485-M488 WeakPolarHBondContact O-CB 3.47Å; R485-M488 PolarHBondContact O-N 3.44Å; R485-T489 HydrophobicContact CG-CG2 4.08Å; R485-T489 PolarHBondContact O-N 2.96Å; R485-T489 PolarHBondContact O-OG1 2.98Å
486	Q	61	Low	54.5	Low	41 Å²	41	39.9 Å²	39.9	19%	0.192	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-34.9	-178.3	-163.2	-176.3	6.5	0	0	112.4	S482 I483 L484 M488 G490 G581 L583	S482-Q486 WeakPolarHBondContact O-CB 3.22Å; S482-Q486 PolarHBondContact O-N 2.86Å; I483-Q486 PolarHBondContact O-N 3.26Å; L484-Q486 VanDerWaalsContact C-N 3.35Å; L484-Q486 PolarHBondContact O-N 3.37Å; Q486-M488 PolarHBondContact O-N 2.98Å; Q486-G490 WeakPolarHBondContact O-CA 3.19Å; Q486-G490 PolarHBondContact O-N 2.93Å; Q486-G581 PolarHBondContact NE2-O 3.49Å; Q486-L583 HydrophobicContact CB-CD1 3.97Å; Q486-L583 HydrophobicContact CB-CG 4.3Å; Q486-L583 VanDerWaalsContact CD-CG 3.45Å; Q486-L583 HydrophobicContact CG-CD1 3.8Å; Q486-L583 HydrophobicContact CG-CD2 4.26Å; Q486-L583 HydrophobicContact CG-CG 3.69Å
487	I	59	Low	54.1	Low	1 Å²	1	41.3 Å²	41.3	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-21.6	168.6	-73	170.8	0	0	0	112.3	F147 F149 I483 L484 R485 F491 L583 I585	F147-I487 HydrophobicContact CE1-CG2 4.4Å; F147-I487 HydrophobicContact CZ-CG2 4.47Å; F149-I487 HydrophobicContact CB-CG2 3.82Å; F149-I487 HydrophobicContact CD1-CG2 4.15Å; F149-I487 HydrophobicContact CD2-CG2 3.45Å; F149-I487 VanDerWaalsContact CD2-CG2 3.45Å; F149-I487 HydrophobicContact CE2-CG2 4.01Å; F149-I487 VanDerWaalsContact CE2-O 3.31Å; F149-I487 WeakPolarHBondContact CE2-O 3.46Å; F149-I487 HydrophobicContact CG-CG2 3.53Å; I483-I487 HydrophobicContact CG2-CD1 3.95Å; I483-I487 WeakPolarHBondContact O-CB 3.29Å; I483-I487 VanDerWaalsContact O-CG1 3.26Å; I483-I487 WeakPolarHBondContact O-CG1 3.26Å; I483-I487 PolarHBondContact O-N 3.47Å; L484-I487 PolarHBondContact O-N 3.01Å; R485-I487 VanDerWaalsContact C-N 3.35Å; R485-I487 PolarHBondContact O-N 3.25Å; I487-F491 WeakPolarHBondContact O-CD2 3.4Å; I487-F491 VanDerWaalsContact O-CE2 3.27Å; I487-F491 WeakPolarHBondContact O-CE2 3.39Å; I487-L583 HydrophobicContact CB-CD1 4.36Å; I487-L583 HydrophobicContact CG1-CD1 3.5Å; I487-I585 HydrophobicContact CD1-CD1 3.89Å; I487-I585 HydrophobicContact CG1-CD1 3.92Å
488	M	53.1	Low	53.5	Low	29 Å²	29	41.7 Å²	41.7	14%	0.143	24%	0.241	C	C	.	.	H	α-helix	trans	-111.7	-15.4	-172.8	-59.8	-178	-48.7	0	0	114	W113 F117 R125 F147 L484 R485 Q486	W113-M488 HydrophobicContact CH2-CE 4.46Å; F117-M488 HydrophobicContact CD2-CE 4.07Å; F117-M488 HydrophobicContact CE1-CE 3.96Å; F117-M488 HydrophobicContact CE1-SD 3.63Å; F117-M488 HydrophobicContact CE2-CE 3.43Å; F117-M488 VanDerWaalsContact CE2-CE 3.43Å; F117-M488 HydrophobicContact CE2-SD 3.85Å; F117-M488 HydrophobicContact CZ-CE 3.39Å; F117-M488 HydrophobicContact CZ-SD 3.16Å; F117-M488 WeakPolarHBondContact CZ-SD 3.44Å; R125-M488 PolarHBondContact NE-O 2.98Å; F147-M488 HydrophobicContact CE2-SD 3.77Å; F147-M488 HydrophobicContact CZ-CG 4.3Å; F147-M488 HydrophobicContact CZ-SD 3.83Å; L484-M488 WeakPolarHBondContact O-CE 3.38Å; L484-M488 VanDerWaalsContact O-CG 3.23Å; L484-M488 WeakPolarHBondContact O-CG 3.39Å; L484-M488 PolarHBondContact O-N 3.2Å; R485-M488 CarbonylContact O-C 3.58Å; R485-M488 WeakPolarHBondContact O-CA 3.4Å; R485-M488 WeakPolarHBondContact O-CB 3.47Å; R485-M488 PolarHBondContact O-N 3.44Å; Q486-M488 PolarHBondContact O-N 2.98Å
489	T	56.7	Low	53.1	Low	78 Å²	78	41.8 Å²	41.8	48%	0.479	24%	0.235	S	C	.	.	H	α-helix	trans	-113.9	-37.4	177.3	60.7	0	0	0	0	113.2	R485 F491 G492	R485-T489 HydrophobicContact CG-CG2 4.08Å; R485-T489 PolarHBondContact O-N 2.96Å; R485-T489 PolarHBondContact O-OG1 2.98Å; T489-F491 PolarHBondContact O-N 3.14Å; T489-G492 PolarHBondContact O-N 2.69Å; T489-G492 VanDerWaalsContact O-N 3.13Å
490	G	54.3	Low	52.8	Low	1 Å²	1	42.8 Å²	42.8	1%	0.01	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	30	-177	0	0	0	0	0	115.1	Q486 E493 L586	Q486-G490 WeakPolarHBondContact O-CA 3.19Å; Q486-G490 PolarHBondContact O-N 2.93Å; G490-E493 WeakPolarHBondContact CA-OE1 3.28Å; G490-L586 WeakPolarHBondContact O-CD1 3.3Å
491	F	50.4	Low	52.1	Low	8 Å²	8	45.1 Å²	45.1	4%	0.035	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-5	168.5	-75.4	-79.6	0	0	0	112.2	F149 L151 I487 T489 L494 L586	F149-F491 HydrophobicContact CE1-CE2 4.2Å; F149-F491 HydrophobicContact CE1-CZ 4.09Å; F149-F491 HydrophobicContact CE2-CD2 4.3Å; F149-F491 AromaticContact CE2-CE2 3.83Å; F149-F491 HydrophobicContact CE2-CE2 3.83Å; F149-F491 HydrophobicContact CE2-CZ 4.44Å; F149-F491 HydrophobicContact CZ-CD2 4.13Å; F149-F491 HydrophobicContact CZ-CE1 4.4Å; F149-F491 AromaticContact CZ-CE2 3.36Å; F149-F491 HydrophobicContact CZ-CE2 3.36Å; F149-F491 AromaticContact CZ-CZ 3.54Å; F149-F491 HydrophobicContact CZ-CZ 3.54Å; L151-F491 HydrophobicContact CD1-CD1 4.16Å; L151-F491 HydrophobicContact CD1-CE1 3.96Å; L151-F491 HydrophobicContact CD2-CD1 4.43Å; L151-F491 HydrophobicContact CD2-CE1 3.55Å; L151-F491 HydrophobicContact CD2-CZ 4.13Å; L151-F491 HydrophobicContact CG-CE1 4.35Å; I487-F491 WeakPolarHBondContact O-CD2 3.4Å; I487-F491 VanDerWaalsContact O-CE2 3.27Å; I487-F491 WeakPolarHBondContact O-CE2 3.39Å; T489-F491 PolarHBondContact O-N 3.14Å; F491-L494 HydrophobicContact CD1-CB 4.39Å; F491-L494 HydrophobicContact CD1-CD1 3.56Å; F491-L494 HydrophobicContact CD1-CG 3.72Å; F491-L494 HydrophobicContact CE1-CD1 3.68Å; F491-L494 HydrophobicContact CE1-CG 4.06Å; F491-L494 PolarHBondContact O-N 2.89Å; F491-L586 HydrophobicContact CD1-CD2 4.4Å; F491-L586 HydrophobicContact CE1-CD2 3.76Å; F491-L586 HydrophobicContact CE2-CD2 4.5Å; F491-L586 HydrophobicContact CZ-CD2 3.82Å
492	G	48.5	Very low	51	Low	52 Å²	52	45.5 Å²	45.5	54%	0.536	27%	0.266	S	S	.	.	S	Bend	trans	-65.4	-43	158.2	0	0	0	0	0	110.8	T489 L494 S495	T489-G492 PolarHBondContact O-N 2.69Å; T489-G492 VanDerWaalsContact O-N 3.13Å; G492-L494 PolarHBondContact O-N 3.35Å; G492-L494 VanDerWaalsContact O-N 3.13Å; G492-S495 PolarHBondContact O-N 3.4Å
493	E	48.4	Very low	50.1	Low	74 Å²	74	50.7 Å²	50.7	35%	0.346	29%	0.286	S	S	.	.	H	α-helix	trans	-58.1	-20.1	171.9	-67	155.5	-128.8	0	0	114.1	G490 S495 S496 L497	G490-E493 WeakPolarHBondContact CA-OE1 3.28Å; E493-S495 VanDerWaalsContact C-N 3.33Å; E493-S496 PolarHBondContact O-OG 2.85Å; E493-L497 WeakPolarHBondContact O-CB 3.44Å; E493-L497 PolarHBondContact O-N 2.82Å
494	L	46.1	Very low	49.1	Very low	4 Å²	4	52 Å²	52	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-71	-27.7	174.6	-87.8	-152.9	0	0	0	112.8	F491 G492 L497 M498 L586	F491-L494 HydrophobicContact CD1-CB 4.39Å; F491-L494 HydrophobicContact CD1-CD1 3.56Å; F491-L494 HydrophobicContact CD1-CG 3.72Å; F491-L494 HydrophobicContact CE1-CD1 3.68Å; F491-L494 HydrophobicContact CE1-CG 4.06Å; F491-L494 PolarHBondContact O-N 2.89Å; G492-L494 PolarHBondContact O-N 3.35Å; G492-L494 VanDerWaalsContact O-N 3.13Å; L494-L497 HydrophobicContact CD2-CB 4.43Å; L494-L497 HydrophobicContact CD2-CD2 3.75Å; L494-M498 WeakPolarHBondContact O-CB 3.48Å; L494-M498 WeakPolarHBondContact O-CG 3.41Å; L494-M498 PolarHBondContact O-N 2.84Å; L494-M498 VanDerWaalsContact O-SD 3.4Å; L494-L586 HydrophobicContact CD2-CD2 3.94Å; L494-L586 HydrophobicContact CG-CD2 4.18Å
495	S	42	Very low	48.1	Very low	41 Å²	41	59 Å²	59	29%	0.287	33%	0.331	S	S	.	.	H	α-helix	trans	-64	-53.2	174.8	-62.1	0	0	0	0	110.1	G492 E493 L497 M498 E499	G492-S495 PolarHBondContact O-N 3.4Å; E493-S495 VanDerWaalsContact C-N 3.33Å; S495-L497 PolarHBondContact O-N 3.13Å; S495-M498 CarbonylContact O-C 3.49Å; S495-M498 WeakPolarHBondContact O-CA 3.22Å; S495-M498 WeakPolarHBondContact O-CB 3.27Å; S495-M498 PolarHBondContact O-N 3.47Å; S495-E499 VanDerWaalsContact C-CD 3.49Å; S495-E499 WeakPolarHBondContact CB-OE1 3.49Å; S495-E499 VanDerWaalsContact O-CD 3.25Å; S495-E499 WeakPolarHBondContact O-CG 3.43Å; S495-E499 PolarHBondContact O-N 3.39Å; S495-E499 VanDerWaalsContact O-OE1 3.12Å
496	S	44.5	Very low	47	Very low	65 Å²	65	59 Å²	59	46%	0.455	34%	0.339	S	S	.	.	H	α-helix	trans	-67.5	-32	179.3	57.1	0	0	0	0	113.9	E493 M498 E499 A500	E493-S496 PolarHBondContact O-OG 2.85Å; S496-M498 VanDerWaalsContact C-N 3.28Å; S496-M498 PolarHBondContact O-N 2.79Å; S496-E499 WeakPolarHBondContact CA-OE2 3.26Å; S496-E499 PolarHBondContact O-N 2.9Å; S496-A500 WeakPolarHBondContact O-CB 3.41Å; S496-A500 PolarHBondContact O-N 3.09Å
497	L	43	Very low	46	Very low	58 Å²	58	64.6 Å²	64.6	30%	0.304	37%	0.365	S	S	.	.	H	α-helix	trans	-65.6	-30.9	170.7	-167.3	71.1	0	0	0	112.3	E493 L494 S495	E493-L497 WeakPolarHBondContact O-CB 3.44Å; E493-L497 PolarHBondContact O-N 2.82Å; L494-L497 HydrophobicContact CD2-CB 4.43Å; L494-L497 HydrophobicContact CD2-CD2 3.75Å; S495-L497 PolarHBondContact O-N 3.13Å
498	M	46.2	Very low	45	Very low	28 Å²	28	75.2 Å²	75.2	14%	0.138	41%	0.405	C	S	.	.	H	α-helix	trans	-83	-26.8	175.3	-68.9	167.2	67.3	0	0	112.7	N129 Q132 L494 S495 S496 S502	N129-M498 HydrophobicContact CB-CE 4.09Å; Q132-M498 HydrophobicContact CB-CE 3.62Å; Q132-M498 HydrophobicContact CG-CE 4.07Å; L494-M498 WeakPolarHBondContact O-CB 3.48Å; L494-M498 WeakPolarHBondContact O-CG 3.41Å; L494-M498 PolarHBondContact O-N 2.84Å; L494-M498 VanDerWaalsContact O-SD 3.4Å; S495-M498 CarbonylContact O-C 3.49Å; S495-M498 WeakPolarHBondContact O-CA 3.22Å; S495-M498 WeakPolarHBondContact O-CB 3.27Å; S495-M498 PolarHBondContact O-N 3.47Å; S496-M498 VanDerWaalsContact C-N 3.28Å; S496-M498 PolarHBondContact O-N 2.79Å; M498-S502 PolarHBondContact O-OG 3.36Å
499	E	48.1	Very low	44.3	Very low	97 Å²	97	81.7 Å²	81.7	45%	0.453	44%	0.44	S	S	.	.	H	α-helix	trans	-67.1	-45	171.1	-70.6	145	-145.6	0	0	110.9	S495 S496 D501 S502 E503	S495-E499 VanDerWaalsContact C-CD 3.49Å; S495-E499 WeakPolarHBondContact CB-OE1 3.49Å; S495-E499 VanDerWaalsContact O-CD 3.25Å; S495-E499 WeakPolarHBondContact O-CG 3.43Å; S495-E499 PolarHBondContact O-N 3.39Å; S495-E499 VanDerWaalsContact O-OE1 3.12Å; S496-E499 WeakPolarHBondContact CA-OE2 3.26Å; S496-E499 PolarHBondContact O-N 2.9Å; E499-D501 PolarHBondContact O-N 3.22Å; E499-S502 WeakPolarHBondContact O-CB 3.17Å; E499-S502 PolarHBondContact O-N 2.82Å; E499-E503 PolarHBondContact O-N 3.26Å
500	A	49.1	Very low	43.2	Very low	62 Å²	62	81 Å²	81	51%	0.512	45%	0.448	S	S	.	.	H	α-helix	trans	-59.1	-35.9	-173.3	0	0	0	0	0	115.5	S496	S496-A500 WeakPolarHBondContact O-CB 3.41Å; S496-A500 PolarHBondContact O-N 3.09Å
501	D	43.4	Very low	42.3	Very low	56 Å²	56	90.3 Å²	90.3	30%	0.299	49%	0.492	S	S	.	.	H	α-helix	trans	-84.1	-25.8	175.9	-74.9	-38.8	0	0	0	112.3	E499 E503 S504 L594	E499-D501 PolarHBondContact O-N 3.22Å; D501-E503 VanDerWaalsContact C-N 3.35Å; D501-E503 PolarHBondContact O-N 2.96Å; D501-S504 WeakPolarHBondContact O-CB 3.13Å; D501-S504 PolarHBondContact O-N 3.49Å; D501-S504 PolarHBondContact O-OG 3.01Å; D501-L594 HydrophobicContact CB-CD2 4.37Å; D501-L594 WeakPolarHBondContact OD2-CD1 3.43Å; D501-L594 WeakPolarHBondContact OD2-CD2 3.42Å
502	S	37.9	Very low	41.3	Very low	60 Å²	60	98.6 Å²	98.6	42%	0.42	53%	0.53	S	S	.	.	H	α-helix	trans	-64.5	-36.2	-178.8	-64.1	0	0	0	0	112.7	M498 E499 S504 L506	M498-S502 PolarHBondContact O-OG 3.36Å; E499-S502 WeakPolarHBondContact O-CB 3.17Å; E499-S502 PolarHBondContact O-N 2.82Å; S502-S504 VanDerWaalsContact C-N 3.29Å; S502-L506 VanDerWaalsContact O-CD1 3.26Å; S502-L506 WeakPolarHBondContact O-CD1 3.35Å
503	E	38.7	Very low	40.4	Very low	149 Å²	149	102.9 Å²	102.9	70%	0.696	54%	0.54	S	S	*	.	H	α-helix	trans	-71.1	-25.7	174.1	-59.2	-166.4	138.2	0	0	112.6	E499 D501 E505	E499-E503 PolarHBondContact O-N 3.26Å; D501-E503 VanDerWaalsContact C-N 3.35Å; D501-E503 PolarHBondContact O-N 2.96Å; E503-E505 PolarHBondContact O-N 3.31Å
504	S	39.2	Very low	39.8	Very low	67 Å²	67	104.8 Å²	104.8	47%	0.469	56%	0.559	S	S	.	*	H	α-helix	trans	-74.1	-25.2	-174.3	83.2	0	0	0	0	114	D501 S502	D501-S504 WeakPolarHBondContact O-CB 3.13Å; D501-S504 PolarHBondContact O-N 3.49Å; D501-S504 PolarHBondContact O-OG 3.01Å; S502-S504 VanDerWaalsContact C-N 3.29Å
505	E	37.1	Very low	39.2	Very low	156 Å²	156	111.4 Å²	111.4	73%	0.729	59%	0.594	S	S	*	*	H	α-helix	trans	-83.4	-37.6	177.6	-65.4	-156.6	128.9	0	0	113	E503 Q507 R508	E503-E505 PolarHBondContact O-N 3.31Å; E505-Q507 PolarHBondContact O-N 3.16Å; E505-R508 PolarHBondContact O-N 3.29Å
506	L	40.6	Very low	38.6	Very low	111 Å²	111	116.9 Å²	116.9	58%	0.581	62%	0.617	S	S	*	*	H	α-helix	trans	-68.1	-35.7	-177.1	-83.9	98.4	0	0	0	113	S502 R508	S502-L506 VanDerWaalsContact O-CD1 3.26Å; S502-L506 WeakPolarHBondContact O-CD1 3.35Å; L506-R508 PolarHBondContact O-N 3.3Å; L506-R508 VanDerWaalsContact O-N 3.13Å
507	Q	40.4	Very low	38	Very low	159 Å²	159	121.5 Å²	121.5	74%	0.743	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-10.6	179.5	-109.8	65.4	-2.2	0	0	114	E505	E505-Q507 PolarHBondContact O-N 3.16Å
508	R	38.5	Very low	37.5	Very low	224 Å²	224	123.3 Å²	123.3	85%	0.845	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-11.4	-167.7	-143	172.6	-169	-130.1	-3.2	116	E505 L506	E505-R508 PolarHBondContact O-N 3.29Å; L506-R508 PolarHBondContact O-N 3.3Å; L506-R508 VanDerWaalsContact O-N 3.13Å
509	N	37.1	Very low	37	Very low	165 Å²	165	129.4 Å²	129.4	88%	0.882	68%	0.677	S	S	*	*	S	Bend	trans	-112	15	-179.4	-82.2	-12.7	0	0	0	113.7
510	G	33.6	Very low	36.2	Very low	63 Å²	63	131.3 Å²	131.3	65%	0.649	69%	0.689	S	S	*	*			trans	-114.4	15.4	-164.3	0	0	0	0	0	118
511	Q	35.5	Very low	35.5	Very low	198 Å²	198	133.3 Å²	133.3	93%	0.925	70%	0.699	S	S	*	*			trans	-113.2	117.1	179.1	-70.2	-170.8	-18.6	0	0	111.8
512	H	30.3	Very low	34.9	Very low	181 Å²	181	137.4 Å²	137.4	84%	0.838	72%	0.721	S	S	*	*			trans	-103.4	158.7	-164.3	-169.7	-84.4	0	0	0	111.7
513	L	29.2	Very low	34.6	Very low	143 Å²	143	142.5 Å²	142.5	75%	0.749	74%	0.743	S	S	*	*			trans	-71.4	169	172.3	-76.7	91.2	0	0	0	111.9
514	P	36	Very low	34.3	Very low	114 Å²	114	139 Å²	139	74%	0.74	75%	0.747	S	S	*	*				-138.8	160.6	104.5	37.9	-26.6	0	0	0	115.9
515	D	32.1	Very low	33.9	Very low	143 Å²	143	142 Å²	142	77%	0.765	76%	0.763	S	S	*	*			trans	-0.7	140	156.2	-55.2	-44.2	0	0	0	120.3
516	M	30.9	Very low	33.7	Very low	156 Å²	156	141 Å²	141	77%	0.768	76%	0.763	S	S	*	*			cis	103.7	143.6	32.4	-79.4	-69.9	160.3	0	0	114.4
517	H	31.7	Very low	33.4	Very low	162 Å²	162	142 Å²	142	75%	0.75	77%	0.768	S	S	*	*			trans	67.3	110.4	-180	-59.1	-68.8	0	0	0	116.3
518	S	32.7	Very low	33	Very low	95 Å²	95	141.6 Å²	141.6	66%	0.664	77%	0.771	S	S	*	*				94.9	141	105.2	-74.4	0	0	0	0	111.9
519	E	34.2	Very low	32.8	Very low	156 Å²	156	141.1 Å²	141.1	73%	0.729	77%	0.769	S	S	*	*			cis	-156.5	157.7	9.8	-123.9	161.9	-139.3	0	0	111.7
520	L	32.5	Very low	32.7	Very low	138 Å²	138	138 Å²	138	72%	0.723	76%	0.761	S	S	*	*			trans	46	128.2	147.4	-68	161.5	0	0	0	122.4
521	S	34.1	Very low	33.2	Very low	103 Å²	103	142.8 Å²	142.8	72%	0.72	77%	0.766	S	S	*	*			trans	70.7	148.5	143.6	-61.2	0	0	0	0	119.1
522	N	30.3	Very low	33.2	Very low	143 Å²	143	142 Å²	142	77%	0.765	76%	0.762	S	S	*	*			cis	-163.8	-177.1	-29.9	-135.9	-17.3	0	0	0	107.7
523	L	31.2	Very low	33.4	Very low	167 Å²	167	142.7 Å²	142.7	87%	0.874	76%	0.757	S	S	*	*			trans	-46.9	137	178.4	-66.6	72.9	0	0	0	114.3
524	G	32.9	Very low	33.8	Very low	76 Å²	76	143.3 Å²	143.3	78%	0.784	76%	0.756	S	S	*	*			trans	-166.6	105.1	170.2	0	0	0	0	0	112.6
525	T	30.5	Very low	33.8	Very low	130 Å²	130	141.6 Å²	141.6	80%	0.798	76%	0.76	S	S	*	*			trans	-75.6	167	170.9	-40.3	0	0	0	0	110.6
526	D	33.1	Very low	33.9	Very low	135 Å²	135	139.9 Å²	139.9	72%	0.722	76%	0.759	S	S	*	*			trans	91.2	135.9	156.4	-75.2	-27.9	0	0	0	122
527	N	34	Very low	34.4	Very low	130 Å²	130	136.8 Å²	136.8	70%	0.695	75%	0.752	S	S	*	*			trans	71.6	98.8	146	-72.6	-46	0	0	0	122
528	N	33.4	Very low	34.9	Very low	151 Å²	151	136.4 Å²	136.4	81%	0.807	75%	0.751	S	S	*	*				54.2	102.8	118.7	-91.2	-38.6	0	0	0	118.7	S530	N528-S530 PolarHBondContact O-N 2.9Å
529	R	33.4	Very low	35.1	Very low	215 Å²	215	137.5 Å²	137.5	81%	0.811	75%	0.749	S	S	*	*			trans	-64.2	114.5	164	179.6	-178.4	179.1	-166.5	1.6	110.9
530	S	35.1	Very low	35.3	Very low	100 Å²	100	139.7 Å²	139.7	70%	0.699	75%	0.751	S	S	*	*			trans	-69.1	136.9	171.6	49.2	0	0	0	0	112.1	N528	N528-S530 PolarHBondContact O-N 2.9Å
531	Q	43.3	Very low	35.6	Very low	162 Å²	162	141 Å²	141	76%	0.757	75%	0.753	S	S	*	*			trans	-137.8	88.8	160.6	-75.2	-162.2	-40.7	0	0	109.7
532	H	35.5	Very low	35.7	Very low	182 Å²	182	139.4 Å²	139.4	84%	0.843	75%	0.747	S	S	*	*			trans	-82.8	124.5	161.6	-85.3	-97.1	0	0	0	109.3
533	R	36.1	Very low	36.1	Very low	196 Å²	196	142.3 Å²	142.3	74%	0.74	76%	0.755	S	S	*	*				-180	128.1	110.8	-100.7	174.6	169.4	-96.8	-9.7	113.2
534	E	37.3	Very low	36.6	Very low	155 Å²	155	137.9 Å²	137.9	72%	0.724	75%	0.75	S	S	*	*			trans	64.4	150.8	139.3	-64.4	158.2	152.8	0	0	120
535	G	36.1	Very low	36.9	Very low	79 Å²	79	141.4 Å²	141.4	81%	0.814	75%	0.751	S	S	*	*			trans	124.4	37.8	162.5	0	0	0	0	0	119.7
536	S	34.5	Very low	37.4	Very low	106 Å²	106	139.9 Å²	139.9	74%	0.741	75%	0.746	S	S	*	*			trans	-36.7	154.6	173.1	-178	0	0	0	0	118.3
537	S	39.9	Very low	37.8	Very low	91 Å²	91	138.8 Å²	138.8	64%	0.636	74%	0.744	S	S	*	*			trans	69.1	144.5	150	34.7	0	0	0	0	119.2
538	Q	42.4	Very low	38	Very low	155 Å²	155	140.5 Å²	140.5	72%	0.724	75%	0.748	S	S	*	*			cis	-162.8	163.8	-10	-129.7	170.3	-96.7	0	0	111.4
539	D	36.6	Very low	38.5	Very low	117 Å²	117	139.5 Å²	139.5	63%	0.626	74%	0.74	S	S	*	*			trans	62.8	162.1	153.1	-63.9	-35.1	0	0	0	121
540	R	38.7	Very low	38.7	Very low	202 Å²	202	136.5 Å²	136.5	76%	0.762	74%	0.735	S	S	*	*				-176.8	153.9	-51.5	-116.9	-179.5	173.8	-171.4	-0.7	109.2
541	Q	39.2	Very low	38.7	Very low	166 Å²	166	134.4 Å²	134.4	78%	0.776	73%	0.729	S	S	*	*			trans	65.9	161.5	156.8	-69.2	162	-103.6	0	0	118.2
542	A	35.4	Very low	38.3	Very low	70 Å²	70	134 Å²	134	58%	0.579	73%	0.727	S	S	*	*			cis	-170.8	148.8	-33.9	0	0	0	0	0	111.5
543	Q	40.5	Very low	38.2	Very low	203 Å²	203	132.3 Å²	132.3	95%	0.949	72%	0.724	S	S	*	*			trans	62.1	148.1	147.3	-72.8	174.6	-51.6	0	0	122
544	G	40.7	Very low	38.2	Very low	75 Å²	75	130.9 Å²	130.9	77%	0.773	73%	0.726	S	S	*	*			trans	114.1	130.5	163.7	0	0	0	0	0	114.2
545	D	39	Very low	38	Very low	150 Å²	150	128.5 Å²	128.5	80%	0.802	72%	0.722	S	S	*	*			cis	-160.6	153.1	-16.6	-159	-6.7	0	0	0	110
546	S	41.1	Very low	37.9	Very low	97 Å²	97	130.9 Å²	130.9	68%	0.678	72%	0.721	S	S	*	*			trans	44.4	150.9	150.9	-69	0	0	0	0	123.6
547	T	40.6	Very low	37.9	Very low	112 Å²	112	133.2 Å²	133.2	69%	0.687	72%	0.72	S	S	*	*			cis	-166	171.4	-29.6	-52.9	0	0	0	0	106.4
548	E	39.3	Very low	37.6	Very low	166 Å²	166	133.7 Å²	133.7	78%	0.776	72%	0.721	S	S	*	*			trans	77.8	134.9	158.8	-59.1	-160.5	-179.5	0	0	118.2
549	M	43	Very low	37	Very low	130 Å²	130	133.7 Å²	133.7	64%	0.64	72%	0.721	S	S	*	*			cis	-156.9	138.8	-4.5	-108.7	-66.4	-127.2	0	0	110.3
550	H	38.4	Very low	36.9	Very low	153 Å²	153	134.7 Å²	134.7	71%	0.708	73%	0.732	S	S	*	*			trans	44.4	148.3	163.4	-62.7	-48.3	0	0	0	120.8	E552	H550-E552 IonicContact ND1-OE1 3.56Å
551	G	35.2	Very low	36.5	Very low	55 Å²	55	135.5 Å²	135.5	57%	0.567	73%	0.734	S	S	*	*			cis	159.1	118.4	0.3	0	0	0	0	0	107.1
552	E	34.2	Very low	36	Very low	153 Å²	153	133.9 Å²	133.9	72%	0.715	73%	0.731	S	S	*	*				65.4	139.5	69.6	92	-160.1	113	0	0	112.7	H550	H550-E552 IonicContact ND1-OE1 3.56Å
553	N	33.8	Very low	35.7	Very low	148 Å²	148	135.4 Å²	135.4	79%	0.791	74%	0.738	S	S	*	*			cis	-166.9	176.6	-20.7	-110.4	-27.9	0	0	0	106.7
554	E	36.1	Very low	35.4	Very low	165 Å²	165	132.9 Å²	132.9	77%	0.771	73%	0.731	S	S	*	*				154.6	110.4	129.6	-76.5	-127.1	77.3	0	0	111
555	T	33	Very low	35	Very low	105 Å²	105	134.6 Å²	134.6	64%	0.644	73%	0.731	S	S	*	*				74.4	106.2	90.8	-46.7	0	0	0	0	110.6
556	T	35.4	Very low	34.7	Very low	130 Å²	130	139.5 Å²	139.5	80%	0.798	74%	0.738	S	S	*	*				-156.6	124.2	72.9	-58.1	0	0	0	0	112.8
557	Q	33.1	Very low	34.1	Very low	154 Å²	154	139 Å²	139	72%	0.72	75%	0.748	S	S	*	*			trans	-94.7	163.6	156.7	-119.5	-170.3	85.3	0	0	107.9
558	P	34.4	Very low	33.6	Very low	102 Å²	102	137 Å²	137	66%	0.662	75%	0.75	S	S	*	*				-160.8	158.4	64.5	42.3	-20.2	0	0	0	120.7
559	H	29.9	Very low	33.3	Very low	155 Å²	155	140.6 Å²	140.6	72%	0.718	76%	0.756	S	S	*	*			trans	61.2	153.7	134.6	-66.9	-31.5	0	0	0	126
560	T	33.8	Very low	32.8	Very low	138 Å²	138	143.3 Å²	143.3	85%	0.847	77%	0.768	S	S	*	*			trans	68.6	153.4	164.7	75.9	0	0	0	0	120.1
561	R	29.9	Very low	32.5	Very low	218 Å²	218	143.8 Å²	143.8	82%	0.823	77%	0.774	S	S	*	*				-167.9	150.1	-51.8	-140	-169.5	171.2	167.2	-2.7	108.5
562	N	29.4	Very low	32.4	Very low	132 Å²	132	152.3 Å²	152.3	71%	0.706	79%	0.79	S	S	*	*			trans	69.3	142	162.7	-57.4	-2.8	0	0	0	119.2
563	S	29.6	Very low	32.4	Very low	102 Å²	102	149.9 Å²	149.9	71%	0.713	78%	0.781	S	S	*	*			trans	45.7	138.1	147.4	-91.4	0	0	0	0	121.5
564	D	32.9	Very low	32.5	Very low	150 Å²	150	146.7 Å²	146.7	80%	0.802	77%	0.769	S	S	*	*			cis	-150.6	169.2	27	-96.7	-36.7	0	0	0	115.1
565	S	32.8	Very low	32.5	Very low	111 Å²	111	143.9 Å²	143.9	78%	0.776	76%	0.759	S	S	*	*			trans	-60.6	128.8	178.8	-56.8	0	0	0	0	115.4
566	R	33	Very low	32.7	Very low	253 Å²	253	144.8 Å²	144.8	96%	0.955	76%	0.76	S	S	*	*			trans	-157.9	141	148.5	-107.3	152.4	-158.4	-143.1	2	112
567	G	29.3	Very low	32.9	Very low	86 Å²	86	143 Å²	143	89%	0.887	75%	0.745	S	S	*	*			trans	-74	130.8	-158.9	0	0	0	0	0	116.3
568	G	30.1	Very low	33.3	Very low	71 Å²	71	141 Å²	141	73%	0.732	74%	0.743	S	S	*	*			trans	-94.2	121.8	166.7	0	0	0	0	0	111.9	Q570	G568-Q570 PolarHBondContact O-N 3.11Å
569	R	31.4	Very low	33.7	Very low	241 Å²	241	144.6 Å²	144.6	91%	0.909	75%	0.751	S	S	*	*			trans	-67.3	114.2	170.8	-72.6	-179.5	172.8	-166.8	-2.8	109.6	L571	R569-L571 PolarHBondContact O-N 2.78Å; R569-L571 VanDerWaalsContact O-N 3.17Å
570	Q	32.5	Very low	34.3	Very low	188 Å²	188	141.5 Å²	141.5	88%	0.879	74%	0.743	S	S	*	*			trans	-67.7	111.8	171.5	-67.7	-173.7	4.5	0	0	110.1	G568 R572	G568-Q570 PolarHBondContact O-N 3.11Å; Q570-R572 PolarHBondContact O-N 3.22Å
571	L	32.8	Very low	34.6	Very low	162 Å²	162	136.8 Å²	136.8	85%	0.848	72%	0.722	S	S	*	*			trans	-71.7	108	165.5	-89.5	66.7	0	0	0	108.2	R569 N573	R569-L571 PolarHBondContact O-N 2.78Å; R569-L571 VanDerWaalsContact O-N 3.17Å; L571-N573 PolarHBondContact O-N 2.7Å
572	R	33.6	Very low	35.6	Very low	235 Å²	235	128.8 Å²	128.8	89%	0.887	70%	0.697	S	S	*	*			trans	-59.6	118.5	166.7	-90.4	-173.9	168	-177.2	-3.4	108.9	Q570 P574	Q570-R572 PolarHBondContact O-N 3.22Å; R572-P574 WeakPolarHBondContact O-CD 3.38Å
573	N	34.1	Very low	36.6	Very low	101 Å²	101	123 Å²	123	54%	0.54	67%	0.666	S	S	.	*			trans	-67.9	117	178.1	-179.7	4.4	0	0	0	109.9	L571 N575	L571-N573 PolarHBondContact O-N 2.7Å; N573-N575 PolarHBondContact O-N 3.4Å
574	P	36.2	Very low	37.8	Very low	81 Å²	81	120.7 Å²	120.7	53%	0.526	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.6	14.6	-170	33.2	-38.4	0	0	0	114.8	R572 R587	R572-P574 WeakPolarHBondContact O-CD 3.38Å; P574-R587 PolarHBondContact O-NH2 3.47Å
575	N	35.3	Very low	38.7	Very low	107 Å²	107	114.1 Å²	114.1	57%	0.572	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	-25.3	-171.6	-64.3	-10.6	0	0	0	113.7	N573 L577 V578	N573-N575 PolarHBondContact O-N 3.4Å; N575-L577 PolarHBondContact O-N 3.34Å; N575-V578 PolarHBondContact O-N 3.23Å
576	N	36.5	Very low	39.6	Very low	124 Å²	124	109.2 Å²	109.2	66%	0.663	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	9.2	179.6	-84	57.2	0	0	0	114.9
577	L	40.5	Very low	40.6	Very low	93 Å²	93	103.4 Å²	103.4	49%	0.487	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.4	7.6	178.6	-155.4	73.2	0	0	0	113	N575 T580	N575-L577 PolarHBondContact O-N 3.34Å; L577-T580 PolarHBondContact O-OG1 3.36Å
578	V	42.1	Very low	41.8	Very low	110 Å²	110	101.4 Å²	101.4	67%	0.667	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-31.9	172.8	179.6	0	0	0	0	110.8	N575 T580	N575-V578 PolarHBondContact O-N 3.23Å; V578-T580 VanDerWaalsContact C-N 3.27Å; V578-T580 PolarHBondContact O-N 2.98Å
579	E	42.2	Very low	42.8	Very low	179 Å²	179	98.8 Å²	98.8	84%	0.836	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.1	-176.7	-162.4	160.8	-142.6	0	0	113.6	G581	E579-G581 VanDerWaalsContact C-N 3.32Å; E579-G581 PolarHBondContact O-N 2.67Å
580	T	42	Very low	43.7	Very low	89 Å²	89	91 Å²	91	55%	0.546	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	4.7	-177.2	3.4	0	0	0	0	114.5	L577 V578 T582	L577-T580 PolarHBondContact O-OG1 3.36Å; V578-T580 VanDerWaalsContact C-N 3.27Å; V578-T580 PolarHBondContact O-N 2.98Å; T580-T582 VanDerWaalsContact C-N 3.32Å; T580-T582 PolarHBondContact O-N 2.85Å
581	G	40.9	Very low	44.7	Very low	39 Å²	39	88 Å²	88	40%	0.402	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	30.7	173.5	0	0	0	0	0	114.8	Q486 E579	Q486-G581 PolarHBondContact NE2-O 3.49Å; E579-G581 VanDerWaalsContact C-N 3.32Å; E579-G581 PolarHBondContact O-N 2.67Å
582	T	50.1	Low	45.5	Very low	50 Å²	50	83.4 Å²	83.4	31%	0.307	43%	0.428	S	S	.	.			trans	-89.8	134	176	58.8	0	0	0	0	111.3	T580 L586	T580-T582 VanDerWaalsContact C-N 3.32Å; T580-T582 PolarHBondContact O-N 2.85Å; T582-L586 HydrophobicContact CG2-CD1 4.39Å
583	L	50.4	Low	46.4	Very low	11 Å²	11	73.7 Å²	73.7	6%	0.058	39%	0.394	C	S	.	.			trans	-66.4	149.4	-178.1	-78.8	165.4	0	0	0	112	I483 Q486 I487 I585 L586 R587	I483-L583 HydrophobicContact CG2-CD2 4.41Å; Q486-L583 HydrophobicContact CB-CD1 3.97Å; Q486-L583 HydrophobicContact CB-CG 4.3Å; Q486-L583 VanDerWaalsContact CD-CG 3.45Å; Q486-L583 HydrophobicContact CG-CD1 3.8Å; Q486-L583 HydrophobicContact CG-CD2 4.26Å; Q486-L583 HydrophobicContact CG-CG 3.69Å; I487-L583 HydrophobicContact CB-CD1 4.36Å; I487-L583 HydrophobicContact CG1-CD1 3.5Å; L583-I585 HydrophobicContact CB-CB 4.08Å; L583-I585 HydrophobicContact CB-CD1 4.42Å; L583-I585 HydrophobicContact CD1-CD1 4.14Å; L583-I585 PolarHBondContact O-N 3.4Å; L583-L586 HydrophobicContact CB-CG 4.36Å; L583-L586 WeakPolarHBondContact O-CA 3.44Å; L583-L586 WeakPolarHBondContact O-CB 3.48Å; L583-L586 PolarHBondContact O-N 3.45Å; L583-R587 PolarHBondContact O-N 3.41Å; L583-R587 VanDerWaalsContact O-N 3.13Å
584	P	54.4	Low	47	Very low	53 Å²	53	72.6 Å²	72.6	34%	0.344	39%	0.388	S	S	.	.	H	α-helix	trans	-53.8	-21.4	165.5	-26.8	35.4	0	0	0	113.7	I376 R587 L588	I376-P584 HydrophobicContact CD1-CB 4.4Å; I376-P584 HydrophobicContact CG2-CB 4.16Å; I376-P584 HydrophobicContact CG2-CG 4.28Å; P584-R587 PolarHBondContact O-N 3.34Å; P584-L588 WeakPolarHBondContact O-CB 3.44Å; P584-L588 WeakPolarHBondContact O-CD1 3.16Å; P584-L588 VanDerWaalsContact O-CG 3.23Å; P584-L588 WeakPolarHBondContact O-CG 3.48Å; P584-L588 PolarHBondContact O-N 3.01Å
585	I	51.9	Low	47.6	Very low	13 Å²	13	73.8 Å²	73.8	7%	0.067	39%	0.389	C	S	.	.	H	α-helix	trans	-67.8	-39.4	172.7	-66.9	149	0	0	0	111.9	I376 I460 I487 L583 L588 A589	I376-I585 HydrophobicContact CD1-CG1 4.48Å; I460-I585 HydrophobicContact CD1-CB 4.47Å; I460-I585 HydrophobicContact CD1-CD1 3.5Å; I460-I585 VanDerWaalsContact CD1-CD1 3.5Å; I460-I585 HydrophobicContact CD1-CG1 3.76Å; I460-I585 HydrophobicContact CD1-CG2 3.87Å; I487-I585 HydrophobicContact CD1-CD1 3.89Å; I487-I585 HydrophobicContact CG1-CD1 3.92Å; L583-I585 HydrophobicContact CB-CB 4.08Å; L583-I585 HydrophobicContact CB-CD1 4.42Å; L583-I585 HydrophobicContact CD1-CD1 4.14Å; L583-I585 PolarHBondContact O-N 3.4Å; I585-L588 PolarHBondContact O-N 3.44Å; I585-A589 PolarHBondContact O-N 3.48Å
586	L	53	Low	48	Very low	7 Å²	7	72.3 Å²	72.3	4%	0.037	38%	0.379	C	S	.	.	H	α-helix	trans	-70.9	-39.8	173	-56.1	179.2	0	0	0	110.1	G490 F491 L494 T582 L583 L588 A589 H590	G490-L586 WeakPolarHBondContact O-CD1 3.3Å; F491-L586 HydrophobicContact CD1-CD2 4.4Å; F491-L586 HydrophobicContact CE1-CD2 3.76Å; F491-L586 HydrophobicContact CE2-CD2 4.5Å; F491-L586 HydrophobicContact CZ-CD2 3.82Å; L494-L586 HydrophobicContact CD2-CD2 3.94Å; L494-L586 HydrophobicContact CG-CD2 4.18Å; T582-L586 HydrophobicContact CG2-CD1 4.39Å; L583-L586 HydrophobicContact CB-CG 4.36Å; L583-L586 WeakPolarHBondContact O-CA 3.44Å; L583-L586 WeakPolarHBondContact O-CB 3.48Å; L583-L586 PolarHBondContact O-N 3.45Å; L586-L588 VanDerWaalsContact C-N 3.27Å; L586-L588 PolarHBondContact O-N 2.9Å; L586-A589 WeakPolarHBondContact O-CB 3.49Å; L586-A589 PolarHBondContact O-N 3.13Å; L586-A589 VanDerWaalsContact O-N 3.14Å; L586-H590 WeakPolarHBondContact O-CB 3.08Å; L586-H590 PolarHBondContact O-N 3.29Å
587	R	54	Low	48.3	Very low	131 Å²	131	70.3 Å²	70.3	49%	0.494	38%	0.375	S	S	.	.	H	α-helix	trans	-61.2	-34	172	-159	175.7	-166.7	156.6	10.1	112.7	P574 L583 P584 F591	P574-R587 PolarHBondContact O-NH2 3.47Å; L583-R587 PolarHBondContact O-N 3.41Å; L583-R587 VanDerWaalsContact O-N 3.13Å; P584-R587 PolarHBondContact O-N 3.34Å; R587-F591 WeakPolarHBondContact O-CB 3.44Å; R587-F591 PolarHBondContact O-N 3.13Å
588	L	54.6	Low	48.5	Very low	44 Å²	44	73.4 Å²	73.4	23%	0.23	39%	0.392	C	S	.	.	H	α-helix	trans	-73.5	-39.9	172.4	-79	160.2	0	0	0	111.9	I376 L401 P584 I585 L586 F591 F592	I376-L588 HydrophobicContact CD1-CD1 3.76Å; L401-L588 HydrophobicContact CD2-CD1 3.66Å; P584-L588 WeakPolarHBondContact O-CB 3.44Å; P584-L588 WeakPolarHBondContact O-CD1 3.16Å; P584-L588 VanDerWaalsContact O-CG 3.23Å; P584-L588 WeakPolarHBondContact O-CG 3.48Å; P584-L588 PolarHBondContact O-N 3.01Å; I585-L588 PolarHBondContact O-N 3.44Å; L586-L588 VanDerWaalsContact C-N 3.27Å; L586-L588 PolarHBondContact O-N 2.9Å; L588-F591 WeakPolarHBondContact O-CB 3.5Å; L588-F591 PolarHBondContact O-N 3.19Å; L588-F592 WeakPolarHBondContact O-CD2 3.49Å; L588-F592 PolarHBondContact O-N 2.85Å; L588-F592 VanDerWaalsContact O-N 3.09Å
589	A	50.1	Low	48.6	Very low	17 Å²	17	71.1 Å²	71.1	14%	0.14	38%	0.376	C	S	.	.	H	α-helix	trans	-58.6	-51.6	171.5	0	0	0	0	0	110.5	I585 L586 F591 F592 L593	I585-A589 PolarHBondContact O-N 3.48Å; L586-A589 WeakPolarHBondContact O-CB 3.49Å; L586-A589 PolarHBondContact O-N 3.13Å; L586-A589 VanDerWaalsContact O-N 3.14Å; A589-F591 VanDerWaalsContact C-N 3.27Å; A589-F591 PolarHBondContact O-N 2.67Å; A589-F592 CarbonylContact O-C 3.56Å; A589-F592 WeakPolarHBondContact O-CA 3.31Å; A589-F592 PolarHBondContact O-N 3.36Å; A589-L593 HydrophobicContact CB-CD1 4.02Å; A589-L593 VanDerWaalsContact O-CB 3.29Å; A589-L593 WeakPolarHBondContact O-CB 3.38Å; A589-L593 WeakPolarHBondContact O-CG 3.23Å; A589-L593 PolarHBondContact O-N 3Å
590	H	50.1	Low	48.8	Very low	76 Å²	76	66.2 Å²	66.2	35%	0.352	36%	0.356	S	S	.	.	H	α-helix	trans	-52.5	-41.1	172.5	-178.1	-28.2	0	0	0	112.5	L586 F592 L593 L594	L586-H590 WeakPolarHBondContact O-CB 3.08Å; L586-H590 PolarHBondContact O-N 3.29Å; H590-F592 VanDerWaalsContact C-N 3.29Å; H590-F592 PolarHBondContact O-N 2.89Å; H590-L593 PolarHBondContact O-N 3.42Å; H590-L594 HydrophobicContact CB-CD1 4.39Å; H590-L594 WeakPolarHBondContact ND1-CD1 3.5Å; H590-L594 PolarHBondContact O-N 2.82Å
591	F	53.3	Low	49.1	Very low	125 Å²	125	68 Å²	68	55%	0.548	36%	0.362	S	S	.	.	H	α-helix	trans	-66.5	-25.9	175.4	-177.1	-92.8	0	0	0	113.7	R587 L588 A589 N595	R587-F591 WeakPolarHBondContact O-CB 3.44Å; R587-F591 PolarHBondContact O-N 3.13Å; L588-F591 WeakPolarHBondContact O-CB 3.5Å; L588-F591 PolarHBondContact O-N 3.19Å; A589-F591 VanDerWaalsContact C-N 3.27Å; A589-F591 PolarHBondContact O-N 2.67Å; F591-N595 WeakPolarHBondContact CD2-ND2 3.37Å; F591-N595 PolarHBondContact O-ND2 3.45Å
592	F	51	Low	49.6	Very low	66 Å²	66	73.9 Å²	73.9	29%	0.289	37%	0.372	S	S	.	.	H	α-helix	trans	-94.8	-16.6	174.3	-70.7	-64.4	0	0	0	114.3	L372 V403 L588 A589 H590	L372-F592 HydrophobicContact CD1-CZ 4.4Å; V403-F592 HydrophobicContact CB-CD2 4.3Å; V403-F592 HydrophobicContact CB-CE2 3.82Å; V403-F592 HydrophobicContact CB-CZ 4.22Å; V403-F592 HydrophobicContact CG1-CD2 3.67Å; V403-F592 HydrophobicContact CG1-CE2 3.7Å; V403-F592 HydrophobicContact CG1-CG 4.23Å; V403-F592 HydrophobicContact CG1-CZ 4.27Å; V403-F592 HydrophobicContact CG2-CD2 4.47Å; V403-F592 HydrophobicContact CG2-CE2 3.94Å; L588-F592 WeakPolarHBondContact O-CD2 3.49Å; L588-F592 PolarHBondContact O-N 2.85Å; L588-F592 VanDerWaalsContact O-N 3.09Å; A589-F592 CarbonylContact O-C 3.56Å; A589-F592 WeakPolarHBondContact O-CA 3.31Å; A589-F592 PolarHBondContact O-N 3.36Å; H590-F592 VanDerWaalsContact C-N 3.29Å; H590-F592 PolarHBondContact O-N 2.89Å
593	L	51.4	Low	49.8	Very low	32 Å²	32	77 Å²	77	17%	0.168	39%	0.386	C	S	.	.	H	α-helix	trans	-104.8	-30.4	-173.5	-69.4	168.7	0	0	0	114.3	I153 Y456 A589 H590	I153-L593 HydrophobicContact CD1-CD1 3.8Å; I153-L593 HydrophobicContact CD1-CD2 4.13Å; I153-L593 HydrophobicContact CG2-CD2 4.46Å; Y456-L593 HydrophobicContact CD2-CD2 3.77Å; Y456-L593 HydrophobicContact CE2-CD2 4.08Å; Y456-L593 HydrophobicContact CG-CD2 4.26Å; A589-L593 HydrophobicContact CB-CD1 4.02Å; A589-L593 VanDerWaalsContact O-CB 3.29Å; A589-L593 WeakPolarHBondContact O-CB 3.38Å; A589-L593 WeakPolarHBondContact O-CG 3.23Å; A589-L593 PolarHBondContact O-N 3Å; H590-L593 PolarHBondContact O-N 3.42Å
594	L	47.4	Very low	50.4	Low	78 Å²	78	84.9 Å²	84.9	41%	0.408	41%	0.414	S	S	.	.	S	Bend	trans	-119.3	11.2	-169.1	-67.2	161	0	0	0	113.6	D501 H590 E596	D501-L594 HydrophobicContact CB-CD2 4.37Å; D501-L594 WeakPolarHBondContact OD2-CD1 3.43Å; D501-L594 WeakPolarHBondContact OD2-CD2 3.42Å; H590-L594 HydrophobicContact CB-CD1 4.39Å; H590-L594 WeakPolarHBondContact ND1-CD1 3.5Å; H590-L594 PolarHBondContact O-N 2.82Å; L594-E596 PolarHBondContact O-N 3.29Å
595	N	48.5	Very low	51.6	Low	105 Å²	105	83 Å²	83	56%	0.561	40%	0.404	S	S	*	.			trans	-92.1	34.9	164.9	-75.2	-49	0	0	0	111.1	F591 S597	F591-N595 WeakPolarHBondContact CD2-ND2 3.37Å; F591-N595 PolarHBondContact O-ND2 3.45Å; N595-S597 VanDerWaalsContact C-N 3.3Å; N595-S597 PolarHBondContact O-N 3.02Å
596	E	44.4	Very low	53.1	Low	76 Å²	76	83.1 Å²	83.1	36%	0.355	41%	0.405	S	S	.	.			trans	-89.6	50.9	-178.9	-63.2	-141.7	162.4	0	0	112.9	H157 R454 Y456 L594	H157-E596 IonicContact NE2-OE2 3.99Å; R454-E596 WeakPolarHBondContact CD-OE1 3.3Å; R454-E596 IonicContact CZ-OE1 2.67Å; R454-E596 IonicContact CZ-OE2 3.81Å; R454-E596 IonicContact NH1-OE1 3.46Å; R454-E596 PolarHBondContact NH1-OE1 2.83Å; R454-E596 IonicContact NH1-OE2 3.53Å; R454-E596 PolarHBondContact NH1-OE2 3.41Å; Y456-E596 PolarHBondContact OH-OE1 2.78Å; L594-E596 PolarHBondContact O-N 3.29Å
597	S	41.9	Very low	54.7	Low	82 Å²	82	85.7 Å²	85.7	57%	0.573	42%	0.421	S	S	*	.	S	Bend	trans	-103.7	98.5	168.5	64.8	0	0	0	0	111.3	N595 D599	N595-S597 VanDerWaalsContact C-N 3.3Å; N595-S597 PolarHBondContact O-N 3.02Å; S597-D599 PolarHBondContact O-N 3.4Å
598	D	45	Very low	56.3	Low	159 Å²	159	86.7 Å²	86.7	85%	0.85	43%	0.429	S	S	*	.	S	Bend	trans	54.4	-6.1	160.9	-56.2	-41.1	0	0	0	120.8	D600	D598-D600 PolarHBondContact O-N 3.37Å
599	D	44.9	Very low	58	Low	62 Å²	62	91.7 Å²	91.7	33%	0.332	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-87.8	14.1	-166.4	-91.8	7.1	0	0	0	116.6	S597 D601 R602 I603	S597-D599 PolarHBondContact O-N 3.4Å; D599-D601 PolarHBondContact O-N 3.19Å; D599-D601 VanDerWaalsContact O-N 3.11Å; D599-R602 HydrophobicContact CB-CB 4.02Å; D599-R602 HydrophobicContact CB-CG 4.5Å; D599-R602 PolarHBondContact O-N 3.22Å; D599-R602 WeakPolarHBondContact OD1-CD 3.27Å; D599-R602 WeakPolarHBondContact OD1-CG 3.49Å; D599-R602 IonicContact OD1-CZ 3.49Å; D599-R602 VanDerWaalsContact OD1-CZ 3.31Å; D599-R602 IonicContact OD1-NE 2.85Å; D599-R602 PolarHBondContact OD1-NE 3.19Å; D599-R602 IonicContact OD1-NH1 3.6Å; D599-R602 PolarHBondContact OD1-NH1 2.83Å; D599-R602 IonicContact OD2-NH1 2.8Å; D599-I603 WeakPolarHBondContact O-CG1 3.34Å; D599-I603 PolarHBondContact O-N 2.97Å; D599-I603 VanDerWaalsContact O-N 3.16Å
600	D	45.5	Very low	59.9	Low	76 Å²	76	94.4 Å²	94.4	41%	0.406	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-64.9	-13.4	172.8	-128.6	5.8	0	0	0	111.4	R405 R407 R454 D598	R405-D600 IonicContact CZ-OD1 2.74Å; R405-D600 IonicContact CZ-OD2 3.86Å; R405-D600 IonicContact NH1-OD1 2.74Å; R405-D600 PolarHBondContact NH1-OD1 2.86Å; R405-D600 IonicContact NH1-OD2 3.78Å; R405-D600 IonicContact NH2-OD1 3.81Å; R405-D600 PolarHBondContact NH2-OD1 3.25Å; R405-D600 IonicContact NH2-OD2 3.88Å; R405-D600 PolarHBondContact NH2-OD2 2.94Å; R407-D600 IonicContact NH2-OD1 3.61Å; R454-D600 IonicContact CZ-OD2 3.74Å; R454-D600 IonicContact NH2-OD2 2.85Å; R454-D600 PolarHBondContact NH2-OD2 2.71Å; D598-D600 PolarHBondContact O-N 3.37Å
601	D	49.3	Very low	61.8	Low	126 Å²	126	91.1 Å²	91.1	67%	0.674	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-90.2	-21.2	166.9	-111.3	-39.9	0	0	0	114.3	D599 R604	D599-D601 PolarHBondContact O-N 3.19Å; D599-D601 VanDerWaalsContact O-N 3.11Å; D601-R604 IonicContact OD1-NH1 3.1Å
602	R	50.8	Low	63.6	Low	163 Å²	163	88.5 Å²	88.5	62%	0.615	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-17.5	-178.2	-67.8	-153.7	-171.4	120.1	-4.2	115	D599 R604	D599-R602 HydrophobicContact CB-CB 4.02Å; D599-R602 HydrophobicContact CB-CG 4.5Å; D599-R602 PolarHBondContact O-N 3.22Å; D599-R602 WeakPolarHBondContact OD1-CD 3.27Å; D599-R602 WeakPolarHBondContact OD1-CG 3.49Å; D599-R602 IonicContact OD1-CZ 3.49Å; D599-R602 VanDerWaalsContact OD1-CZ 3.31Å; D599-R602 IonicContact OD1-NE 2.85Å; D599-R602 PolarHBondContact OD1-NE 3.19Å; D599-R602 IonicContact OD1-NH1 3.6Å; D599-R602 PolarHBondContact OD1-NH1 2.83Å; D599-R602 IonicContact OD2-NH1 2.8Å; R602-R604 PolarHBondContact O-N 2.78Å
603	I	53.5	Low	65.5	Low	116 Å²	116	92.1 Å²	92.1	60%	0.595	46%	0.46	S	S	*	.	S	Bend	trans	-78.6	4	172.7	-54	167.3	0	0	0	111.1	D599 G605	D599-I603 WeakPolarHBondContact O-CG1 3.34Å; D599-I603 PolarHBondContact O-N 2.97Å; D599-I603 VanDerWaalsContact O-N 3.16Å; I603-G605 PolarHBondContact O-N 2.8Å
604	R	63.9	Low	67.4	Low	176 Å²	176	91.5 Å²	91.5	66%	0.664	46%	0.457	S	S	*	.	S	Bend	trans	-75.3	110.3	163.2	-160.9	172.6	78.7	-133	7.9	109.3	D601 R602	D601-R604 IonicContact OD1-NH1 3.1Å; R602-R604 PolarHBondContact O-N 2.78Å
605	G	78.5	Confident	69.5	Low	13 Å²	13	91 Å²	91	13%	0.134	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-55.7	161.9	169.5	0	0	0	0	0	112.5	I603 L663	I603-G605 PolarHBondContact O-N 2.8Å; G605-L663 CarbonylContact C-O 3.48Å; G605-L663 VanDerWaalsContact CA-O 3.27Å; G605-L663 WeakPolarHBondContact CA-O 3.23Å
606	L	84.7	Confident	71.6	Confident	16 Å²	16	89.7 Å²	89.7	8%	0.084	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-61.8	146.4	179.4	-60.2	-170.3	0	0	0	111	Q610 I611 L663 C667 V676 L677	L606-Q610 HydrophobicContact CB-CB 4.08Å; L606-I611 HydrophobicContact CB-CD1 4.17Å; L606-I611 HydrophobicContact CB-CG1 3.66Å; L606-I611 HydrophobicContact CD1-CG1 4.46Å; L606-L663 HydrophobicContact CD1-CD1 4.36Å; L606-L663 HydrophobicContact CD1-CD2 4.32Å; L606-L663 PolarHBondContact N-O 2.83Å; L606-C667 HydrophobicContact CD2-CB 4.15Å; L606-V676 HydrophobicContact CD1-CB 4.05Å; L606-V676 HydrophobicContact CD1-CG1 3.83Å; L606-L677 HydrophobicContact CD1-CG 4.34Å; L606-L677 HydrophobicContact CD2-CD1 3.68Å; L606-L677 HydrophobicContact CD2-CG 3.87Å
607	T	86.8	Confident	73.7	Confident	60 Å²	60	89.8 Å²	89.8	37%	0.368	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-63.9	153.3	173.1	74.9	0	0	0	0	109.8	E609 Q610 I611	T607-E609 PolarHBondContact O-N 2.81Å; T607-E609 VanDerWaalsContact O-N 3.13Å; T607-Q610 WeakPolarHBondContact O-CB 3.1Å; T607-Q610 PolarHBondContact O-N 2.95Å; T607-Q610 WeakPolarHBondContact OG1-CG 3.21Å; T607-Q610 PolarHBondContact OG1-N 2.81Å; T607-I611 WeakPolarHBondContact O-CG1 3.22Å; T607-I611 PolarHBondContact O-N 3.37Å
608	K	87.8	Confident	76	Confident	153 Å²	153	90.6 Å²	90.6	67%	0.665	45%	0.448	S	S	*	.	H	α-helix	trans	-54.4	-36.3	178.3	-171.2	-177.9	177.7	-75	0	112	I611 D612	K608-I611 PolarHBondContact O-N 3.18Å; K608-D612 IonicContact NZ-OD2 2.74Å; K608-D612 PolarHBondContact NZ-OD2 2.65Å; K608-D612 VanDerWaalsContact O-CB 3.31Å; K608-D612 WeakPolarHBondContact O-CB 3.4Å; K608-D612 PolarHBondContact O-N 3Å
609	E	89.2	Confident	78.1	Confident	149 Å²	149	84 Å²	84	70%	0.696	41%	0.411	S	S	*	.	H	α-helix	trans	-65.8	-44.5	175.8	-64.9	163.4	-173.3	0	0	112.2	T607 I611 D612 N613	T607-E609 PolarHBondContact O-N 2.81Å; T607-E609 VanDerWaalsContact O-N 3.13Å; E609-I611 VanDerWaalsContact C-N 3.28Å; E609-I611 PolarHBondContact O-N 2.96Å; E609-D612 PolarHBondContact O-N 2.88Å; E609-N613 WeakPolarHBondContact O-CB 3.16Å; E609-N613 PolarHBondContact O-N 3.34Å; E609-N613 PolarHBondContact O-ND2 3.25Å; E609-N613 VanDerWaalsContact O-ND2 3.14Å
610	Q	89.1	Confident	79.8	Confident	73 Å²	73	87.7 Å²	87.7	34%	0.341	43%	0.426	S	S	.	.	H	α-helix	trans	-61.4	-36.4	174.2	-73.3	170.1	-23.7	0	0	112.2	L606 T607 L677	L606-Q610 HydrophobicContact CB-CB 4.08Å; T607-Q610 WeakPolarHBondContact O-CB 3.1Å; T607-Q610 PolarHBondContact O-N 2.95Å; T607-Q610 WeakPolarHBondContact OG1-CG 3.21Å; T607-Q610 PolarHBondContact OG1-N 2.81Å; Q610-L677 HydrophobicContact CG-CD1 4.39Å
611	I	91.4	Very high	81	Confident	7 Å²	7	89 Å²	89	4%	0.036	43%	0.429	C	S	.	.	H	α-helix	trans	-71.2	-48.4	175.1	-62.2	170.7	0	0	0	110.5	L606 T607 K608 E609 N613 L614 R646 D660 L663	L606-I611 HydrophobicContact CB-CD1 4.17Å; L606-I611 HydrophobicContact CB-CG1 3.66Å; L606-I611 HydrophobicContact CD1-CG1 4.46Å; T607-I611 WeakPolarHBondContact O-CG1 3.22Å; T607-I611 PolarHBondContact O-N 3.37Å; K608-I611 PolarHBondContact O-N 3.18Å; E609-I611 VanDerWaalsContact C-N 3.28Å; E609-I611 PolarHBondContact O-N 2.96Å; I611-N613 VanDerWaalsContact C-N 3.29Å; I611-N613 PolarHBondContact O-N 3.4Å; I611-L614 VanDerWaalsContact O-CB 3.31Å; I611-L614 WeakPolarHBondContact O-CB 3.32Å; I611-L614 WeakPolarHBondContact O-CG 3.35Å; I611-L614 PolarHBondContact O-N 3.14Å; I611-L614 VanDerWaalsContact O-N 3.1Å; I611-R646 PolarHBondContact O-NH1 2.86Å; I611-D660 HydrophobicContact CG2-CB 3.95Å; I611-D660 VanDerWaalsContact CG2-CG 3.47Å; I611-D660 WeakPolarHBondContact CG2-OD1 3.46Å; I611-L663 HydrophobicContact CD1-CB 3.71Å; I611-L663 HydrophobicContact CG1-CB 3.87Å; I611-L663 HydrophobicContact CG1-CD1 4.48Å
612	D	90.7	Very high	81.9	Confident	71 Å²	71	87.7 Å²	87.7	38%	0.38	42%	0.423	S	S	.	.	H	α-helix	trans	-64.3	-31.7	-175.9	-83.1	-28.2	0	0	0	113	K608 E609 L614 R646	K608-D612 IonicContact NZ-OD2 2.74Å; K608-D612 PolarHBondContact NZ-OD2 2.65Å; K608-D612 VanDerWaalsContact O-CB 3.31Å; K608-D612 WeakPolarHBondContact O-CB 3.4Å; K608-D612 PolarHBondContact O-N 3Å; E609-D612 PolarHBondContact O-N 2.88Å; D612-L614 PolarHBondContact O-N 3.01Å; D612-R646 PolarHBondContact O-NH1 2.91Å; D612-R646 IonicContact OD1-NH2 3.89Å; D612-R646 PolarHBondContact OD1-NH2 2.9Å
613	N	90.5	Very high	82.3	Confident	141 Å²	141	84.9 Å²	84.9	75%	0.754	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.3	174.7	-73.5	-25	0	0	0	114.7	E609 I611	E609-N613 WeakPolarHBondContact O-CB 3.16Å; E609-N613 PolarHBondContact O-N 3.34Å; E609-N613 PolarHBondContact O-ND2 3.25Å; E609-N613 VanDerWaalsContact O-ND2 3.14Å; I611-N613 VanDerWaalsContact C-N 3.29Å; I611-N613 PolarHBondContact O-N 3.4Å
614	L	91.2	Very high	82.7	Confident	19 Å²	19	86.5 Å²	86.5	10%	0.099	44%	0.436	C	S	.	.	S	Bend	trans	-76.8	138.9	177.9	-60.2	169.2	0	0	0	111.2	I611 D612 T616 R646 L648 P649 L663 V676	I611-L614 VanDerWaalsContact O-CB 3.31Å; I611-L614 WeakPolarHBondContact O-CB 3.32Å; I611-L614 WeakPolarHBondContact O-CG 3.35Å; I611-L614 PolarHBondContact O-N 3.14Å; I611-L614 VanDerWaalsContact O-N 3.1Å; D612-L614 PolarHBondContact O-N 3.01Å; L614-T616 PolarHBondContact O-N 3.25Å; L614-R646 HydrophobicContact CB-CG 3.91Å; L614-R646 PolarHBondContact O-NH1 3.17Å; L614-L648 HydrophobicContact CD1-CD2 3.97Å; L614-P649 HydrophobicContact CD2-CG 4.34Å; L614-L663 HydrophobicContact CD1-CD1 3.81Å; L614-V676 HydrophobicContact CD1-CG1 3.62Å; L614-V676 HydrophobicContact CD2-CG1 3.79Å; L614-V676 HydrophobicContact CG-CG1 4.36Å
615	S	92.2	Very high	82.2	Confident	69 Å²	69	83.1 Å²	83.1	48%	0.483	43%	0.432	S	S	.	.			trans	-44.1	129.8	-178.3	-177.7	0	0	0	0	113.3	R646 Q647	S615-R646 CarbonylContact O-C 3.56Å; S615-R646 WeakPolarHBondContact O-CA 3.45Å; S615-R646 WeakPolarHBondContact O-CG 3.39Å; S615-Q647 PolarHBondContact O-N 3.26Å
616	T	92.4	Very high	80.9	Confident	77 Å²	77	85.8 Å²	85.8	47%	0.472	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.9	173.1	64	0	0	0	0	111.3	L614 L645 R646 I656	L614-T616 PolarHBondContact O-N 3.25Å; T616-L645 CarbonylContact C-O 3.5Å; T616-L645 VanDerWaalsContact CA-O 3.23Å; T616-L645 WeakPolarHBondContact CA-O 3.25Å; T616-L645 WeakPolarHBondContact CB-O 3.45Å; T616-R646 HydrophobicContact CG2-CB 4.31Å; T616-R646 HydrophobicContact CG2-CG 4.08Å; T616-I656 HydrophobicContact CG2-CD1 3.78Å; T616-I656 HydrophobicContact CG2-CG1 4.28Å
617	R	89.4	Confident	79.3	Confident	77 Å²	77	94.3 Å²	94.3	29%	0.291	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	163.4	171.8	70.5	174.8	-170.7	90.2	-7.1	111.2	L645 E653	R617-L645 HydrophobicContact CG-CB 4.35Å; R617-L645 PolarHBondContact N-O 3.1Å; R617-L645 PolarHBondContact O-N 3.28Å; R617-L645 VanDerWaalsContact O-O 3.11Å; R617-E653 IonicContact CZ-OE1 3.18Å; R617-E653 IonicContact CZ-OE2 3.96Å; R617-E653 IonicContact NE-OE1 2.69Å; R617-E653 PolarHBondContact NE-OE1 2.95Å; R617-E653 IonicContact NH2-OE1 2.83Å; R617-E653 PolarHBondContact NH2-OE1 2.78Å; R617-E653 IonicContact NH2-OE2 2.91Å; R617-E653 PolarHBondContact NH2-OE2 3.34Å
618	H	90.1	Very high	77.7	Confident	100 Å²	100	98.8 Å²	98.8	46%	0.463	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	147.8	165.6	-60	88.6	0	0	0	109.1	K644	H618-K644 WeakPolarHBondContact NE2-CE 3.4Å
619	Y	88.1	Confident	76.2	Confident	21 Å²	21	93.8 Å²	93.8	8%	0.082	50%	0.5	C	S	.	.			trans	-81.8	124.3	166.8	-178.2	-96.5	0	0	0	109.4	H621 Y639 T641 G642 N643 L645	Y619-H621 HydrophobicContact CE1-CB 3.85Å; Y619-H621 PolarHBondContact OH-ND1 3.31Å; Y619-Y639 VanDerWaalsContact CD2-CB 3.48Å; Y619-Y639 AromaticContact CD2-CD2 3.99Å; Y619-Y639 HydrophobicContact CD2-CD2 3.99Å; Y619-Y639 HydrophobicContact CD2-CG 4.1Å; Y619-Y639 WeakPolarHBondContact CE1-O 3.36Å; Y619-Y639 HydrophobicContact CE2-CD2 4.25Å; Y619-Y639 HydrophobicContact CE2-CG 4.47Å; Y619-Y639 HydrophobicContact CG-CG 4.38Å; Y619-T641 WeakPolarHBondContact O-CA 3.41Å; Y619-G642 PolarHBondContact O-N 3Å; Y619-N643 PolarHBondContact N-O 3.19Å; Y619-L645 HydrophobicContact CD2-CD1 4.14Å; Y619-L645 HydrophobicContact CG-CD1 4.49Å
620	E	80.6	Confident	75.7	Confident	139 Å²	139	91 Å²	91	65%	0.65	49%	0.486	S	S	*	.			trans	-115.9	127.7	172	-63.7	-175.3	171.4	0	0	107.4	N622	E620-N622 PolarHBondContact O-N 3.27Å
621	H	71.6	Confident	75.7	Confident	102 Å²	102	91.8 Å²	91.8	47%	0.472	49%	0.492	S	S	.	.			trans	-86.8	91.1	-176.9	-175.2	77.5	0	0	0	110.2	Y619 T641	Y619-H621 HydrophobicContact CE1-CB 3.85Å; Y619-H621 PolarHBondContact OH-ND1 3.31Å; H621-T641 WeakPolarHBondContact CB-OG1 3.35Å
622	N	66.9	Low	75.8	Confident	99 Å²	99	91.5 Å²	91.5	53%	0.529	49%	0.49	S	S	.	.			trans	-76	128	171.8	-72.4	-8.2	0	0	0	109.7	E620 I624 D625	E620-N622 PolarHBondContact O-N 3.27Å; N622-I624 PolarHBondContact O-N 2.89Å; N622-D625 PolarHBondContact O-N 3.43Å
623	S	59.9	Low	75.8	Confident	104 Å²	104	91 Å²	91	73%	0.727	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	32.2	-177.5	64.6	0	0	0	0	114.2
624	I	61.2	Low	75.8	Confident	150 Å²	150	87 Å²	87	77%	0.769	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129	-36	-176.8	-54.8	177.4	0	0	0	109	N622 S626	N622-I624 PolarHBondContact O-N 2.89Å; I624-S626 PolarHBondContact O-N 3.2Å
625	D	53.5	Low	76	Confident	106 Å²	106	88.3 Å²	88.3	57%	0.567	48%	0.483	S	S	*	.	S	Bend	trans	-82.6	12.8	175.7	-70.6	-4.6	0	0	0	113.2	N622 E627 L628	N622-D625 PolarHBondContact O-N 3.43Å; D625-E627 PolarHBondContact O-N 2.96Å; D625-E627 VanDerWaalsContact O-N 3.11Å; D625-L628 PolarHBondContact O-N 3.33Å
626	S	51.7	Low	75.9	Confident	69 Å²	69	91 Å²	91	48%	0.483	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.2	-164.5	-53.6	0	0	0	0	115.6	I624	I624-S626 PolarHBondContact O-N 3.2Å
627	E	50.7	Low	75.8	Confident	194 Å²	194	90 Å²	90	91%	0.907	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-13.5	179.2	-104.6	168.3	178.6	0	0	114.5	D625	D625-E627 PolarHBondContact O-N 2.96Å; D625-E627 VanDerWaalsContact O-N 3.11Å
628	L	53	Low	75.9	Confident	154 Å²	154	91.1 Å²	91.1	81%	0.806	50%	0.498	S	S	*	.	S	Bend	trans	-124.1	68.5	172.6	-75.1	171.5	0	0	0	109.9	D625 K630	D625-L628 PolarHBondContact O-N 3.33Å; L628-K630 PolarHBondContact O-N 3.11Å
629	G	56.9	Low	75.9	Confident	48 Å²	48	87 Å²	87	50%	0.495	48%	0.479	S	S	.	.			trans	-49.9	108.5	175.2	0	0	0	0	0	111.2	I631	G629-I631 VanDerWaalsContact O-CG1 3.31Å; G629-I631 WeakPolarHBondContact O-CG1 3.31Å; G629-I631 PolarHBondContact O-N 3.29Å; G629-I631 VanDerWaalsContact O-N 3.12Å
630	K	77.7	Confident	75.9	Confident	91 Å²	91	90.4 Å²	90.4	40%	0.396	50%	0.502	S	S	.	.			trans	-70	109.6	-176.7	-72.9	-174	170.8	-171.7	0	110	L628 Y639 E653	L628-K630 PolarHBondContact O-N 3.11Å; K630-Y639 HydrophobicContact CB-CD2 3.43Å; K630-Y639 VanDerWaalsContact CB-CD2 3.43Å; K630-Y639 HydrophobicContact CB-CE2 3.79Å; K630-Y639 HydrophobicContact CB-CG 4.47Å; K630-Y639 WeakPolarHBondContact O-CD2 3.44Å; K630-Y639 VanDerWaalsContact O-CG 3.29Å; K630-Y639 PolarHBondContact O-N 3Å; K630-E653 IonicContact NZ-OE2 2.75Å; K630-E653 PolarHBondContact NZ-OE2 2.82Å
631	I	89.4	Confident	76.2	Confident	90 Å²	90	88.2 Å²	88.2	46%	0.462	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	138	178	-43.1	-168.7	0	0	0	109.5	G629 S633	G629-I631 VanDerWaalsContact O-CG1 3.31Å; G629-I631 WeakPolarHBondContact O-CG1 3.31Å; G629-I631 PolarHBondContact O-N 3.29Å; G629-I631 VanDerWaalsContact O-N 3.12Å; I631-S633 PolarHBondContact O-N 3.14Å
632	C	93.7	Very high	76.9	Confident	0 Å²	0	85.6 Å²	85.6	0%	0	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	114.7	166.3	-174.9	0	0	0	0	110.2	V634 C635 I636 S637 Y639 H655	C632-V634 PolarHBondContact O-N 3.47Å; C632-V634 VanDerWaalsContact O-N 3.11Å; C632-C635 VanDerWaalsContact CB-SG 3.56Å; C632-C635 PolarHBondContact O-N 3.24Å; C632-I636 VanDerWaalsContact O-CA 3.26Å; C632-I636 WeakPolarHBondContact O-CA 3.44Å; C632-I636 PolarHBondContact O-N 2.97Å; C632-S637 PolarHBondContact N-O 2.87Å; C632-Y639 WeakPolarHBondContact CA-OH 3.44Å; C632-Y639 HydrophobicContact CB-CE1 3.62Å; C632-H655 WeakPolarHBondContact CB-ND1 3.4Å
633	S	91.4	Very high	78	Confident	61 Å²	61	83 Å²	83	43%	0.427	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.6	-178.9	58.5	0	0	0	0	114.8	I631 F654 I671	I631-S633 PolarHBondContact O-N 3.14Å; S633-F654 WeakPolarHBondContact OG-CE1 3.22Å; S633-I671 WeakPolarHBondContact OG-CD1 3.31Å; S633-I671 WeakPolarHBondContact OG-CG1 3.15Å
634	V	91.3	Very high	79.6	Confident	56 Å²	56	84.1 Å²	84.1	34%	0.339	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-36	177.8	176	0	0	0	0	112.8	C632 F654 C658 P670	C632-V634 PolarHBondContact O-N 3.47Å; C632-V634 VanDerWaalsContact O-N 3.11Å; V634-F654 HydrophobicContact CG2-CD1 3.75Å; V634-F654 HydrophobicContact CG2-CE1 3.97Å; V634-C658 HydrophobicContact CB-CB 3.93Å; V634-C658 HydrophobicContact CG1-CB 3.77Å; V634-P670 HydrophobicContact CG2-CB 4.17Å; V634-P670 HydrophobicContact CG2-CG 3.9Å
635	C	93.6	Very high	81.1	Confident	47 Å²	47	77 Å²	77	32%	0.318	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	1.4	179	63.8	0	0	0	0	113.7	C632 S637 H655 C658	C632-C635 VanDerWaalsContact CB-SG 3.56Å; C632-C635 PolarHBondContact O-N 3.24Å; C635-S637 PolarHBondContact O-N 3.11Å; C635-S637 PolarHBondContact O-OG 3.05Å; C635-H655 PolarHBondContact SG-ND1 3.45Å; C635-C658 VanDerWaalsContact SG-SG 3.61Å
636	I	91.2	Very high	83.1	Confident	125 Å²	125	72.2 Å²	72.2	64%	0.641	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	44.6	178.9	-36.7	-179.4	0	0	0	111.2	C632	C632-I636 VanDerWaalsContact O-CA 3.26Å; C632-I636 WeakPolarHBondContact O-CA 3.44Å; C632-I636 PolarHBondContact O-N 2.97Å
637	S	90	Very high	85.1	Confident	58 Å²	58	70.9 Å²	70.9	41%	0.406	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.9	-176.1	-58.8	0	0	0	0	111	C632 C635	C632-S637 PolarHBondContact N-O 2.87Å; C635-S637 PolarHBondContact O-N 3.11Å; C635-S637 PolarHBondContact O-OG 3.05Å
638	D	90.5	Very high	87.1	Confident	99 Å²	99	61.8 Å²	61.8	53%	0.529	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	155.4	-176.3	-53.5	-44.2	0	0	0	113.3
639	Y	90.8	Very high	88.9	Confident	15 Å²	15	58.6 Å²	58.6	6%	0.059	35%	0.346	C	S	.	.			trans	-80.9	125.9	167.9	-59.9	-36.9	0	0	0	112.3	Y619 K630 C632 L645 E653 F654 H655	Y619-Y639 VanDerWaalsContact CD2-CB 3.48Å; Y619-Y639 AromaticContact CD2-CD2 3.99Å; Y619-Y639 HydrophobicContact CD2-CD2 3.99Å; Y619-Y639 HydrophobicContact CD2-CG 4.1Å; Y619-Y639 WeakPolarHBondContact CE1-O 3.36Å; Y619-Y639 HydrophobicContact CE2-CD2 4.25Å; Y619-Y639 HydrophobicContact CE2-CG 4.47Å; Y619-Y639 HydrophobicContact CG-CG 4.38Å; K630-Y639 HydrophobicContact CB-CD2 3.43Å; K630-Y639 VanDerWaalsContact CB-CD2 3.43Å; K630-Y639 HydrophobicContact CB-CE2 3.79Å; K630-Y639 HydrophobicContact CB-CG 4.47Å; K630-Y639 WeakPolarHBondContact O-CD2 3.44Å; K630-Y639 VanDerWaalsContact O-CG 3.29Å; K630-Y639 PolarHBondContact O-N 3Å; C632-Y639 WeakPolarHBondContact CA-OH 3.44Å; C632-Y639 HydrophobicContact CB-CE1 3.62Å; Y639-L645 HydrophobicContact CD1-CD1 4.29Å; Y639-L645 HydrophobicContact CD1-CD2 3.45Å; Y639-L645 VanDerWaalsContact CD1-CD2 3.45Å; Y639-L645 HydrophobicContact CD2-CD1 3.62Å; Y639-L645 HydrophobicContact CD2-CD2 4.3Å; Y639-L645 HydrophobicContact CE1-CD1 4.29Å; Y639-L645 HydrophobicContact CE1-CD2 3.33Å; Y639-L645 HydrophobicContact CE1-CG 4.45Å; Y639-L645 HydrophobicContact CE2-CD1 3.7Å; Y639-L645 HydrophobicContact CE2-CD2 4.27Å; Y639-L645 HydrophobicContact CG-CD1 3.99Å; Y639-L645 HydrophobicContact CG-CD2 3.97Å; Y639-E653 PolarHBondContact OH-O 3.36Å; Y639-F654 WeakPolarHBondContact OH-CA 3.31Å; Y639-F654 PolarHBondContact OH-N 2.7Å; Y639-H655 AromaticContact CD1-CE1 3.67Å; Y639-H655 AromaticContact CD1-NE2 3.64Å; Y639-H655 AromaticContact CE1-CE1 3.63Å; Y639-H655 AromaticContact CE1-ND1 3.68Å; Y639-H655 AromaticContact CE1-NE2 3.94Å
640	V	87.6	Confident	90.6	Very high	92 Å²	92	58.1 Å²	58.1	56%	0.558	34%	0.335	S	S	*	.			trans	-107.7	144.3	177.3	-179.2	0	0	0	0	108.7	G642 N643	V640-G642 PolarHBondContact O-N 3.09Å; V640-N643 PolarHBondContact N-ND2 2.92Å; V640-N643 WeakPolarHBondContact O-CB 3.39Å; V640-N643 VanDerWaalsContact O-CG 3.24Å; V640-N643 PolarHBondContact O-N 2.93Å
641	T	86.7	Confident	91.2	Very high	93 Å²	93	60 Å²	60	57%	0.571	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	127.3	-179.8	-53.5	0	0	0	0	111.9	Y619 H621	Y619-T641 WeakPolarHBondContact O-CA 3.41Å; H621-T641 WeakPolarHBondContact CB-OG1 3.35Å
642	G	86.5	Confident	91.4	Very high	47 Å²	47	58.5 Å²	58.5	49%	0.485	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	-8.5	-176.1	0	0	0	0	0	115	Y619 V640 K644	Y619-G642 PolarHBondContact O-N 3Å; V640-G642 PolarHBondContact O-N 3.09Å; G642-K644 PolarHBondContact O-N 3.4Å
643	N	90.3	Very high	91.4	Very high	44 Å²	44	60.1 Å²	60.1	24%	0.235	35%	0.345	C	S	.	.			trans	-57.7	129.7	169.9	-80.1	-9.5	0	0	0	110.1	Y619 V640 L645 H655	Y619-N643 PolarHBondContact N-O 3.19Å; V640-N643 PolarHBondContact N-ND2 2.92Å; V640-N643 WeakPolarHBondContact O-CB 3.39Å; V640-N643 VanDerWaalsContact O-CG 3.24Å; V640-N643 PolarHBondContact O-N 2.93Å; N643-L645 HydrophobicContact CB-CD2 4.28Å; N643-H655 PolarHBondContact ND2-NE2 2.75Å
644	K	93.1	Very high	91.6	Very high	127 Å²	127	57.2 Å²	57.2	55%	0.552	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.9	171	-62.2	-167.2	175.8	-169.3	0	110	H618 G642 I656	H618-K644 WeakPolarHBondContact NE2-CE 3.4Å; G642-K644 PolarHBondContact O-N 3.4Å; K644-I656 HydrophobicContact CB-CD1 3.53Å; K644-I656 HydrophobicContact CB-CG1 4Å; K644-I656 HydrophobicContact CD-CD1 4.15Å; K644-I656 HydrophobicContact CG-CD1 4.47Å; K644-I656 PolarHBondContact O-N 2.89Å; K644-I656 VanDerWaalsContact O-N 3.14Å
645	L	94.2	Very high	91.8	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	145	176.5	-51.5	-172.4	0	0	0	110.1	T616 R617 Y619 Y639 N643 F654	T616-L645 CarbonylContact C-O 3.5Å; T616-L645 VanDerWaalsContact CA-O 3.23Å; T616-L645 WeakPolarHBondContact CA-O 3.25Å; T616-L645 WeakPolarHBondContact CB-O 3.45Å; R617-L645 HydrophobicContact CG-CB 4.35Å; R617-L645 PolarHBondContact N-O 3.1Å; R617-L645 PolarHBondContact O-N 3.28Å; R617-L645 VanDerWaalsContact O-O 3.11Å; Y619-L645 HydrophobicContact CD2-CD1 4.14Å; Y619-L645 HydrophobicContact CG-CD1 4.49Å; Y639-L645 HydrophobicContact CD1-CD1 4.29Å; Y639-L645 HydrophobicContact CD1-CD2 3.45Å; Y639-L645 VanDerWaalsContact CD1-CD2 3.45Å; Y639-L645 HydrophobicContact CD2-CD1 3.62Å; Y639-L645 HydrophobicContact CD2-CD2 4.3Å; Y639-L645 HydrophobicContact CE1-CD1 4.29Å; Y639-L645 HydrophobicContact CE1-CD2 3.33Å; Y639-L645 HydrophobicContact CE1-CG 4.45Å; Y639-L645 HydrophobicContact CE2-CD1 3.7Å; Y639-L645 HydrophobicContact CE2-CD2 4.27Å; Y639-L645 HydrophobicContact CG-CD1 3.99Å; Y639-L645 HydrophobicContact CG-CD2 3.97Å; N643-L645 HydrophobicContact CB-CD2 4.28Å; L645-F654 CarbonylContact C-O 3.39Å; L645-F654 WeakPolarHBondContact CA-O 3.49Å; L645-F654 WeakPolarHBondContact CB-O 3.26Å
646	R	94.3	Very high	91.8	Very high	6 Å²	6	54.6 Å²	54.6	2%	0.023	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137.1	166.2	-162.7	178.3	-70.5	-84.3	24.5	108.3	I611 D612 L614 S615 T616 F654 I656 I659 D660	I611-R646 PolarHBondContact O-NH1 2.86Å; D612-R646 PolarHBondContact O-NH1 2.91Å; D612-R646 IonicContact OD1-NH2 3.89Å; D612-R646 PolarHBondContact OD1-NH2 2.9Å; L614-R646 HydrophobicContact CB-CG 3.91Å; L614-R646 PolarHBondContact O-NH1 3.17Å; S615-R646 CarbonylContact O-C 3.56Å; S615-R646 WeakPolarHBondContact O-CA 3.45Å; S615-R646 WeakPolarHBondContact O-CG 3.39Å; T616-R646 HydrophobicContact CG2-CB 4.31Å; T616-R646 HydrophobicContact CG2-CG 4.08Å; R646-F654 PolarHBondContact N-O 2.83Å; R646-F654 PolarHBondContact O-N 3.32Å; R646-I656 HydrophobicContact CB-CG1 4.13Å; R646-I659 HydrophobicContact CB-CG2 3.81Å; R646-I659 HydrophobicContact CG-CG2 4.48Å; R646-D660 WeakPolarHBondContact CD-OD1 3.49Å; R646-D660 IonicContact CZ-OD1 3.74Å; R646-D660 IonicContact CZ-OD2 3Å; R646-D660 IonicContact NE-OD1 3.75Å; R646-D660 PolarHBondContact NE-OD1 3.34Å; R646-D660 IonicContact NE-OD2 2.7Å; R646-D660 IonicContact NH2-OD1 2.96Å; R646-D660 PolarHBondContact NH2-OD1 2.88Å; R646-D660 IonicContact NH2-OD2 3.36Å; R646-D660 PolarHBondContact NH2-OD2 2.96Å
647	Q	93.5	Very high	91.9	Very high	41 Å²	41	55 Å²	55	19%	0.192	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.4	177.5	-177.2	170.3	47.5	0	0	108.8	S615 M651 H652 E653	S615-Q647 PolarHBondContact O-N 3.26Å; Q647-M651 PolarHBondContact NE2-O 2.88Å; Q647-M651 VanDerWaalsContact NE2-O 3.11Å; Q647-H652 WeakPolarHBondContact CA-O 3.39Å; Q647-E653 HydrophobicContact CG-CG 4.46Å
648	L	93.8	Very high	92.2	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	29%	0.289	C	S	.	.			trans	-81.8	159.7	175.9	-55.9	-176.4	0	0	0	110.3	L614 C650 M651 H652 F654 I659 L663 C669 V676	L614-L648 HydrophobicContact CD1-CD2 3.97Å; L648-C650 PolarHBondContact O-N 3.05Å; L648-C650 VanDerWaalsContact O-N 3.08Å; L648-M651 WeakPolarHBondContact O-CA 3.19Å; L648-M651 PolarHBondContact O-N 3.38Å; L648-H652 PolarHBondContact N-O 3.06Å; L648-F654 HydrophobicContact CD1-CD2 4.14Å; L648-F654 HydrophobicContact CD1-CE2 3.57Å; L648-F654 HydrophobicContact CD1-CZ 4.47Å; L648-F654 HydrophobicContact CG-CD2 4.22Å; L648-F654 HydrophobicContact CG-CE2 4.04Å; L648-I659 HydrophobicContact CD1-CD1 4.08Å; L648-I659 HydrophobicContact CD1-CG1 4.36Å; L648-I659 HydrophobicContact CD2-CG1 4.04Å; L648-L663 HydrophobicContact CD2-CD1 3.96Å; L648-C669 HydrophobicContact CD1-CB 3.74Å; L648-V676 HydrophobicContact CD1-CG2 3.86Å; L648-V676 HydrophobicContact CD2-CG1 4.02Å; L648-V676 HydrophobicContact CD2-CG2 4.07Å; L648-V676 HydrophobicContact CG-CG2 4.4Å
649	P	91.7	Very high	92.4	Very high	88 Å²	88	48.2 Å²	48.2	57%	0.571	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.8	178.6	-27	37.9	0	0	0	113.8	L614 M651 V676	L614-P649 HydrophobicContact CD2-CG 4.34Å; P649-M651 PolarHBondContact O-N 3.5Å; P649-M651 VanDerWaalsContact O-N 3.16Å; P649-V676 WeakPolarHBondContact CG-O 3.39Å
650	C	92.4	Very high	92.6	Very high	37 Å²	37	49.1 Å²	49.1	25%	0.25	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	26	169.1	62	0	0	0	0	113.9	L648 H652 C669	L648-C650 PolarHBondContact O-N 3.05Å; L648-C650 VanDerWaalsContact O-N 3.08Å; C650-H652 PolarHBondContact O-N 3.44Å; C650-H652 PolarHBondContact O-ND1 3.46Å; C650-C669 VanDerWaalsContact SG-SG 3.61Å
651	M	90.2	Very high	92.9	Very high	131 Å²	131	53 Å²	53	65%	0.645	27%	0.274	S	S	*	.	S	Bend	trans	57.8	-9	179.6	-60.2	-59.9	-75.5	0	0	118.6	Q647 L648 P649	Q647-M651 PolarHBondContact NE2-O 2.88Å; Q647-M651 VanDerWaalsContact NE2-O 3.11Å; L648-M651 WeakPolarHBondContact O-CA 3.19Å; L648-M651 PolarHBondContact O-N 3.38Å; P649-M651 PolarHBondContact O-N 3.5Å; P649-M651 VanDerWaalsContact O-N 3.16Å
652	H	92.7	Very high	93.2	Very high	59 Å²	59	52.6 Å²	52.6	27%	0.273	26%	0.262	S	S	.	.			trans	-66.1	138.4	178.6	-68.8	90.6	0	0	0	112.7	Q647 L648 C650 F654 I671	Q647-H652 WeakPolarHBondContact CA-O 3.39Å; L648-H652 PolarHBondContact N-O 3.06Å; C650-H652 PolarHBondContact O-N 3.44Å; C650-H652 PolarHBondContact O-ND1 3.46Å; H652-F654 HydrophobicContact CB-CE2 3.71Å; H652-F654 HydrophobicContact CB-CZ 4.12Å; H652-I671 HydrophobicContact CB-CD1 4.32Å; H652-I671 VanDerWaalsContact CD2-CD1 3.49Å; H652-I671 WeakPolarHBondContact CD2-CD1 3.2Å; H652-I671 VanDerWaalsContact NE2-CG2 3.34Å; H652-I671 WeakPolarHBondContact NE2-CG2 3.15Å
653	E	93.1	Very high	93.6	Very high	33 Å²	33	50.4 Å²	50.4	15%	0.154	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.6	-170.5	-46.7	-174.6	115.7	0	0	111.3	R617 K630 Y639 Q647	R617-E653 IonicContact CZ-OE1 3.18Å; R617-E653 IonicContact CZ-OE2 3.96Å; R617-E653 IonicContact NE-OE1 2.69Å; R617-E653 PolarHBondContact NE-OE1 2.95Å; R617-E653 IonicContact NH2-OE1 2.83Å; R617-E653 PolarHBondContact NH2-OE1 2.78Å; R617-E653 IonicContact NH2-OE2 2.91Å; R617-E653 PolarHBondContact NH2-OE2 3.34Å; K630-E653 IonicContact NZ-OE2 2.75Å; K630-E653 PolarHBondContact NZ-OE2 2.82Å; Y639-E653 PolarHBondContact OH-O 3.36Å; Q647-E653 HydrophobicContact CG-CG 4.46Å
654	F	95.6	Very high	93.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.4	-177.5	-57.2	-90.3	0	0	0	110.8	S633 V634 Y639 L645 R646 L648 H652 I656 I659 P670 I671	S633-F654 WeakPolarHBondContact OG-CE1 3.22Å; V634-F654 HydrophobicContact CG2-CD1 3.75Å; V634-F654 HydrophobicContact CG2-CE1 3.97Å; Y639-F654 WeakPolarHBondContact OH-CA 3.31Å; Y639-F654 PolarHBondContact OH-N 2.7Å; L645-F654 CarbonylContact C-O 3.39Å; L645-F654 WeakPolarHBondContact CA-O 3.49Å; L645-F654 WeakPolarHBondContact CB-O 3.26Å; R646-F654 PolarHBondContact N-O 2.83Å; R646-F654 PolarHBondContact O-N 3.32Å; L648-F654 HydrophobicContact CD1-CD2 4.14Å; L648-F654 HydrophobicContact CD1-CE2 3.57Å; L648-F654 HydrophobicContact CD1-CZ 4.47Å; L648-F654 HydrophobicContact CG-CD2 4.22Å; L648-F654 HydrophobicContact CG-CE2 4.04Å; H652-F654 HydrophobicContact CB-CE2 3.71Å; H652-F654 HydrophobicContact CB-CZ 4.12Å; F654-I656 PolarHBondContact O-N 3.03Å; F654-I659 HydrophobicContact CB-CB 3.58Å; F654-I659 HydrophobicContact CB-CG1 4.27Å; F654-I659 HydrophobicContact CB-CG2 3.81Å; F654-I659 HydrophobicContact CD1-CD1 4.4Å; F654-I659 HydrophobicContact CD2-CB 4.22Å; F654-I659 HydrophobicContact CD2-CD1 3.91Å; F654-I659 HydrophobicContact CD2-CG1 3.95Å; F654-I659 HydrophobicContact CE2-CD1 4.11Å; F654-I659 HydrophobicContact CG-CB 3.94Å; F654-I659 HydrophobicContact CG-CD1 4.07Å; F654-I659 HydrophobicContact CG-CG1 4.14Å; F654-I659 HydrophobicContact CZ-CD1 4.43Å; F654-P670 HydrophobicContact CD1-CG 4.47Å; F654-P670 HydrophobicContact CE1-CB 3.88Å; F654-P670 HydrophobicContact CE1-CG 3.73Å; F654-P670 HydrophobicContact CZ-CB 4.04Å; F654-P670 HydrophobicContact CZ-CG 3.81Å; F654-I671 HydrophobicContact CE1-CD1 3.88Å; F654-I671 HydrophobicContact CE1-CG1 4.11Å; F654-I671 HydrophobicContact CZ-CD1 3.66Å; F654-I671 HydrophobicContact CZ-CG1 3.88Å
655	H	95.5	Very high	93.2	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.056	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	137.2	164	-61	99.3	0	0	0	110.1	C632 C635 Y639 N643 H657 C658 I659	C632-H655 WeakPolarHBondContact CB-ND1 3.4Å; C635-H655 PolarHBondContact SG-ND1 3.45Å; Y639-H655 AromaticContact CD1-CE1 3.67Å; Y639-H655 AromaticContact CD1-NE2 3.64Å; Y639-H655 AromaticContact CE1-CE1 3.63Å; Y639-H655 AromaticContact CE1-ND1 3.68Å; Y639-H655 AromaticContact CE1-NE2 3.94Å; N643-H655 PolarHBondContact ND2-NE2 2.75Å; H655-H657 AromaticContact CD2-CE1 3.97Å; H655-H657 AromaticContact CG-CE1 3.87Å; H655-H657 PolarHBondContact O-N 2.96Å; H655-C658 HydrophobicContact CB-CB 4.13Å; H655-C658 WeakPolarHBondContact O-CB 3.5Å; H655-C658 PolarHBondContact O-N 3.42Å; H655-I659 PolarHBondContact O-N 2.84Å; H655-I659 VanDerWaalsContact O-N 3.11Å
656	I	94.8	Very high	92.9	Very high	37 Å²	37	53.1 Å²	53.1	19%	0.19	26%	0.262	C	S	.	.	H	α-helix	trans	-47.3	-56.5	178	-67.9	-175.9	0	0	0	111	T616 K644 R646 F654 C658 I659 D660	T616-I656 HydrophobicContact CG2-CD1 3.78Å; T616-I656 HydrophobicContact CG2-CG1 4.28Å; K644-I656 HydrophobicContact CB-CD1 3.53Å; K644-I656 HydrophobicContact CB-CG1 4Å; K644-I656 HydrophobicContact CD-CD1 4.15Å; K644-I656 HydrophobicContact CG-CD1 4.47Å; K644-I656 PolarHBondContact O-N 2.89Å; K644-I656 VanDerWaalsContact O-N 3.14Å; R646-I656 HydrophobicContact CB-CG1 4.13Å; F654-I656 PolarHBondContact O-N 3.03Å; I656-C658 PolarHBondContact O-N 2.79Å; I656-I659 PolarHBondContact O-N 3.4Å; I656-D660 WeakPolarHBondContact CG2-OD2 3.49Å; I656-D660 VanDerWaalsContact O-CB 3.25Å; I656-D660 WeakPolarHBondContact O-CB 3.4Å; I656-D660 PolarHBondContact O-N 2.81Å
657	H	94	Very high	92.7	Very high	134 Å²	134	54.6 Å²	54.6	62%	0.62	27%	0.273	S	S	*	.	H	α-helix	trans	-63.5	-18.1	-176.8	63	-100.4	0	0	0	114.8	H655	H655-H657 AromaticContact CD2-CE1 3.97Å; H655-H657 AromaticContact CG-CE1 3.87Å; H655-H657 PolarHBondContact O-N 2.96Å
658	C	95.9	Very high	92.5	Very high	13 Å²	13	54.6 Å²	54.6	9%	0.088	28%	0.276	C	S	.	.	H	α-helix	trans	-83.8	-49.4	175.7	-74.1	0	0	0	0	111.3	V634 C635 H655 I656 W662	V634-C658 HydrophobicContact CB-CB 3.93Å; V634-C658 HydrophobicContact CG1-CB 3.77Å; C635-C658 VanDerWaalsContact SG-SG 3.61Å; H655-C658 HydrophobicContact CB-CB 4.13Å; H655-C658 WeakPolarHBondContact O-CB 3.5Å; H655-C658 PolarHBondContact O-N 3.42Å; I656-C658 PolarHBondContact O-N 2.79Å; C658-W662 PolarHBondContact O-N 3.08Å
659	I	94.6	Very high	92.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-80.9	-31.1	-175.9	-168	66.3	0	0	0	113	R646 L648 F654 H655 I656 R661 W662 L663 P670	R646-I659 HydrophobicContact CB-CG2 3.81Å; R646-I659 HydrophobicContact CG-CG2 4.48Å; L648-I659 HydrophobicContact CD1-CD1 4.08Å; L648-I659 HydrophobicContact CD1-CG1 4.36Å; L648-I659 HydrophobicContact CD2-CG1 4.04Å; F654-I659 HydrophobicContact CB-CB 3.58Å; F654-I659 HydrophobicContact CB-CG1 4.27Å; F654-I659 HydrophobicContact CB-CG2 3.81Å; F654-I659 HydrophobicContact CD1-CD1 4.4Å; F654-I659 HydrophobicContact CD2-CB 4.22Å; F654-I659 HydrophobicContact CD2-CD1 3.91Å; F654-I659 HydrophobicContact CD2-CG1 3.95Å; F654-I659 HydrophobicContact CE2-CD1 4.11Å; F654-I659 HydrophobicContact CG-CB 3.94Å; F654-I659 HydrophobicContact CG-CD1 4.07Å; F654-I659 HydrophobicContact CG-CG1 4.14Å; F654-I659 HydrophobicContact CZ-CD1 4.43Å; H655-I659 PolarHBondContact O-N 2.84Å; H655-I659 VanDerWaalsContact O-N 3.11Å; I656-I659 PolarHBondContact O-N 3.4Å; I659-R661 VanDerWaalsContact C-N 3.26Å; I659-R661 PolarHBondContact O-N 3.29Å; I659-W662 HydrophobicContact CD1-CB 4.19Å; I659-W662 HydrophobicContact CD1-CG 4.22Å; I659-W662 PolarHBondContact O-N 2.83Å; I659-L663 HydrophobicContact CD1-CD1 4.41Å; I659-L663 HydrophobicContact CD1-CG 4.18Å; I659-L663 HydrophobicContact CG1-CD1 3.84Å; I659-L663 HydrophobicContact CG1-CG 4.04Å; I659-L663 WeakPolarHBondContact O-CB 3.13Å; I659-L663 WeakPolarHBondContact O-CG 3.17Å; I659-L663 PolarHBondContact O-N 3.04Å; I659-P670 VanDerWaalsContact CD1-CD 3.46Å; I659-P670 HydrophobicContact CD1-CG 3.56Å
660	D	94.2	Very high	92.6	Very high	35 Å²	35	52 Å²	52	19%	0.187	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-37.5	174.7	-66.9	21.8	0	0	0	110.7	I611 R646 I656 S664	I611-D660 HydrophobicContact CG2-CB 3.95Å; I611-D660 VanDerWaalsContact CG2-CG 3.47Å; I611-D660 WeakPolarHBondContact CG2-OD1 3.46Å; R646-D660 WeakPolarHBondContact CD-OD1 3.49Å; R646-D660 IonicContact CZ-OD1 3.74Å; R646-D660 IonicContact CZ-OD2 3Å; R646-D660 IonicContact NE-OD1 3.75Å; R646-D660 PolarHBondContact NE-OD1 3.34Å; R646-D660 IonicContact NE-OD2 2.7Å; R646-D660 IonicContact NH2-OD1 2.96Å; R646-D660 PolarHBondContact NH2-OD1 2.88Å; R646-D660 IonicContact NH2-OD2 3.36Å; R646-D660 PolarHBondContact NH2-OD2 2.96Å; I656-D660 WeakPolarHBondContact CG2-OD2 3.49Å; I656-D660 VanDerWaalsContact O-CB 3.25Å; I656-D660 WeakPolarHBondContact O-CB 3.4Å; I656-D660 PolarHBondContact O-N 2.81Å; D660-S664 WeakPolarHBondContact O-CB 3.35Å; D660-S664 PolarHBondContact O-N 2.69Å
661	R	93.2	Very high	92.5	Very high	172 Å²	172	54.4 Å²	54.4	65%	0.649	27%	0.268	S	S	*	.	H	α-helix	trans	-65.3	-50	172.1	-178.1	177.2	176.8	177.4	-1.6	111.2	I659 L663 S664	I659-R661 VanDerWaalsContact C-N 3.26Å; I659-R661 PolarHBondContact O-N 3.29Å; R661-L663 VanDerWaalsContact C-N 3.29Å; R661-L663 PolarHBondContact O-N 2.99Å; R661-S664 PolarHBondContact O-N 3.12Å; R661-S664 PolarHBondContact O-OG 2.87Å
662	W	94.5	Very high	92.6	Very high	86 Å²	86	50.2 Å²	50.2	33%	0.326	25%	0.252	S	S	.	.	H	α-helix	trans	-55.6	-45.5	177.1	175.1	-88.9	0	0	0	111.7	C658 I659 S664 E665 N666 T668 P670	C658-W662 PolarHBondContact O-N 3.08Å; I659-W662 HydrophobicContact CD1-CB 4.19Å; I659-W662 HydrophobicContact CD1-CG 4.22Å; I659-W662 PolarHBondContact O-N 2.83Å; W662-S664 VanDerWaalsContact C-N 3.32Å; W662-S664 PolarHBondContact O-N 3.11Å; W662-E665 CarbonylContact O-C 3.45Å; W662-E665 PolarHBondContact O-N 2.84Å; W662-E665 VanDerWaalsContact O-N 3.13Å; W662-N666 HydrophobicContact CZ2-CB 4.39Å; W662-N666 WeakPolarHBondContact O-CB 3.41Å; W662-N666 PolarHBondContact O-N 3.17Å; W662-N666 PolarHBondContact O-ND2 2.91Å; W662-T668 PolarHBondContact NE1-O 2.75Å; W662-P670 HydrophobicContact CD2-CG 3.91Å; W662-P670 HydrophobicContact CG-CG 3.89Å; W662-P670 HydrophobicContact CZ2-CG 4.44Å
663	L	93.4	Very high	92.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-75.4	-16.3	-178.3	-66.8	175.6	0	0	0	114.1	G605 L606 I611 L614 L648 I659 R661 E665 N666 V676	G605-L663 CarbonylContact C-O 3.48Å; G605-L663 VanDerWaalsContact CA-O 3.27Å; G605-L663 WeakPolarHBondContact CA-O 3.23Å; L606-L663 HydrophobicContact CD1-CD1 4.36Å; L606-L663 HydrophobicContact CD1-CD2 4.32Å; L606-L663 PolarHBondContact N-O 2.83Å; I611-L663 HydrophobicContact CD1-CB 3.71Å; I611-L663 HydrophobicContact CG1-CB 3.87Å; I611-L663 HydrophobicContact CG1-CD1 4.48Å; L614-L663 HydrophobicContact CD1-CD1 3.81Å; L648-L663 HydrophobicContact CD2-CD1 3.96Å; I659-L663 HydrophobicContact CD1-CD1 4.41Å; I659-L663 HydrophobicContact CD1-CG 4.18Å; I659-L663 HydrophobicContact CG1-CD1 3.84Å; I659-L663 HydrophobicContact CG1-CG 4.04Å; I659-L663 WeakPolarHBondContact O-CB 3.13Å; I659-L663 WeakPolarHBondContact O-CG 3.17Å; I659-L663 PolarHBondContact O-N 3.04Å; R661-L663 VanDerWaalsContact C-N 3.29Å; R661-L663 PolarHBondContact O-N 2.99Å; L663-E665 PolarHBondContact O-N 3.16Å; L663-N666 CarbonylContact C-O 3.53Å; L663-N666 VanDerWaalsContact CA-O 3.22Å; L663-N666 WeakPolarHBondContact CA-O 3.5Å; L663-V676 HydrophobicContact CD1-CG1 4.27Å; L663-V676 HydrophobicContact CD2-CB 4.29Å; L663-V676 HydrophobicContact CD2-CG2 3.8Å
664	S	90.1	Very high	92.2	Very high	68 Å²	68	61.4 Å²	61.4	48%	0.476	30%	0.295	S	S	.	.	H	α-helix	trans	-72.8	-16.7	168	73.7	0	0	0	0	113.3	D660 R661 W662	D660-S664 WeakPolarHBondContact O-CB 3.35Å; D660-S664 PolarHBondContact O-N 2.69Å; R661-S664 PolarHBondContact O-N 3.12Å; R661-S664 PolarHBondContact O-OG 2.87Å; W662-S664 VanDerWaalsContact C-N 3.32Å; W662-S664 PolarHBondContact O-N 3.11Å
665	E	86.8	Confident	91.8	Very high	111 Å²	111	64.3 Å²	64.3	52%	0.519	31%	0.314	S	S	.	.	H	α-helix	trans	-114.1	-15.5	179.2	-64.8	174	-155.9	0	0	112.7	W662 L663	W662-E665 CarbonylContact O-C 3.45Å; W662-E665 PolarHBondContact O-N 2.84Å; W662-E665 VanDerWaalsContact O-N 3.13Å; L663-E665 PolarHBondContact O-N 3.16Å
666	N	87.7	Confident	91.5	Very high	50 Å²	50	63.9 Å²	63.9	27%	0.267	31%	0.312	S	S	.	.			trans	-143.3	158.1	-172.7	-56.4	-97.5	0	0	0	111.4	W662 L663	W662-N666 HydrophobicContact CZ2-CB 4.39Å; W662-N666 WeakPolarHBondContact O-CB 3.41Å; W662-N666 PolarHBondContact O-N 3.17Å; W662-N666 PolarHBondContact O-ND2 2.91Å; L663-N666 CarbonylContact C-O 3.53Å; L663-N666 VanDerWaalsContact CA-O 3.22Å; L663-N666 WeakPolarHBondContact CA-O 3.5Å
667	C	88.3	Confident	90.8	Very high	37 Å²	37	66 Å²	66	25%	0.25	32%	0.324	C	S	.	.	S	Bend	trans	-106.5	5.9	176.2	59.2	0	0	0	0	114.6	L606 V676	L606-C667 HydrophobicContact CD2-CB 4.15Å; C667-V676 PolarHBondContact O-N 3.29Å
668	T	91.2	Very high	89.2	Confident	42 Å²	42	62.2 Å²	62.2	26%	0.258	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-122	158.2	-168.6	56	0	0	0	0	114	W662 R673 Q674	W662-T668 PolarHBondContact NE1-O 2.75Å; T668-R673 WeakPolarHBondContact CB-O 3.34Å; T668-R673 WeakPolarHBondContact CG2-O 3.39Å; T668-Q674 CarbonylContact C-O 3.58Å; T668-Q674 WeakPolarHBondContact CA-O 3.46Å
669	C	93.2	Very high	86.7	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.35	C	S	.	.			trans	-70.8	129.8	175.3	174.4	0	0	0	0	112.3	L648 C650 I671 R673 Q674	L648-C669 HydrophobicContact CD1-CB 3.74Å; C650-C669 VanDerWaalsContact SG-SG 3.61Å; C669-I671 PolarHBondContact O-N 2.97Å; C669-I671 VanDerWaalsContact O-N 3.09Å; C669-I671 PolarHBondContact SG-N 3.27Å; C669-I671 VanDerWaalsContact SG-N 3.42Å; C669-R673 WeakPolarHBondContact O-CA 3.22Å; C669-R673 PolarHBondContact O-N 3.24Å; C669-Q674 PolarHBondContact N-O 3.32Å
670	P	92.5	Very high	84.1	Confident	36 Å²	36	73.9 Å²	73.9	23%	0.234	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.4	176.8	-25.6	31	0	0	0	115.8	V634 F654 I659 W662	V634-P670 HydrophobicContact CG2-CB 4.17Å; V634-P670 HydrophobicContact CG2-CG 3.9Å; F654-P670 HydrophobicContact CD1-CG 4.47Å; F654-P670 HydrophobicContact CE1-CB 3.88Å; F654-P670 HydrophobicContact CE1-CG 3.73Å; F654-P670 HydrophobicContact CZ-CB 4.04Å; F654-P670 HydrophobicContact CZ-CG 3.81Å; I659-P670 VanDerWaalsContact CD1-CD 3.46Å; I659-P670 HydrophobicContact CD1-CG 3.56Å; W662-P670 HydrophobicContact CD2-CG 3.91Å; W662-P670 HydrophobicContact CG-CG 3.89Å; W662-P670 HydrophobicContact CZ2-CG 4.44Å
671	I	91.4	Very high	81.6	Confident	86 Å²	86	80.3 Å²	80.3	44%	0.441	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-58.9	-174.2	-62.7	168.2	0	0	0	111.1	S633 H652 F654 C669	S633-I671 WeakPolarHBondContact OG-CD1 3.31Å; S633-I671 WeakPolarHBondContact OG-CG1 3.15Å; H652-I671 HydrophobicContact CB-CD1 4.32Å; H652-I671 VanDerWaalsContact CD2-CD1 3.49Å; H652-I671 WeakPolarHBondContact CD2-CD1 3.2Å; H652-I671 VanDerWaalsContact NE2-CG2 3.34Å; H652-I671 WeakPolarHBondContact NE2-CG2 3.15Å; F654-I671 HydrophobicContact CE1-CD1 3.88Å; F654-I671 HydrophobicContact CE1-CG1 4.11Å; F654-I671 HydrophobicContact CZ-CD1 3.66Å; F654-I671 HydrophobicContact CZ-CG1 3.88Å; C669-I671 PolarHBondContact O-N 2.97Å; C669-I671 VanDerWaalsContact O-N 3.09Å; C669-I671 PolarHBondContact SG-N 3.27Å; C669-I671 VanDerWaalsContact SG-N 3.42Å
672	C	92	Very high	79	Confident	44 Å²	44	76.1 Å²	76.1	30%	0.297	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-0.3	-175.2	65.6	0	0	0	0	115	Q674	C672-Q674 HydrophobicContact CB-CG 4.39Å; C672-Q674 PolarHBondContact O-N 2.83Å
673	R	89.5	Confident	76.2	Confident	209 Å²	209	79.8 Å²	79.8	79%	0.789	45%	0.451	S	S	*	.			trans	57.7	1.7	-178.8	-56.6	-173.8	-179.1	-158.4	0.2	116.8	T668 C669	T668-R673 WeakPolarHBondContact CB-O 3.34Å; T668-R673 WeakPolarHBondContact CG2-O 3.39Å; C669-R673 WeakPolarHBondContact O-CA 3.22Å; C669-R673 PolarHBondContact O-N 3.24Å
674	Q	87.9	Confident	73.3	Confident	117 Å²	117	88.1 Å²	88.1	55%	0.547	50%	0.495	S	S	.	.			trans	-58.7	143.4	172.7	-66.3	-63.5	-28.9	0	0	110.9	T668 C669 C672	T668-Q674 CarbonylContact C-O 3.58Å; T668-Q674 WeakPolarHBondContact CA-O 3.46Å; C669-Q674 PolarHBondContact N-O 3.32Å; C672-Q674 HydrophobicContact CB-CG 4.39Å; C672-Q674 PolarHBondContact O-N 2.83Å
675	P	87.9	Confident	70.6	Confident	61 Å²	61	92.2 Å²	92.2	40%	0.396	55%	0.548	S	S	.	.	B	Isolated β-bridge	trans	-64.6	139.9	174.7	29.4	-34.9	0	0	0	110.1	L677	P675-L677 VanDerWaalsContact C-N 3.34Å
676	V	87.9	Confident	69.7	Low	4 Å²	4	91.3 Å²	91.3	2%	0.024	55%	0.55	C	S	.	.	S	Bend	trans	-78.9	-22.6	-178.5	172.2	0	0	0	0	111.8	L606 L614 L648 P649 L663 C667	L606-V676 HydrophobicContact CD1-CB 4.05Å; L606-V676 HydrophobicContact CD1-CG1 3.83Å; L614-V676 HydrophobicContact CD1-CG1 3.62Å; L614-V676 HydrophobicContact CD2-CG1 3.79Å; L614-V676 HydrophobicContact CG-CG1 4.36Å; L648-V676 HydrophobicContact CD1-CG2 3.86Å; L648-V676 HydrophobicContact CD2-CG1 4.02Å; L648-V676 HydrophobicContact CD2-CG2 4.07Å; L648-V676 HydrophobicContact CG-CG2 4.4Å; P649-V676 WeakPolarHBondContact CG-O 3.39Å; L663-V676 HydrophobicContact CD1-CG1 4.27Å; L663-V676 HydrophobicContact CD2-CB 4.29Å; L663-V676 HydrophobicContact CD2-CG2 3.8Å; C667-V676 PolarHBondContact O-N 3.29Å
677	L	81.2	Confident	68.8	Low	82 Å²	82	93.4 Å²	93.4	43%	0.429	56%	0.564	S	S	.	*	S	Bend	trans	-99.8	109.5	163	-59.1	-177.5	0	0	0	108.4	L606 Q610 P675	L606-L677 HydrophobicContact CD1-CG 4.34Å; L606-L677 HydrophobicContact CD2-CD1 3.68Å; L606-L677 HydrophobicContact CD2-CG 3.87Å; Q610-L677 HydrophobicContact CG-CD1 4.39Å; P675-L677 VanDerWaalsContact C-N 3.34Å
678	G	59.7	Low	67.7	Low	54 Å²	54	96.6 Å²	96.6	56%	0.557	58%	0.582	S	S	*	*			trans	-72.7	133.6	-177.5	0	0	0	0	0	112.6	N680	G678-N680 PolarHBondContact O-N 3.11Å
679	S	44.5	Very low	66.3	Low	102 Å²	102	99.8 Å²	99.8	71%	0.713	60%	0.601	S	S	*	*			trans	-77.1	55.2	176.8	56.8	0	0	0	0	112.7	I681	S679-I681 PolarHBondContact O-N 3.33Å
680	N	40.1	Very low	64.7	Low	156 Å²	156	106 Å²	106	83%	0.834	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	40.6	-177.5	-76.3	6.9	0	0	0	113.5	G678	G678-N680 PolarHBondContact O-N 3.11Å
681	I	40.9	Very low	62.8	Low	169 Å²	169	110.7 Å²	110.7	87%	0.867	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	-14.2	-178.4	-62.5	-179.6	0	0	0	111.8	S679	S679-I681 PolarHBondContact O-N 3.33Å
682	A	37.5	Very low	60.8	Low	84 Å²	84	112.4 Å²	112.4	69%	0.694	68%	0.682	S	S	*	*	S	Bend	trans	-113.9	83	176.5	0	0	0	0	0	111.4
683	N	37	Very low	58.4	Low	163 Å²	163	117.7 Å²	117.7	87%	0.872	71%	0.711	S	S	*	*	S	Bend	trans	170.3	57.1	155.3	-88.8	-14.7	0	0	0	110.5
684	N	32.8	Very low	55.8	Low	175 Å²	175	110.1 Å²	110.1	94%	0.936	71%	0.705	S	S	*	*			trans	-155.7	84.2	168.1	-92	-45.7	0	0	0	107.9
685	G	32	Very low	52.9	Low	154 Å²	154	109.5 Å²	109.5	100%	1.588	72%	0.719	S	S	*	*			trans	177.2	0	-176.2	0	0	0	0	0	109.6

Retrieved 685 of 685 residues in 1126.8 ms (Link to these results)

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