A0A2H4UCT2_SCHMA Loading...

Voltage-operated calcium channel beta subunit

AlphaFold DB , UniProt , Accession A0A2H4UCT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene CavBcon, Length 594 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.9	Very low	48.8	Very low	237 Å²	237	145.7 Å²	145.7	100%	1.167	87%	0.868	S	S	*	*				0	102	0	-63.1	173.8	178.9	0	0	104.7
2	A	50.1	Low	48.8	Very low	108 Å²	108	151.3 Å²	151.3	89%	0.893	87%	0.874	S	S	*	*				74	117	77.4	0	0	0	0	0	110.6
3	G	47.1	Very low	48.8	Very low	78 Å²	78	145.9 Å²	145.9	80%	0.804	86%	0.858	S	S	*	*			cis	-152.5	-162.8	-3.6	0	0	0	0	0	109.8
4	D	53.6	Low	48.6	Very low	164 Å²	164	140.9 Å²	140.9	88%	0.877	85%	0.853	S	S	*	*			cis	-155.7	164.4	-4	-166.6	7.7	0	0	0	109
5	R	46.5	Very low	48.4	Very low	246 Å²	246	140.9 Å²	140.9	93%	0.928	85%	0.846	S	S	*	*			trans	-140.3	115.8	176.2	-86.6	-171.3	176	-179.6	-1.3	112.6
6	G	47.8	Very low	48.3	Very low	72 Å²	72	141.8 Å²	141.8	74%	0.742	85%	0.845	S	S	*	*			trans	-155.4	156.9	163.3	0	0	0	0	0	108.7
7	Y	49.6	Very low	48.2	Very low	238 Å²	238	141.5 Å²	141.5	93%	0.933	83%	0.831	S	S	*	*			cis	-137.2	173.8	21.6	-125.2	-103.9	0	0	0	112.7
8	S	49.4	Very low	48.6	Very low	110 Å²	110	143.6 Å²	143.6	77%	0.769	83%	0.831	S	S	*	*			trans	-114	153.3	-173.8	57.6	0	0	0	0	114.2
9	G	49.5	Very low	48.8	Very low	75 Å²	75	141.8 Å²	141.8	77%	0.773	81%	0.814	S	S	*	*			trans	127	145.5	164	0	0	0	0	0	113.4
10	S	51.4	Low	49.1	Very low	117 Å²	117	143.8 Å²	143.8	82%	0.818	81%	0.809	S	S	*	*			cis	-160.3	156	-5	52.4	0	0	0	0	110.8
11	D	47.3	Very low	49.3	Very low	158 Å²	158	144.1 Å²	144.1	85%	0.845	81%	0.809	S	S	*	*			trans	-71.2	145.6	-172.3	-40.9	-99.4	0	0	0	114.6
12	F	49.7	Very low	49.6	Very low	213 Å²	213	140.2 Å²	140.2	93%	0.934	79%	0.793	S	S	*	*			trans	-153.2	146.1	136.8	-145.6	-97	0	0	0	111.5
13	A	49	Very low	49.8	Very low	81 Å²	81	144.2 Å²	144.2	67%	0.669	79%	0.793	S	S	*	*			trans	-103.7	155.8	-174.1	0	0	0	0	0	113.2
14	G	46	Very low	50.3	Low	76 Å²	76	149.9 Å²	149.9	78%	0.784	80%	0.799	S	S	*	*			trans	-158.1	121.5	170.8	0	0	0	0	0	109.6
15	N	45.6	Very low	50.3	Low	140 Å²	140	151.9 Å²	151.9	75%	0.749	80%	0.795	S	S	*	*			trans	-100.8	174.6	-168	-63.6	-1	0	0	0	113.2
16	N	46.3	Very low	50.8	Low	155 Å²	155	146 Å²	146	83%	0.829	79%	0.791	S	S	*	*			trans	81.2	155.3	158.4	-67.4	14.1	0	0	0	118
17	F	46.6	Very low	50.8	Low	138 Å²	138	148.9 Å²	148.9	61%	0.605	79%	0.789	S	S	*	*			cis	178.1	137.5	-28	169.3	-95.7	0	0	0	107.4	E19	F17-E19 HydrophobicContact CE1-CB 4.14Å; F17-E19 HydrophobicContact CE2-CB 4.49Å; F17-E19 HydrophobicContact CZ-CB 3.92Å; F17-E19 VanDerWaalsContact CZ-CD 3.47Å; F17-E19 HydrophobicContact CZ-CG 4.21Å
18	E	55.3	Low	50.9	Low	178 Å²	178	148.9 Å²	148.9	83%	0.832	79%	0.787	S	S	*	*			trans	153.9	116.6	166.7	-91.2	154.5	-151.6	0	0	104.7
19	E	52.5	Low	51	Low	111 Å²	111	147.3 Å²	147.3	52%	0.519	78%	0.78	S	S	.	*			cis	63.7	122.2	38	-141.6	-177.5	-123.5	0	0	110.1	F17	F17-E19 HydrophobicContact CE1-CB 4.14Å; F17-E19 HydrophobicContact CE2-CB 4.49Å; F17-E19 HydrophobicContact CZ-CB 3.92Å; F17-E19 VanDerWaalsContact CZ-CD 3.47Å; F17-E19 HydrophobicContact CZ-CG 4.21Å
20	Y	54.8	Low	51.2	Low	181 Å²	181	151 Å²	151	71%	0.71	78%	0.783	S	S	*	*			cis	-120.9	-175.6	15.6	-69.8	-107.2	0	0	0	110
21	D	52.8	Low	51.5	Low	151 Å²	151	153.2 Å²	153.2	81%	0.807	79%	0.785	S	S	*	*			cis	-151.9	172.8	8.5	-122.5	-29.6	0	0	0	108.8
22	D	51.8	Low	52	Low	154 Å²	154	153.4 Å²	153.4	82%	0.824	79%	0.786	S	S	*	*			trans	-110.1	169.9	-176.9	-84.7	-59.4	0	0	0	115.4
23	E	53.8	Low	52.3	Low	193 Å²	193	151 Å²	151	90%	0.902	78%	0.783	S	S	*	*			trans	69.6	106.3	162.8	-58.9	-161.5	-132	0	0	121.7
24	E	56.2	Low	52.6	Low	197 Å²	197	154.7 Å²	154.7	92%	0.921	79%	0.792	S	S	*	*				-149.1	146.4	117.5	-165.5	162.5	-143.1	0	0	110.5
25	Y	55	Low	53.2	Low	206 Å²	206	159.1 Å²	159.1	81%	0.808	80%	0.797	S	S	*	*			trans	-110.8	118.3	-167.3	-161.5	-80.5	0	0	0	110.9
26	C	56.1	Low	53.8	Low	123 Å²	123	161.7 Å²	161.7	83%	0.831	81%	0.805	S	S	*	*			trans	-146.3	131.9	175.9	-96.6	0	0	0	0	111.6
27	D	48.8	Very low	54.2	Low	131 Å²	131	162.2 Å²	162.2	70%	0.701	80%	0.802	S	S	*	*			trans	-73.1	142.3	-174.7	-49	-89.8	0	0	0	114.2
28	R	52.2	Low	54.6	Low	239 Å²	239	163.9 Å²	163.9	90%	0.902	81%	0.812	S	S	*	*			trans	-160.4	118.3	138.1	-108.4	171.7	-158.1	77.7	-3.2	109.1
29	A	50.4	Low	54.8	Low	76 Å²	76	161.8 Å²	161.8	63%	0.628	81%	0.806	S	S	*	*			trans	-97.9	-179.4	156.7	0	0	0	0	0	108.3
30	D	53.7	Low	55.2	Low	153 Å²	153	163.5 Å²	163.5	82%	0.818	82%	0.819	S	S	*	*			trans	70.2	97.1	165.1	-40.9	-34	0	0	0	115.7
31	D	57.1	Low	55.7	Low	163 Å²	163	159.7 Å²	159.7	87%	0.872	81%	0.811	S	S	*	*			trans	-159.6	158.3	157	-89.6	-42.6	0	0	0	107
32	D	57.8	Low	56.7	Low	163 Å²	163	158 Å²	158	87%	0.872	80%	0.798	S	S	*	*	S	Bend	trans	73.5	47.7	174.5	-56.7	-18.3	0	0	0	119.7
33	D	56.2	Low	57.8	Low	162 Å²	162	155.5 Å²	155.5	87%	0.866	79%	0.785	S	S	*	*			trans	-149.8	64.9	167.2	-107.2	-29.3	0	0	0	111.3
34	D	56.5	Low	59	Low	158 Å²	158	151.6 Å²	151.6	85%	0.845	77%	0.771	S	S	*	*			trans	-156.9	22.9	-177	-115.3	-18.4	0	0	0	117
35	D	58	Low	60.1	Low	169 Å²	169	149.4 Å²	149.4	90%	0.904	76%	0.755	S	S	*	*			trans	-91.7	8.8	-172.4	-91	-15.6	0	0	0	116
36	E	57.1	Low	61.5	Low	194 Å²	194	144 Å²	144	91%	0.907	74%	0.735	S	S	*	*	S	Bend	trans	-104.8	0.1	-174.1	-73.5	-165.4	176.3	0	0	116.3
37	E	55.4	Low	62.9	Low	167 Å²	167	143 Å²	143	78%	0.78	72%	0.719	S	S	*	*	S	Bend	trans	-96.2	-6.6	179.7	-65.9	-155.1	167.2	0	0	115.9
38	E	55.8	Low	64.5	Low	173 Å²	173	141.4 Å²	141.4	81%	0.808	71%	0.707	S	S	*	*	H	α-helix	trans	-74.6	-24.3	179.8	-67.8	-159.7	152.3	0	0	114.6	E42	E38-E42 PolarHBondContact O-N 3.28Å
39	D	58.3	Low	66.2	Low	133 Å²	133	134.9 Å²	134.9	71%	0.711	69%	0.69	S	S	*	*	H	α-helix	trans	-71.3	-36.8	-174.9	-99.2	-15.8	0	0	0	113.3	E42 D43	D39-E42 PolarHBondContact O-N 3.1Å; D39-D43 PolarHBondContact O-N 2.87Å
40	D	61.4	Low	68	Low	147 Å²	147	133.5 Å²	133.5	79%	0.786	68%	0.679	S	S	*	*	H	α-helix	trans	-69.6	-38.1	-178.2	-102.9	-4.8	0	0	0	111.6	D43 D44	D40-D43 PolarHBondContact O-N 3.37Å; D40-D44 PolarHBondContact O-N 3.42Å
41	D	66.3	Low	69.5	Low	101 Å²	101	134 Å²	134	54%	0.54	67%	0.669	S	S	.	*	H	α-helix	trans	-62.6	-42.1	173.7	-104.1	2.6	0	0	0	110.9	D43 D44 Y45	D41-D43 VanDerWaalsContact C-N 3.28Å; D41-D43 PolarHBondContact O-N 2.96Å; D41-D44 PolarHBondContact O-N 3.28Å; D41-Y45 HydrophobicContact CB-CE2 4.3Å; D41-Y45 WeakPolarHBondContact O-CD2 3.5Å; D41-Y45 PolarHBondContact O-N 3.47Å
42	E	71.9	Confident	71	Confident	115 Å²	115	131.3 Å²	131.3	54%	0.537	65%	0.651	S	S	.	*	H	α-helix	trans	-65.7	-30.9	-176.4	-141.8	-156.7	-136.7	0	0	112.1	E38 D39 K46	E38-E42 PolarHBondContact O-N 3.28Å; D39-E42 PolarHBondContact O-N 3.1Å; E42-K46 VanDerWaalsContact O-CD 3.27Å; E42-K46 WeakPolarHBondContact O-CD 3.27Å; E42-K46 WeakPolarHBondContact O-CE 3.37Å; E42-K46 WeakPolarHBondContact O-CG 3.37Å; E42-K46 PolarHBondContact O-N 3.32Å; E42-K46 PolarHBondContact O-NZ 3.18Å; E42-K46 VanDerWaalsContact O-NZ 3.11Å; E42-K46 WeakPolarHBondContact OE2-CE 3.35Å; E42-K46 IonicContact OE2-NZ 2.79Å; E42-K46 PolarHBondContact OE2-NZ 3.44Å
43	D	76.7	Confident	72.5	Confident	103 Å²	103	128.5 Å²	128.5	55%	0.551	63%	0.633	S	S	*	*	H	α-helix	trans	-80	-33.9	176.6	-98.2	21.8	0	0	0	113.6	D39 D40 D41 K46 E47	D39-D43 PolarHBondContact O-N 2.87Å; D40-D43 PolarHBondContact O-N 3.37Å; D41-D43 VanDerWaalsContact C-N 3.28Å; D41-D43 PolarHBondContact O-N 2.96Å; D43-K46 PolarHBondContact O-N 3.1Å; D43-K46 WeakPolarHBondContact OD1-CD 3.47Å; D43-K46 IonicContact OD1-NZ 2.82Å; D43-K46 PolarHBondContact OD1-NZ 3.21Å; D43-E47 PolarHBondContact O-N 3.37Å
44	D	77.5	Confident	74.1	Confident	111 Å²	111	124.2 Å²	124.2	59%	0.594	61%	0.612	S	S	*	*	H	α-helix	trans	-66.8	-39.3	171.2	-165.6	40.2	0	0	0	111.1	D40 D41 K46 E47 E48	D40-D44 PolarHBondContact O-N 3.42Å; D41-D44 PolarHBondContact O-N 3.28Å; D44-K46 VanDerWaalsContact C-N 3.31Å; D44-K46 PolarHBondContact O-N 3.33Å; D44-E47 PolarHBondContact O-N 2.91Å; D44-E48 PolarHBondContact O-N 2.99Å
45	Y	80.7	Confident	75.8	Confident	150 Å²	150	118.9 Å²	118.9	59%	0.588	58%	0.583	S	S	*	*	H	α-helix	trans	-60.2	-37.8	172	-74.4	-50.8	0	0	0	113	D41 N49	D41-Y45 HydrophobicContact CB-CE2 4.3Å; D41-Y45 WeakPolarHBondContact O-CD2 3.5Å; D41-Y45 PolarHBondContact O-N 3.47Å; Y45-N49 VanDerWaalsContact O-CB 3.25Å; Y45-N49 WeakPolarHBondContact O-CB 3.42Å; Y45-N49 PolarHBondContact O-N 3.22Å
46	K	84.4	Confident	77.5	Confident	93 Å²	93	116.7 Å²	116.7	40%	0.404	57%	0.567	S	S	.	*	H	α-helix	trans	-67.6	-42.1	175	-69.8	160.6	-151.3	133	0	111.3	E42 D43 D44 A50	E42-K46 VanDerWaalsContact O-CD 3.27Å; E42-K46 WeakPolarHBondContact O-CD 3.27Å; E42-K46 WeakPolarHBondContact O-CE 3.37Å; E42-K46 WeakPolarHBondContact O-CG 3.37Å; E42-K46 PolarHBondContact O-N 3.32Å; E42-K46 PolarHBondContact O-NZ 3.18Å; E42-K46 VanDerWaalsContact O-NZ 3.11Å; E42-K46 WeakPolarHBondContact OE2-CE 3.35Å; E42-K46 IonicContact OE2-NZ 2.79Å; E42-K46 PolarHBondContact OE2-NZ 3.44Å; D43-K46 PolarHBondContact O-N 3.1Å; D43-K46 WeakPolarHBondContact OD1-CD 3.47Å; D43-K46 IonicContact OD1-NZ 2.82Å; D43-K46 PolarHBondContact OD1-NZ 3.21Å; D44-K46 VanDerWaalsContact C-N 3.31Å; D44-K46 PolarHBondContact O-N 3.33Å; K46-A50 WeakPolarHBondContact O-CB 3.5Å; K46-A50 PolarHBondContact O-N 2.99Å
47	E	83.8	Confident	79.2	Confident	102 Å²	102	111.7 Å²	111.7	48%	0.477	54%	0.543	S	S	.	.	H	α-helix	trans	-68.8	-42.6	177.3	-168.2	174.6	158.7	0	0	111.9	D43 D44 A50 R51	D43-E47 PolarHBondContact O-N 3.37Å; D44-E47 PolarHBondContact O-N 2.91Å; E47-A50 PolarHBondContact O-N 2.72Å; E47-R51 HydrophobicContact CG-CG 4.38Å; E47-R51 WeakPolarHBondContact O-CB 3.35Å; E47-R51 VanDerWaalsContact O-CG 3.24Å; E47-R51 WeakPolarHBondContact O-CG 3.22Å; E47-R51 PolarHBondContact O-N 3.13Å; E47-R51 IonicContact OE1-CZ 2.68Å; E47-R51 IonicContact OE1-NE 3.49Å; E47-R51 PolarHBondContact OE1-NE 3.26Å; E47-R51 IonicContact OE1-NH2 3.31Å; E47-R51 PolarHBondContact OE1-NH2 2.94Å
48	E	83.9	Confident	81.1	Confident	97 Å²	97	103.7 Å²	103.7	45%	0.453	51%	0.506	S	S	.	.	H	α-helix	trans	-62.2	-46.8	177	-152.8	-148.3	157.2	0	0	111.1	D44 A50 R51 Q52	D44-E48 PolarHBondContact O-N 2.99Å; E48-A50 VanDerWaalsContact C-N 3.34Å; E48-A50 PolarHBondContact O-N 3.49Å; E48-R51 WeakPolarHBondContact O-CB 3.3Å; E48-R51 PolarHBondContact O-N 3.39Å; E48-R51 VanDerWaalsContact O-N 3.13Å; E48-Q52 VanDerWaalsContact CD-NE2 3.31Å; E48-Q52 WeakPolarHBondContact O-CG 3.34Å; E48-Q52 PolarHBondContact O-N 3.04Å; E48-Q52 PolarHBondContact OE1-NE2 3.31Å
49	N	87	Confident	82.9	Confident	103 Å²	103	102.1 Å²	102.1	55%	0.551	49%	0.493	S	S	*	.	H	α-helix	trans	-62	-39.6	177.3	-179	73.9	0	0	0	112.2	Y45 R51 Q52 E53	Y45-N49 VanDerWaalsContact O-CB 3.25Å; Y45-N49 WeakPolarHBondContact O-CB 3.42Å; Y45-N49 PolarHBondContact O-N 3.22Å; N49-R51 VanDerWaalsContact C-N 3.34Å; N49-R51 PolarHBondContact O-N 2.89Å; N49-Q52 PolarHBondContact O-N 3.44Å; N49-E53 PolarHBondContact O-N 3.25Å
50	A	87.8	Confident	84.6	Confident	47 Å²	47	101.1 Å²	101.1	39%	0.388	49%	0.485	S	S	.	.	H	α-helix	trans	-65.6	-35	174.4	0	0	0	0	0	112.9	K46 E47 E48 T54	K46-A50 WeakPolarHBondContact O-CB 3.5Å; K46-A50 PolarHBondContact O-N 2.99Å; E47-A50 PolarHBondContact O-N 2.72Å; E48-A50 VanDerWaalsContact C-N 3.34Å; E48-A50 PolarHBondContact O-N 3.49Å; A50-T54 WeakPolarHBondContact O-CB 3.2Å; A50-T54 PolarHBondContact O-N 3.19Å; A50-T54 VanDerWaalsContact O-N 3.08Å; A50-T54 PolarHBondContact O-OG1 2.86Å
51	R	85.6	Confident	86.2	Confident	162 Å²	162	96.6 Å²	96.6	61%	0.611	46%	0.461	S	S	*	.	H	α-helix	trans	-67.5	-44.9	172.3	-71.2	165	171.4	-146.2	10.4	111.3	E47 E48 N49 T54 E55	E47-R51 HydrophobicContact CG-CG 4.38Å; E47-R51 WeakPolarHBondContact O-CB 3.35Å; E47-R51 VanDerWaalsContact O-CG 3.24Å; E47-R51 WeakPolarHBondContact O-CG 3.22Å; E47-R51 PolarHBondContact O-N 3.13Å; E47-R51 IonicContact OE1-CZ 2.68Å; E47-R51 IonicContact OE1-NE 3.49Å; E47-R51 PolarHBondContact OE1-NE 3.26Å; E47-R51 IonicContact OE1-NH2 3.31Å; E47-R51 PolarHBondContact OE1-NH2 2.94Å; E48-R51 WeakPolarHBondContact O-CB 3.3Å; E48-R51 PolarHBondContact O-N 3.39Å; E48-R51 VanDerWaalsContact O-N 3.13Å; N49-R51 VanDerWaalsContact C-N 3.34Å; N49-R51 PolarHBondContact O-N 2.89Å; R51-T54 PolarHBondContact O-N 3Å; R51-E55 PolarHBondContact O-N 3.42Å
52	Q	89	Confident	87.5	Confident	108 Å²	108	92 Å²	92	51%	0.505	44%	0.436	S	S	.	.	H	α-helix	trans	-62.7	-45.2	177	-70.6	-172.1	25.3	0	0	112	E48 N49 T54 E55 E56	E48-Q52 VanDerWaalsContact CD-NE2 3.31Å; E48-Q52 WeakPolarHBondContact O-CG 3.34Å; E48-Q52 PolarHBondContact O-N 3.04Å; E48-Q52 PolarHBondContact OE1-NE2 3.31Å; N49-Q52 PolarHBondContact O-N 3.44Å; Q52-T54 VanDerWaalsContact C-N 3.32Å; Q52-T54 PolarHBondContact O-N 3.22Å; Q52-E55 PolarHBondContact O-N 3Å; Q52-E56 PolarHBondContact O-N 3.38Å
53	E	89.8	Confident	88.5	Confident	104 Å²	104	91.8 Å²	91.8	49%	0.486	44%	0.435	S	S	.	.	H	α-helix	trans	-61.7	-42.3	175.6	-162.2	-161.6	152.3	0	0	111	N49 E55 E56 Q57	N49-E53 PolarHBondContact O-N 3.25Å; E53-E55 VanDerWaalsContact C-N 3.32Å; E53-E55 PolarHBondContact O-N 3.22Å; E53-E56 PolarHBondContact O-N 2.98Å; E53-Q57 WeakPolarHBondContact O-CB 3.36Å; E53-Q57 WeakPolarHBondContact O-CG 3.31Å; E53-Q57 PolarHBondContact O-N 3.32Å; E53-Q57 PolarHBondContact OE1-NE2 3.4Å
54	T	89	Confident	89.3	Confident	71 Å²	71	91.3 Å²	91.3	44%	0.436	43%	0.428	S	S	.	.	H	α-helix	trans	-60.9	-40.4	176.2	-61.1	0	0	0	0	111.7	A50 R51 Q52 A58	A50-T54 WeakPolarHBondContact O-CB 3.2Å; A50-T54 PolarHBondContact O-N 3.19Å; A50-T54 VanDerWaalsContact O-N 3.08Å; A50-T54 PolarHBondContact O-OG1 2.86Å; R51-T54 PolarHBondContact O-N 3Å; Q52-T54 VanDerWaalsContact C-N 3.32Å; Q52-T54 PolarHBondContact O-N 3.22Å; T54-A58 VanDerWaalsContact O-CB 3.28Å; T54-A58 WeakPolarHBondContact O-CB 3.4Å; T54-A58 PolarHBondContact O-N 2.84Å
55	E	93	Very high	90.1	Very high	47 Å²	47	86 Å²	86	22%	0.22	40%	0.4	C	S	.	.	H	α-helix	trans	-67	-42.6	174.6	-173.2	177	171.3	0	0	111.8	R51 Q52 E53 Q57 A58 R59 V90 P91	R51-E55 PolarHBondContact O-N 3.42Å; Q52-E55 PolarHBondContact O-N 3Å; E53-E55 VanDerWaalsContact C-N 3.32Å; E53-E55 PolarHBondContact O-N 3.22Å; E55-Q57 PolarHBondContact O-N 3.16Å; E55-A58 CarbonylContact O-C 3.58Å; E55-A58 WeakPolarHBondContact O-CB 3.31Å; E55-A58 PolarHBondContact O-N 3.27Å; E55-A58 VanDerWaalsContact O-N 3.17Å; E55-R59 HydrophobicContact CG-CG 4.28Å; E55-R59 WeakPolarHBondContact O-CG 3.27Å; E55-R59 PolarHBondContact O-N 2.91Å; E55-R59 IonicContact OE1-CZ 2.9Å; E55-R59 IonicContact OE1-NE 2.7Å; E55-R59 PolarHBondContact OE1-NE 3.46Å; E55-R59 IonicContact OE1-NH2 3.17Å; E55-R59 PolarHBondContact OE1-NH2 2.94Å; E55-R59 IonicContact OE2-NH2 2.68Å; E55-V90 HydrophobicContact CG-CB 4.45Å; E55-V90 HydrophobicContact CG-CG1 4.43Å; E55-V90 HydrophobicContact CG-CG2 4.11Å; E55-V90 WeakPolarHBondContact OE1-CG1 3.46Å; E55-P91 WeakPolarHBondContact OE1-CD 3.49Å
56	E	93.2	Very high	90.6	Very high	123 Å²	123	82.8 Å²	82.8	58%	0.575	39%	0.389	S	S	*	.	H	α-helix	trans	-63.4	-44.1	177.9	-170.5	173.9	-159.3	0	0	111.5	Q52 E53 A58 R59 M60	Q52-E56 PolarHBondContact O-N 3.38Å; E53-E56 PolarHBondContact O-N 2.98Å; E56-A58 VanDerWaalsContact C-N 3.29Å; E56-A58 PolarHBondContact O-N 3.3Å; E56-R59 PolarHBondContact O-N 3.32Å; E56-M60 HydrophobicContact CG-CE 4.32Å; E56-M60 WeakPolarHBondContact O-CG 3.33Å; E56-M60 PolarHBondContact O-N 3.31Å
57	Q	92.3	Very high	90.9	Very high	88 Å²	88	83.2 Å²	83.2	41%	0.411	40%	0.4	S	S	.	.	H	α-helix	trans	-58	-41.5	172.2	-69.2	-176.2	24.7	0	0	111.8	E53 E55 M60 L61	E53-Q57 WeakPolarHBondContact O-CB 3.36Å; E53-Q57 WeakPolarHBondContact O-CG 3.31Å; E53-Q57 PolarHBondContact O-N 3.32Å; E53-Q57 PolarHBondContact OE1-NE2 3.4Å; E55-Q57 PolarHBondContact O-N 3.16Å; Q57-M60 HydrophobicContact CG-CE 4.38Å; Q57-M60 PolarHBondContact O-N 3.47Å; Q57-L61 WeakPolarHBondContact O-CG 3.45Å; Q57-L61 PolarHBondContact O-N 2.98Å
58	A	94.8	Very high	91.3	Very high	0 Å²	0	80 Å²	80	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-65.9	-41.6	176.7	0	0	0	0	0	112.5	T54 E55 E56 L61 L62 P89 V90 F109 F127	T54-A58 VanDerWaalsContact O-CB 3.28Å; T54-A58 WeakPolarHBondContact O-CB 3.4Å; T54-A58 PolarHBondContact O-N 2.84Å; E55-A58 CarbonylContact O-C 3.58Å; E55-A58 WeakPolarHBondContact O-CB 3.31Å; E55-A58 PolarHBondContact O-N 3.27Å; E55-A58 VanDerWaalsContact O-N 3.17Å; E56-A58 VanDerWaalsContact C-N 3.29Å; E56-A58 PolarHBondContact O-N 3.3Å; A58-L61 PolarHBondContact O-N 3.41Å; A58-L62 WeakPolarHBondContact O-CB 3.35Å; A58-L62 PolarHBondContact O-N 3.18Å; A58-P89 HydrophobicContact CB-CB 3.85Å; A58-P89 WeakPolarHBondContact CB-O 3.34Å; A58-V90 HydrophobicContact CB-CG2 3.64Å; A58-F109 HydrophobicContact CB-CE2 3.73Å; A58-F109 HydrophobicContact CB-CZ 3.75Å; A58-F127 HydrophobicContact CB-CE1 4.49Å; A58-F127 HydrophobicContact CB-CZ 3.87Å
59	R	95.1	Very high	91.6	Very high	140 Å²	140	84 Å²	84	53%	0.528	40%	0.404	S	S	.	.	H	α-helix	trans	-62.1	-45.1	173.3	-70.9	173.6	179.5	-169.4	4.2	111.5	E55 E56 L62 E63 V90	E55-R59 HydrophobicContact CG-CG 4.28Å; E55-R59 WeakPolarHBondContact O-CG 3.27Å; E55-R59 PolarHBondContact O-N 2.91Å; E55-R59 IonicContact OE1-CZ 2.9Å; E55-R59 IonicContact OE1-NE 2.7Å; E55-R59 PolarHBondContact OE1-NE 3.46Å; E55-R59 IonicContact OE1-NH2 3.17Å; E55-R59 PolarHBondContact OE1-NH2 2.94Å; E55-R59 IonicContact OE2-NH2 2.68Å; E56-R59 PolarHBondContact O-N 3.32Å; R59-L62 WeakPolarHBondContact O-CB 3.46Å; R59-L62 PolarHBondContact O-N 3.2Å; R59-E63 PolarHBondContact O-N 3.08Å; R59-E63 VanDerWaalsContact O-N 3.1Å; R59-V90 HydrophobicContact CB-CG2 4.48Å; R59-V90 HydrophobicContact CG-CB 4.46Å; R59-V90 HydrophobicContact CG-CG1 3.87Å; R59-V90 HydrophobicContact CG-CG2 3.65Å
60	M	94	Very high	91.9	Very high	112 Å²	112	80.2 Å²	80.2	55%	0.552	39%	0.385	S	S	*	.	H	α-helix	trans	-61.2	-45.1	177.1	-75.3	-166.5	-75.7	0	0	112.6	E56 Q57 L62 E63 K64	E56-M60 HydrophobicContact CG-CE 4.32Å; E56-M60 WeakPolarHBondContact O-CG 3.33Å; E56-M60 PolarHBondContact O-N 3.31Å; Q57-M60 HydrophobicContact CG-CE 4.38Å; Q57-M60 PolarHBondContact O-N 3.47Å; M60-L62 VanDerWaalsContact C-N 3.27Å; M60-L62 PolarHBondContact O-N 3.05Å; M60-E63 PolarHBondContact O-N 3.3Å; M60-K64 PolarHBondContact O-N 3.28Å; M60-K64 VanDerWaalsContact O-N 3.13Å
61	L	94.1	Very high	92.2	Very high	52 Å²	52	83 Å²	83	27%	0.272	40%	0.396	S	S	.	.	H	α-helix	trans	-64	-33.4	175.4	-73.3	174.8	0	0	0	112.1	Q57 A58 K64 A65 F109 I115	Q57-L61 WeakPolarHBondContact O-CG 3.45Å; Q57-L61 PolarHBondContact O-N 2.98Å; A58-L61 PolarHBondContact O-N 3.41Å; L61-K64 HydrophobicContact CD2-CD 4.18Å; L61-K64 PolarHBondContact O-N 3.01Å; L61-A65 WeakPolarHBondContact O-CB 3.49Å; L61-A65 PolarHBondContact O-N 3.43Å; L61-F109 HydrophobicContact CD1-CD2 3.73Å; L61-F109 HydrophobicContact CD1-CE2 3.93Å; L61-I115 HydrophobicContact CB-CD1 3.87Å
62	L	94.5	Very high	92.7	Very high	4 Å²	4	78.4 Å²	78.4	2%	0.021	38%	0.381	C	S	.	.	H	α-helix	trans	-67.6	-42.1	177.9	-170.2	60.8	0	0	0	112.7	A58 R59 M60 A65 K66 M93 I115 V125 F127	A58-L62 WeakPolarHBondContact O-CB 3.35Å; A58-L62 PolarHBondContact O-N 3.18Å; R59-L62 WeakPolarHBondContact O-CB 3.46Å; R59-L62 PolarHBondContact O-N 3.2Å; M60-L62 VanDerWaalsContact C-N 3.27Å; M60-L62 PolarHBondContact O-N 3.05Å; L62-A65 PolarHBondContact O-N 2.79Å; L62-K66 PolarHBondContact O-N 2.77Å; L62-M93 HydrophobicContact CD2-CB 4.22Å; L62-M93 HydrophobicContact CD2-CE 3.64Å; L62-M93 HydrophobicContact CD2-CG 4.24Å; L62-I115 HydrophobicContact CD1-CG2 3.7Å; L62-V125 HydrophobicContact CD1-CB 4.12Å; L62-V125 HydrophobicContact CD1-CG1 3.71Å; L62-F127 HydrophobicContact CD1-CE2 4.5Å; L62-F127 HydrophobicContact CD2-CE2 4.05Å
63	E	93.2	Very high	93.1	Very high	110 Å²	110	73.4 Å²	73.4	51%	0.514	36%	0.358	S	S	.	.	H	α-helix	trans	-63.2	-46.1	173.2	-67.3	-54.2	135.5	0	0	111.8	R59 M60 A65 K66	R59-E63 PolarHBondContact O-N 3.08Å; R59-E63 VanDerWaalsContact O-N 3.1Å; M60-E63 PolarHBondContact O-N 3.3Å; E63-A65 PolarHBondContact O-N 3.33Å; E63-K66 WeakPolarHBondContact O-CB 3.08Å; E63-K66 PolarHBondContact O-N 3.44Å; E63-K66 VanDerWaalsContact O-N 3.13Å; E63-K66 WeakPolarHBondContact OE1-CE 3.45Å; E63-K66 IonicContact OE1-NZ 2.65Å; E63-K66 PolarHBondContact OE1-NZ 3.18Å; E63-K66 WeakPolarHBondContact OE2-CD 3.42Å; E63-K66 VanDerWaalsContact OE2-CE 3.32Å; E63-K66 WeakPolarHBondContact OE2-CE 3.31Å; E63-K66 IonicContact OE2-NZ 3.28Å; E63-K66 PolarHBondContact OE2-NZ 2.69Å
64	K	93.5	Very high	93.5	Very high	94 Å²	94	68.5 Å²	68.5	41%	0.409	34%	0.335	S	S	.	.	H	α-helix	trans	-55.9	-36.4	172.9	167.2	176.8	160.7	-105.7	0	112.4	M60 L61 K66 T67 S68 E107	M60-K64 PolarHBondContact O-N 3.28Å; M60-K64 VanDerWaalsContact O-N 3.13Å; L61-K64 HydrophobicContact CD2-CD 4.18Å; L61-K64 PolarHBondContact O-N 3.01Å; K64-K66 VanDerWaalsContact C-N 3.3Å; K64-K66 PolarHBondContact O-N 3.02Å; K64-T67 PolarHBondContact O-OG1 2.94Å; K64-S68 PolarHBondContact O-N 3.14Å; K64-S68 PolarHBondContact O-OG 2.94Å; K64-E107 IonicContact NZ-OE1 2.67Å; K64-E107 PolarHBondContact NZ-OE1 3.36Å; K64-E107 IonicContact NZ-OE2 2.7Å; K64-E107 PolarHBondContact NZ-OE2 2.8Å
65	A	93.7	Very high	93.9	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-71.2	-20.6	-179.5	0	0	0	0	0	114.2	L61 L62 E63 T67 S68 K106 I115 V125	L61-A65 WeakPolarHBondContact O-CB 3.49Å; L61-A65 PolarHBondContact O-N 3.43Å; L62-A65 PolarHBondContact O-N 2.79Å; E63-A65 PolarHBondContact O-N 3.33Å; A65-T67 PolarHBondContact O-N 2.71Å; A65-S68 PolarHBondContact O-N 3.1Å; A65-K106 HydrophobicContact CB-CB 4.06Å; A65-K106 HydrophobicContact CB-CG 4.39Å; A65-K106 WeakPolarHBondContact O-CE 3.49Å; A65-I115 HydrophobicContact CB-CB 4.4Å; A65-I115 HydrophobicContact CB-CG2 3.33Å; A65-V125 HydrophobicContact CB-CG1 3.94Å
66	K	91.9	Very high	94.1	Very high	81 Å²	81	64.2 Å²	64.2	35%	0.352	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-39.4	176.7	-65.2	177.6	-172	171.6	0	112.5	L62 E63 K64 V125	L62-K66 PolarHBondContact O-N 2.77Å; E63-K66 WeakPolarHBondContact O-CB 3.08Å; E63-K66 PolarHBondContact O-N 3.44Å; E63-K66 VanDerWaalsContact O-N 3.13Å; E63-K66 WeakPolarHBondContact OE1-CE 3.45Å; E63-K66 IonicContact OE1-NZ 2.65Å; E63-K66 PolarHBondContact OE1-NZ 3.18Å; E63-K66 WeakPolarHBondContact OE2-CD 3.42Å; E63-K66 VanDerWaalsContact OE2-CE 3.32Å; E63-K66 WeakPolarHBondContact OE2-CE 3.31Å; E63-K66 IonicContact OE2-NZ 3.28Å; E63-K66 PolarHBondContact OE2-NZ 2.69Å; K64-K66 VanDerWaalsContact C-N 3.3Å; K64-K66 PolarHBondContact O-N 3.02Å; K66-V125 HydrophobicContact CG-CB 4.29Å; K66-V125 HydrophobicContact CG-CG2 4.06Å
67	T	89.5	Confident	94.2	Very high	103 Å²	103	59.6 Å²	59.6	63%	0.632	29%	0.288	S	S	*	.	H	α-helix	trans	-93.2	-16.4	178	56.8	0	0	0	0	113.6	K64 A65	K64-T67 PolarHBondContact O-OG1 2.94Å; A65-T67 PolarHBondContact O-N 2.71Å
68	S	91.4	Very high	94.3	Very high	35 Å²	35	57.6 Å²	57.6	25%	0.245	28%	0.282	C	S	.	.	S	Bend	trans	-62.6	153.8	179.5	-69	0	0	0	0	113.4	K64 A65 K106	K64-S68 PolarHBondContact O-N 3.14Å; K64-S68 PolarHBondContact O-OG 2.94Å; A65-S68 PolarHBondContact O-N 3.1Å; S68-K106 WeakPolarHBondContact O-CD 3.15Å; S68-K106 PolarHBondContact O-NZ 3.34Å
69	K	91.6	Very high	94.3	Very high	180 Å²	180	59.7 Å²	59.7	78%	0.783	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-70.1	158.8	176.8	-67.2	-178.9	-180	177.1	0	111.2	K106	K69-K106 WeakPolarHBondContact O-CD 3.27Å
70	V	93.8	Very high	94.4	Very high	24 Å²	24	53.4 Å²	53.4	15%	0.145	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-77.7	126.2	169.7	-176.3	0	0	0	0	108	F72 V73 H104	V70-F72 WeakPolarHBondContact CG1-O 3.29Å; V70-V73 HydrophobicContact CG1-CG2 3.63Å; V70-H104 HydrophobicContact CG1-CB 4.07Å; V70-H104 HydrophobicContact CG2-CB 4.07Å
71	V	94.3	Very high	94.3	Very high	104 Å²	104	52.5 Å²	52.5	63%	0.63	27%	0.27	S	S	*	.			trans	-87.4	-46.8	-179.7	-178.1	0	0	0	0	110.2	I105 K106	V71-I105 PolarHBondContact N-O 3.24Å; V71-K106 WeakPolarHBondContact CG2-O 3.19Å
72	F	95.9	Very high	94.1	Very high	66 Å²	66	50.7 Å²	50.7	29%	0.289	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	168.5	172.4	65.9	-82.8	0	0	0	110.6	V70 V74 I105 W114	V70-F72 WeakPolarHBondContact CG1-O 3.29Å; F72-V74 HydrophobicContact CD2-CG1 3.88Å; F72-V74 HydrophobicContact CE2-CG1 3.72Å; F72-I105 HydrophobicContact CD1-CB 4.17Å; F72-I105 HydrophobicContact CD1-CG2 4.36Å; F72-I105 HydrophobicContact CD2-CB 4.38Å; F72-I105 HydrophobicContact CD2-CG1 4.13Å; F72-I105 HydrophobicContact CE1-CB 3.89Å; F72-I105 HydrophobicContact CE1-CG1 4.34Å; F72-I105 HydrophobicContact CE1-CG2 3.68Å; F72-I105 HydrophobicContact CE2-CB 4.12Å; F72-I105 HydrophobicContact CE2-CG1 3.68Å; F72-I105 HydrophobicContact CE2-CG2 4.48Å; F72-I105 HydrophobicContact CG-CB 4.41Å; F72-I105 HydrophobicContact CZ-CB 3.87Å; F72-I105 HydrophobicContact CZ-CG1 3.8Å; F72-I105 HydrophobicContact CZ-CG2 3.75Å; F72-I105 PolarHBondContact O-N 3.31Å; F72-W114 HydrophobicContact CE2-CE3 4.45Å; F72-W114 HydrophobicContact CE2-CH2 4.03Å; F72-W114 AromaticContact CE2-CZ3 3.81Å; F72-W114 HydrophobicContact CE2-CZ3 3.81Å; F72-W114 HydrophobicContact CZ-CD2 4.47Å; F72-W114 HydrophobicContact CZ-CE3 4.07Å; F72-W114 AromaticContact CZ-CH2 3.86Å; F72-W114 HydrophobicContact CZ-CH2 3.86Å; F72-W114 HydrophobicContact CZ-CZ2 4.28Å; F72-W114 AromaticContact CZ-CZ3 3.76Å; F72-W114 HydrophobicContact CZ-CZ3 3.76Å
73	V	97.2	Very high	93.7	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.7	179.1	-179.6	0	0	0	0	109.3	V70 L103 H104 V217	V70-V73 HydrophobicContact CG1-CG2 3.63Å; V73-L103 WeakPolarHBondContact CA-O 3.35Å; V73-L103 WeakPolarHBondContact CG1-O 3.49Å; V73-H104 WeakPolarHBondContact CG2-CD2 3.2Å; V73-V217 HydrophobicContact CB-CG2 4.15Å; V73-V217 HydrophobicContact CG1-CG2 3.68Å; V73-V217 PolarHBondContact O-N 3.25Å
74	V	97.6	Very high	93.1	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	148.7	174.7	-65.2	0	0	0	0	111.4	F72 F102 L103 I105 Y214 D215 V216	F72-V74 HydrophobicContact CD2-CG1 3.88Å; F72-V74 HydrophobicContact CE2-CG1 3.72Å; V74-F102 WeakPolarHBondContact O-CA 3.44Å; V74-L103 HydrophobicContact CG2-CB 3.81Å; V74-L103 HydrophobicContact CG2-CD1 4.2Å; V74-L103 HydrophobicContact CG2-CG 4.31Å; V74-L103 PolarHBondContact N-O 2.99Å; V74-L103 VanDerWaalsContact N-O 3.08Å; V74-L103 PolarHBondContact O-N 1.92Å; V74-I105 HydrophobicContact CG2-CD1 4.47Å; V74-Y214 HydrophobicContact CB-CD1 4.5Å; V74-Y214 HydrophobicContact CB-CG 4.22Å; V74-Y214 HydrophobicContact CG1-CG 4.43Å; V74-Y214 HydrophobicContact CG2-CD1 4.01Å; V74-Y214 HydrophobicContact CG2-CD2 4.47Å; V74-Y214 HydrophobicContact CG2-CG 3.99Å; V74-D215 CarbonylContact C-O 3.6Å; V74-D215 WeakPolarHBondContact CA-O 3.29Å; V74-D215 WeakPolarHBondContact CB-O 3.17Å; V74-V216 HydrophobicContact CG1-CG2 4.23Å
75	R	97.4	Very high	92.6	Very high	28 Å²	28	51 Å²	51	11%	0.106	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	133.8	160.7	-165.4	-161.6	72.8	-112.6	-6.1	109.1	N77 K100 D101 F102 D215 V217	R75-N77 PolarHBondContact NH2-OD1 2.94Å; R75-K100 WeakPolarHBondContact CG-O 3.34Å; R75-D101 CarbonylContact C-O 3.58Å; R75-D101 VanDerWaalsContact CA-O 3.27Å; R75-D101 WeakPolarHBondContact CA-O 3.49Å; R75-D101 WeakPolarHBondContact CG-O 3.3Å; R75-F102 HydrophobicContact CB-CD1 4.15Å; R75-F102 HydrophobicContact CB-CE1 3.95Å; R75-F102 HydrophobicContact CB-CZ 4.42Å; R75-F102 HydrophobicContact CG-CD1 4.24Å; R75-F102 HydrophobicContact CG-CE1 3.89Å; R75-F102 HydrophobicContact CG-CE2 4.18Å; R75-F102 HydrophobicContact CG-CZ 3.85Å; R75-D215 IonicContact CZ-OD2 3.42Å; R75-D215 PolarHBondContact N-O 3.12Å; R75-D215 IonicContact NH1-OD2 2.99Å; R75-D215 IonicContact NH2-OD2 3.59Å; R75-D215 PolarHBondContact NH2-OD2 3.13Å; R75-D215 PolarHBondContact O-N 2.9Å; R75-V217 HydrophobicContact CB-CG1 3.81Å
76	T	97.2	Very high	92.1	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	146.1	-179.9	68.5	0	0	0	0	111.7	F97 Q98 K100 D101 L103 Y214	T76-F97 HydrophobicContact CG2-CB 4.5Å; T76-F97 HydrophobicContact CG2-CD2 3.5Å; T76-F97 HydrophobicContact CG2-CE2 3.8Å; T76-F97 HydrophobicContact CG2-CG 4.04Å; T76-Q98 PolarHBondContact OG1-O 2.95Å; T76-K100 WeakPolarHBondContact O-CA 3.48Å; T76-K100 PolarHBondContact O-N 2.98Å; T76-K100 PolarHBondContact OG1-N 3.23Å; T76-K100 VanDerWaalsContact OG1-N 3.07Å; T76-D101 HydrophobicContact CG2-CB 4.17Å; T76-D101 PolarHBondContact N-O 2.71Å; T76-D101 PolarHBondContact OG1-N 2.98Å; T76-D101 PolarHBondContact OG1-O 2.83Å; T76-L103 HydrophobicContact CG2-CD1 3.89Å; T76-L103 HydrophobicContact CG2-CG 4.05Å; T76-Y214 HydrophobicContact CG2-CD1 4.23Å; T76-Y214 HydrophobicContact CG2-CE1 4.08Å
77	N	94.9	Very high	92	Very high	27 Å²	27	59 Å²	59	14%	0.144	33%	0.332	C	S	.	.	S	Bend	trans	-117.7	-4.4	170.9	-67.8	-42.7	0	0	0	112.2	R75 L211 P212 P213 D215	R75-N77 PolarHBondContact NH2-OD1 2.94Å; N77-L211 HydrophobicContact CB-CD2 3.79Å; N77-L211 HydrophobicContact CB-CG 4.1Å; N77-P212 WeakPolarHBondContact CB-O 3.21Å; N77-P212 PolarHBondContact ND2-O 3.24Å; N77-P213 PolarHBondContact N-O 3.21Å; N77-D215 VanDerWaalsContact ND2-CG 3.31Å; N77-D215 PolarHBondContact ND2-OD2 3Å; N77-D215 VanDerWaalsContact ND2-OD2 3.09Å
78	V	94.9	Very high	92.2	Very high	46 Å²	46	54.6 Å²	54.6	28%	0.279	31%	0.306	S	S	.	.	S	Bend	trans	-128.9	161.6	172.2	-62.5	0	0	0	0	109.6	F97 L134 P213	V78-F97 WeakPolarHBondContact O-CE2 3.32Å; V78-L134 HydrophobicContact CG2-CD1 4.04Å; V78-P213 HydrophobicContact CG1-CB 4.48Å; V78-P213 HydrophobicContact CG2-CB 3.73Å
79	A	95.5	Very high	92.2	Very high	44 Å²	44	54 Å²	54	36%	0.364	30%	0.301	S	S	.	.			trans	-98.7	155	169.1	0	0	0	0	0	110.4	F97 V99	A79-F97 CarbonylContact C-O 3.56Å; A79-F97 WeakPolarHBondContact CA-O 3.48Å; A79-V99 HydrophobicContact CB-CG2 4.17Å
80	F	95.7	Very high	92.3	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.035	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-148.4	139.1	179	171.9	-101.2	0	0	0	109.9	V85 A94 V95 S96 F97 W113 P129 L134 M137	F80-V85 HydrophobicContact CE2-CG1 3.99Å; F80-V85 HydrophobicContact CE2-CG2 4.28Å; F80-V85 HydrophobicContact CZ-CG1 4.19Å; F80-V85 HydrophobicContact CZ-CG2 3.74Å; F80-A94 HydrophobicContact CE1-CB 4.44Å; F80-V95 WeakPolarHBondContact CD1-O 3.41Å; F80-S96 CarbonylContact O-C 3.51Å; F80-S96 WeakPolarHBondContact O-CA 3.42Å; F80-F97 HydrophobicContact CB-CD1 4.21Å; F80-F97 HydrophobicContact CB-CD2 4.08Å; F80-F97 HydrophobicContact CB-CE1 3.71Å; F80-F97 HydrophobicContact CB-CE2 3.57Å; F80-F97 HydrophobicContact CB-CG 4.39Å; F80-F97 HydrophobicContact CB-CZ 3.37Å; F80-F97 HydrophobicContact CD1-CD1 4.22Å; F80-F97 AromaticContact CD1-CE1 3.79Å; F80-F97 HydrophobicContact CD1-CE1 3.79Å; F80-F97 HydrophobicContact CD1-CZ 4.27Å; F80-F97 HydrophobicContact CG-CE1 4.07Å; F80-F97 HydrophobicContact CG-CZ 4.08Å; F80-F97 PolarHBondContact N-O 3.33Å; F80-F97 PolarHBondContact O-N 3.23Å; F80-F97 VanDerWaalsContact O-O 3.04Å; F80-W113 HydrophobicContact CZ-CH2 4.13Å; F80-W113 HydrophobicContact CZ-CZ3 4.32Å; F80-P129 HydrophobicContact CD1-CG 3.89Å; F80-P129 HydrophobicContact CD2-CG 3.87Å; F80-P129 HydrophobicContact CE1-CG 3.83Å; F80-P129 HydrophobicContact CE2-CB 4.36Å; F80-P129 HydrophobicContact CE2-CG 3.8Å; F80-P129 HydrophobicContact CG-CG 3.91Å; F80-P129 HydrophobicContact CZ-CB 4.39Å; F80-P129 HydrophobicContact CZ-CG 3.77Å; F80-L134 HydrophobicContact CB-CD2 4.47Å; F80-L134 HydrophobicContact CD2-CD2 3.95Å; F80-L134 HydrophobicContact CG-CD2 4.45Å; F80-M137 HydrophobicContact CD2-CE 4.45Å; F80-M137 HydrophobicContact CE2-CE 4.02Å; F80-M137 HydrophobicContact CE2-SD 4.04Å
81	H	93.5	Very high	92.2	Very high	93 Å²	93	49 Å²	49	43%	0.431	29%	0.287	S	S	.	.			trans	-120.7	121.9	177.7	-70.5	-97	0	0	0	108.6	S83 V84 Q98	H81-S83 PolarHBondContact O-N 2.9Å; H81-V84 WeakPolarHBondContact O-CG2 3.42Å; H81-V84 PolarHBondContact O-N 3.34Å; H81-Q98 PolarHBondContact CE1-NE2 3.06Å; H81-Q98 VanDerWaalsContact CE1-NE2 3.28Å; H81-Q98 PolarHBondContact NE2-NE2 3.06Å; H81-Q98 VanDerWaalsContact NE2-NE2 3.11Å
82	G	89.5	Confident	92	Very high	14 Å²	14	47.6 Å²	47.6	14%	0.144	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-1.7	-179.6	0	0	0	0	0	114.9	V85 S96	G82-V85 WeakPolarHBondContact O-CG2 3.27Å; G82-S96 PolarHBondContact N-OG 2.81Å
83	S	85.2	Confident	92	Very high	103 Å²	103	48 Å²	48	72%	0.72	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	13.2	177.7	68.1	0	0	0	0	113.9	H81	H81-S83 PolarHBondContact O-N 2.9Å
84	V	80.9	Confident	91.9	Very high	95 Å²	95	48.5 Å²	48.5	58%	0.576	30%	0.302	S	S	*	.	S	Bend	trans	-121.7	20	174.9	-48.3	0	0	0	0	112.4	H81 M137	H81-V84 WeakPolarHBondContact O-CG2 3.42Å; H81-V84 PolarHBondContact O-N 3.34Å; V84-M137 HydrophobicContact CG2-CE 4.12Å
85	V	82.7	Confident	91.9	Very high	16 Å²	16	49.3 Å²	49.3	10%	0.097	31%	0.307	C	S	.	.			trans	-140.3	107.8	-174.2	-81.5	0	0	0	0	109.9	F80 G82 D87 A94 W113 M137	F80-V85 HydrophobicContact CE2-CG1 3.99Å; F80-V85 HydrophobicContact CE2-CG2 4.28Å; F80-V85 HydrophobicContact CZ-CG1 4.19Å; F80-V85 HydrophobicContact CZ-CG2 3.74Å; G82-V85 WeakPolarHBondContact O-CG2 3.27Å; V85-D87 VanDerWaalsContact C-N 3.3Å; V85-A94 HydrophobicContact CG2-CB 4.27Å; V85-W113 HydrophobicContact CB-CH2 4.44Å; V85-W113 HydrophobicContact CG2-CH2 4.23Å; V85-M137 HydrophobicContact CG1-CE 3.54Å; V85-M137 HydrophobicContact CG1-SD 4.07Å
86	D	83.8	Confident	91.8	Very high	169 Å²	169	50.6 Å²	50.6	90%	0.904	32%	0.32	S	S	*	.	S	Bend	trans	-88	-4.8	177	-49.3	-57.2	0	0	0	111.7
87	D	90.2	Very high	91.8	Very high	81 Å²	81	50.8 Å²	50.8	43%	0.433	32%	0.321	S	S	.	.			trans	-102.6	26.6	-176.6	65.2	-1	0	0	0	113.9	V85 W113 K133	V85-D87 VanDerWaalsContact C-N 3.3Å; D87-W113 PolarHBondContact O-NE1 2.82Å; D87-W113 VanDerWaalsContact O-NE1 3.12Å; D87-K133 IonicContact OD1-NZ 3.11Å; D87-K133 VanDerWaalsContact OD2-CE 3.23Å; D87-K133 WeakPolarHBondContact OD2-CE 3.46Å; D87-K133 IonicContact OD2-NZ 3.84Å; D87-K133 PolarHBondContact OD2-NZ 3.49Å
88	C	92.4	Very high	91.9	Very high	10 Å²	10	53.9 Å²	53.9	7%	0.068	33%	0.334	C	S	.	.			trans	-76.2	129.6	173.2	-177.1	0	0	0	0	110.3	V90 A94 W113	C88-V90 CarbonylContact O-C 3.58Å; C88-V90 PolarHBondContact O-N 3.45Å; C88-V90 PolarHBondContact SG-O 2.93Å; C88-A94 HydrophobicContact CB-CB 4.31Å; C88-W113 HydrophobicContact CB-CH2 4.3Å; C88-W113 HydrophobicContact CB-CZ2 4.24Å
89	P	93.3	Very high	92	Very high	22 Å²	22	55.4 Å²	55.4	14%	0.143	34%	0.344	C	S	.	.	S	Bend	trans	-60.3	-14.1	-173.4	-26.4	35.4	0	0	0	116.2	A58 F109 W113 F127	A58-P89 HydrophobicContact CB-CB 3.85Å; A58-P89 WeakPolarHBondContact CB-O 3.34Å; P89-F109 HydrophobicContact CB-CD1 4.23Å; P89-F109 HydrophobicContact CB-CE1 3.56Å; P89-F109 HydrophobicContact CB-CZ 3.87Å; P89-F109 HydrophobicContact CG-CD1 3.83Å; P89-F109 HydrophobicContact CG-CE1 3.5Å; P89-F109 VanDerWaalsContact CG-CE1 3.5Å; P89-F109 HydrophobicContact CG-CZ 4.32Å; P89-W113 HydrophobicContact CG-CB 4.23Å; P89-W113 HydrophobicContact CG-CD2 4.45Å; P89-W113 HydrophobicContact CG-CG 3.85Å; P89-F127 HydrophobicContact CB-CD1 4.32Å; P89-F127 HydrophobicContact CB-CE1 3.98Å; P89-F127 HydrophobicContact CB-CZ 4.16Å; P89-F127 HydrophobicContact CG-CD1 4.03Å; P89-F127 HydrophobicContact CG-CE1 4.13Å
90	V	93.4	Very high	92	Very high	9 Å²	9	58.9 Å²	58.9	6%	0.055	35%	0.351	C	S	.	.	S	Bend	trans	-136.4	116.1	162.8	-178.5	0	0	0	0	106	E55 A58 R59 C88 M93 F127	E55-V90 HydrophobicContact CG-CB 4.45Å; E55-V90 HydrophobicContact CG-CG1 4.43Å; E55-V90 HydrophobicContact CG-CG2 4.11Å; E55-V90 WeakPolarHBondContact OE1-CG1 3.46Å; A58-V90 HydrophobicContact CB-CG2 3.64Å; R59-V90 HydrophobicContact CB-CG2 4.48Å; R59-V90 HydrophobicContact CG-CB 4.46Å; R59-V90 HydrophobicContact CG-CG1 3.87Å; R59-V90 HydrophobicContact CG-CG2 3.65Å; C88-V90 CarbonylContact O-C 3.58Å; C88-V90 PolarHBondContact O-N 3.45Å; C88-V90 PolarHBondContact SG-O 2.93Å; V90-M93 HydrophobicContact CB-CB 4.1Å; V90-M93 HydrophobicContact CB-CG 4Å; V90-M93 HydrophobicContact CG1-CB 4.24Å; V90-M93 HydrophobicContact CG1-CG 3.57Å; V90-M93 PolarHBondContact O-N 3.38Å; V90-F127 HydrophobicContact CB-CD2 4.43Å; V90-F127 HydrophobicContact CB-CE2 3.8Å; V90-F127 HydrophobicContact CG2-CE2 3.54Å; V90-F127 HydrophobicContact CG2-CZ 3.95Å
91	P	90.7	Very high	92	Very high	89 Å²	89	60.8 Å²	60.8	58%	0.578	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	139.9	-178.2	-30.2	37.5	0	0	0	113.1	E55 M93	E55-P91 WeakPolarHBondContact OE1-CD 3.49Å; P91-M93 PolarHBondContact O-N 3.13Å; P91-M93 VanDerWaalsContact O-N 3.11Å
92	G	90.9	Very high	92.2	Very high	75 Å²	75	57.9 Å²	57.9	77%	0.773	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	-12.6	-178.5	0	0	0	0	0	116.3	A94	G92-A94 VanDerWaalsContact C-N 3.3Å; G92-A94 PolarHBondContact O-N 3.48Å
93	M	94.3	Very high	92.7	Very high	76 Å²	76	57.2 Å²	57.2	37%	0.374	34%	0.34	S	S	.	.			trans	-88.6	15.6	-177.1	-60.7	-57.1	-68	0	0	114.5	L62 V90 P91 G126 F127	L62-M93 HydrophobicContact CD2-CB 4.22Å; L62-M93 HydrophobicContact CD2-CE 3.64Å; L62-M93 HydrophobicContact CD2-CG 4.24Å; V90-M93 HydrophobicContact CB-CB 4.1Å; V90-M93 HydrophobicContact CB-CG 4Å; V90-M93 HydrophobicContact CG1-CB 4.24Å; V90-M93 HydrophobicContact CG1-CG 3.57Å; V90-M93 PolarHBondContact O-N 3.38Å; P91-M93 PolarHBondContact O-N 3.13Å; P91-M93 VanDerWaalsContact O-N 3.11Å; M93-G126 CarbonylContact O-C 3.52Å; M93-G126 VanDerWaalsContact O-CA 3.28Å; M93-G126 WeakPolarHBondContact O-CA 3.46Å; M93-F127 HydrophobicContact CB-CD2 4.04Å; M93-F127 HydrophobicContact CB-CE2 4.39Å; M93-F127 PolarHBondContact O-N 3.02Å
94	A	96.2	Very high	93.2	Very high	13 Å²	13	52.3 Å²	52.3	11%	0.107	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-77.7	121.7	177	0	0	0	0	0	112.3	F80 V85 C88 G92 S96	F80-A94 HydrophobicContact CE1-CB 4.44Å; V85-A94 HydrophobicContact CG2-CB 4.27Å; C88-A94 HydrophobicContact CB-CB 4.31Å; G92-A94 VanDerWaalsContact C-N 3.3Å; G92-A94 PolarHBondContact O-N 3.48Å; A94-S96 PolarHBondContact O-N 3.48Å
95	V	96.6	Very high	94	Very high	18 Å²	18	47.9 Å²	47.9	11%	0.109	28%	0.279	C	S	.	.			trans	-72.7	110.1	-179.7	-178.2	0	0	0	0	110.1	F80 F97 L118 F127 I128	F80-V95 WeakPolarHBondContact CD1-O 3.41Å; V95-F97 WeakPolarHBondContact O-CD1 3.45Å; V95-L118 HydrophobicContact CG1-CB 4.19Å; V95-F127 PolarHBondContact N-O 2.9Å; V95-I128 HydrophobicContact CB-CG1 3.85Å; V95-I128 HydrophobicContact CG1-CG1 4.36Å; V95-I128 HydrophobicContact CG2-CG1 3.98Å
96	S	96.6	Very high	94.6	Very high	55 Å²	55	48.1 Å²	48.1	39%	0.385	28%	0.279	S	S	.	.			trans	-77	141.8	170.9	-57.4	0	0	0	0	111.3	F80 G82 A94	F80-S96 CarbonylContact O-C 3.51Å; F80-S96 WeakPolarHBondContact O-CA 3.42Å; G82-S96 PolarHBondContact N-OG 2.81Å; A94-S96 PolarHBondContact O-N 3.48Å
97	F	97.4	Very high	95.2	Very high	3 Å²	3	43.2 Å²	43.2	1%	0.013	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-151.4	154.9	179.5	57	-102.5	0	0	0	112.5	T76 V78 A79 F80 V95 D101 L103 I128 P129 L134 Y214	T76-F97 HydrophobicContact CG2-CB 4.5Å; T76-F97 HydrophobicContact CG2-CD2 3.5Å; T76-F97 HydrophobicContact CG2-CE2 3.8Å; T76-F97 HydrophobicContact CG2-CG 4.04Å; V78-F97 WeakPolarHBondContact O-CE2 3.32Å; A79-F97 CarbonylContact C-O 3.56Å; A79-F97 WeakPolarHBondContact CA-O 3.48Å; F80-F97 HydrophobicContact CB-CD1 4.21Å; F80-F97 HydrophobicContact CB-CD2 4.08Å; F80-F97 HydrophobicContact CB-CE1 3.71Å; F80-F97 HydrophobicContact CB-CE2 3.57Å; F80-F97 HydrophobicContact CB-CG 4.39Å; F80-F97 HydrophobicContact CB-CZ 3.37Å; F80-F97 HydrophobicContact CD1-CD1 4.22Å; F80-F97 AromaticContact CD1-CE1 3.79Å; F80-F97 HydrophobicContact CD1-CE1 3.79Å; F80-F97 HydrophobicContact CD1-CZ 4.27Å; F80-F97 HydrophobicContact CG-CE1 4.07Å; F80-F97 HydrophobicContact CG-CZ 4.08Å; F80-F97 PolarHBondContact N-O 3.33Å; F80-F97 PolarHBondContact O-N 3.23Å; F80-F97 VanDerWaalsContact O-O 3.04Å; V95-F97 WeakPolarHBondContact O-CD1 3.45Å; F97-D101 WeakPolarHBondContact CA-OD2 3.48Å; F97-D101 HydrophobicContact CB-CB 4.17Å; F97-L103 HydrophobicContact CB-CD2 4.17Å; F97-L103 HydrophobicContact CD1-CD1 3.84Å; F97-L103 HydrophobicContact CD1-CD2 4.22Å; F97-L103 HydrophobicContact CE1-CD1 3.92Å; F97-L103 HydrophobicContact CG-CD1 4.3Å; F97-L103 HydrophobicContact CG-CD2 4.39Å; F97-L103 HydrophobicContact CZ-CD1 4.44Å; F97-I128 HydrophobicContact CE1-CG2 4.42Å; F97-P129 HydrophobicContact CE1-CG 4.32Å; F97-P129 HydrophobicContact CZ-CG 4.4Å; F97-L134 HydrophobicContact CZ-CD1 4.45Å; F97-Y214 HydrophobicContact CE1-CE1 4.46Å; F97-Y214 HydrophobicContact CE2-CE1 4.12Å; F97-Y214 AromaticContact CZ-CE1 3.77Å; F97-Y214 HydrophobicContact CZ-CE1 3.77Å; F97-Y214 AromaticContact CZ-CZ 3.97Å; F97-Y214 VanDerWaalsContact CZ-OH 3.25Å; F97-Y214 WeakPolarHBondContact CZ-OH 3.44Å
98	Q	97.2	Very high	95.4	Very high	93 Å²	93	45.1 Å²	45.1	44%	0.435	26%	0.255	S	S	.	.			trans	-100.9	177.5	175.2	-66.2	-56.7	-40.5	0	0	112	T76 H81 D101	T76-Q98 PolarHBondContact OG1-O 2.95Å; H81-Q98 PolarHBondContact CE1-NE2 3.06Å; H81-Q98 VanDerWaalsContact CE1-NE2 3.28Å; H81-Q98 PolarHBondContact NE2-NE2 3.06Å; H81-Q98 VanDerWaalsContact NE2-NE2 3.11Å; Q98-D101 PolarHBondContact N-OD2 3.37Å; Q98-D101 WeakPolarHBondContact O-CB 3.47Å; Q98-D101 PolarHBondContact O-N 3.35Å
99	V	95.7	Very high	95.5	Very high	78 Å²	78	46.9 Å²	46.9	47%	0.473	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	137.9	175.2	-174.3	0	0	0	0	110.3	A79 D101	A79-V99 HydrophobicContact CB-CG2 4.17Å; V99-D101 VanDerWaalsContact C-N 3.29Å
100	K	95	Very high	95.6	Very high	117 Å²	117	48.7 Å²	48.7	51%	0.509	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	-1.6	-171.5	-49.7	178.1	-176.1	172.4	0	115.5	R75 T76 F102 D374	R75-K100 WeakPolarHBondContact CG-O 3.34Å; T76-K100 WeakPolarHBondContact O-CA 3.48Å; T76-K100 PolarHBondContact O-N 2.98Å; T76-K100 PolarHBondContact OG1-N 3.23Å; T76-K100 VanDerWaalsContact OG1-N 3.07Å; K100-F102 WeakPolarHBondContact O-CD2 3.33Å; K100-F102 VanDerWaalsContact O-CE2 3.32Å; K100-F102 WeakPolarHBondContact O-CE2 3.41Å; K100-D374 IonicContact NZ-OD2 3.46Å
101	D	97.4	Very high	95.7	Very high	47 Å²	47	54 Å²	54	25%	0.251	30%	0.298	S	S	.	.			trans	-61.4	160	172.7	-82.8	-6.1	0	0	0	112.1	R75 T76 F97 Q98 V99 L118	R75-D101 CarbonylContact C-O 3.58Å; R75-D101 VanDerWaalsContact CA-O 3.27Å; R75-D101 WeakPolarHBondContact CA-O 3.49Å; R75-D101 WeakPolarHBondContact CG-O 3.3Å; T76-D101 HydrophobicContact CG2-CB 4.17Å; T76-D101 PolarHBondContact N-O 2.71Å; T76-D101 PolarHBondContact OG1-N 2.98Å; T76-D101 PolarHBondContact OG1-O 2.83Å; F97-D101 WeakPolarHBondContact CA-OD2 3.48Å; F97-D101 HydrophobicContact CB-CB 4.17Å; Q98-D101 PolarHBondContact N-OD2 3.37Å; Q98-D101 WeakPolarHBondContact O-CB 3.47Å; Q98-D101 PolarHBondContact O-N 3.35Å; V99-D101 VanDerWaalsContact C-N 3.29Å; D101-L118 HydrophobicContact CB-CD1 3.79Å
102	F	98	Very high	95.9	Very high	32 Å²	32	53.5 Å²	53.5	14%	0.14	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.1	-179.8	-67.6	-96.4	0	0	0	110.5	V74 R75 K100 V119 V217 R221 A329	V74-F102 WeakPolarHBondContact O-CA 3.44Å; R75-F102 HydrophobicContact CB-CD1 4.15Å; R75-F102 HydrophobicContact CB-CE1 3.95Å; R75-F102 HydrophobicContact CB-CZ 4.42Å; R75-F102 HydrophobicContact CG-CD1 4.24Å; R75-F102 HydrophobicContact CG-CE1 3.89Å; R75-F102 HydrophobicContact CG-CE2 4.18Å; R75-F102 HydrophobicContact CG-CZ 3.85Å; K100-F102 WeakPolarHBondContact O-CD2 3.33Å; K100-F102 VanDerWaalsContact O-CE2 3.32Å; K100-F102 WeakPolarHBondContact O-CE2 3.41Å; F102-V119 HydrophobicContact CB-CB 4.04Å; F102-V119 HydrophobicContact CB-CG2 4.08Å; F102-V119 WeakPolarHBondContact O-CG2 3.19Å; F102-V119 PolarHBondContact O-N 3.16Å; F102-V217 HydrophobicContact CD1-CG2 4.04Å; F102-V217 HydrophobicContact CE1-CG2 4.17Å; F102-R221 HydrophobicContact CD1-CG 4.21Å; F102-R221 HydrophobicContact CE1-CG 3.78Å; F102-R221 VanDerWaalsContact CZ-CD 3.45Å; F102-R221 HydrophobicContact CZ-CG 4.1Å; F102-A329 HydrophobicContact CE1-CB 3.67Å; F102-A329 HydrophobicContact CZ-CB 3.87Å
103	L	98	Very high	96.1	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.8	-178.3	-51.2	176.3	0	0	0	110.7	V73 V74 T76 F97 I105 R117 L118 I128 Y214	V73-L103 WeakPolarHBondContact CA-O 3.35Å; V73-L103 WeakPolarHBondContact CG1-O 3.49Å; V74-L103 HydrophobicContact CG2-CB 3.81Å; V74-L103 HydrophobicContact CG2-CD1 4.2Å; V74-L103 HydrophobicContact CG2-CG 4.31Å; V74-L103 PolarHBondContact N-O 2.99Å; V74-L103 VanDerWaalsContact N-O 3.08Å; V74-L103 PolarHBondContact O-N 1.92Å; T76-L103 HydrophobicContact CG2-CD1 3.89Å; T76-L103 HydrophobicContact CG2-CG 4.05Å; F97-L103 HydrophobicContact CB-CD2 4.17Å; F97-L103 HydrophobicContact CD1-CD1 3.84Å; F97-L103 HydrophobicContact CD1-CD2 4.22Å; F97-L103 HydrophobicContact CE1-CD1 3.92Å; F97-L103 HydrophobicContact CG-CD1 4.3Å; F97-L103 HydrophobicContact CG-CD2 4.39Å; F97-L103 HydrophobicContact CZ-CD1 4.44Å; L103-I105 HydrophobicContact CB-CD1 4.11Å; L103-R117 CarbonylContact C-O 3.56Å; L103-R117 WeakPolarHBondContact CA-O 3.48Å; L103-L118 HydrophobicContact CD2-CB 4.35Å; L103-L118 HydrophobicContact CD2-CD1 3.9Å; L103-I128 HydrophobicContact CB-CD1 4.13Å; L103-I128 HydrophobicContact CD1-CD1 4.18Å; L103-I128 HydrophobicContact CD1-CG1 4.48Å; L103-I128 HydrophobicContact CD1-CG2 3.84Å; L103-Y214 HydrophobicContact CD1-CE1 3.96Å
104	H	97	Very high	96.3	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	111.3	170.8	-83.7	-172.8	0	0	0	109.5	V70 V73 G116 R117 V119 S219 S403	V70-H104 HydrophobicContact CG1-CB 4.07Å; V70-H104 HydrophobicContact CG2-CB 4.07Å; V73-H104 WeakPolarHBondContact CG2-CD2 3.2Å; H104-G116 CarbonylContact O-C 3.42Å; H104-G116 WeakPolarHBondContact O-CA 3.3Å; H104-R117 HydrophobicContact CB-CG 3.9Å; H104-R117 PolarHBondContact N-O 2.78Å; H104-R117 PolarHBondContact O-N 2.93Å; H104-V119 HydrophobicContact CB-CG2 4.26Å; H104-V119 WeakPolarHBondContact CD2-CG2 3.42Å; H104-S219 PolarHBondContact NE2-O 2.95Å; H104-S403 PolarHBondContact CE1-O 2.98Å
105	I	97.5	Very high	96.4	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	132.5	179.1	-49.2	-53.1	0	0	0	110	V71 F72 V74 L103 W114 I128	V71-I105 PolarHBondContact N-O 3.24Å; F72-I105 HydrophobicContact CD1-CB 4.17Å; F72-I105 HydrophobicContact CD1-CG2 4.36Å; F72-I105 HydrophobicContact CD2-CB 4.38Å; F72-I105 HydrophobicContact CD2-CG1 4.13Å; F72-I105 HydrophobicContact CE1-CB 3.89Å; F72-I105 HydrophobicContact CE1-CG1 4.34Å; F72-I105 HydrophobicContact CE1-CG2 3.68Å; F72-I105 HydrophobicContact CE2-CB 4.12Å; F72-I105 HydrophobicContact CE2-CG1 3.68Å; F72-I105 HydrophobicContact CE2-CG2 4.48Å; F72-I105 HydrophobicContact CG-CB 4.41Å; F72-I105 HydrophobicContact CZ-CB 3.87Å; F72-I105 HydrophobicContact CZ-CG1 3.8Å; F72-I105 HydrophobicContact CZ-CG2 3.75Å; F72-I105 PolarHBondContact O-N 3.31Å; V74-I105 HydrophobicContact CG2-CD1 4.47Å; L103-I105 HydrophobicContact CB-CD1 4.11Å; I105-W114 HydrophobicContact CD1-CE3 3.84Å; I105-W114 HydrophobicContact CD1-CZ3 4.44Å; I105-W114 HydrophobicContact CG1-CE3 3.99Å; I105-W114 HydrophobicContact CG1-CZ3 4.32Å; I105-W114 HydrophobicContact CG2-CB 4.23Å; I105-W114 HydrophobicContact CG2-CE3 4.3Å; I105-I128 HydrophobicContact CD1-CD1 3.63Å; I105-I128 HydrophobicContact CD1-CG2 4.44Å
106	K	95.5	Very high	96.4	Very high	22 Å²	22	46.7 Å²	46.7	10%	0.096	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-44.5	-176.3	-61.2	-68.2	-164.9	171.4	0	112	A65 S68 K69 V71 I115	A65-K106 HydrophobicContact CB-CB 4.06Å; A65-K106 HydrophobicContact CB-CG 4.39Å; A65-K106 WeakPolarHBondContact O-CE 3.49Å; S68-K106 WeakPolarHBondContact O-CD 3.15Å; S68-K106 PolarHBondContact O-NZ 3.34Å; K69-K106 WeakPolarHBondContact O-CD 3.27Å; V71-K106 WeakPolarHBondContact CG2-O 3.19Å; K106-I115 WeakPolarHBondContact CB-O 3.4Å; K106-I115 PolarHBondContact N-O 2.96Å
107	E	95.4	Very high	96.4	Very high	65 Å²	65	44.3 Å²	44.3	30%	0.304	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	155.5	-174.5	-162.4	153.7	-154.6	0	0	109.9	K64 I115	K64-E107 IonicContact NZ-OE1 2.67Å; K64-E107 PolarHBondContact NZ-OE1 3.36Å; K64-E107 IonicContact NZ-OE2 2.7Å; K64-E107 PolarHBondContact NZ-OE2 2.8Å; E107-I115 PolarHBondContact N-O 2.97Å; E107-I115 PolarHBondContact O-N 2.99Å
108	K	95.4	Very high	96.4	Very high	122 Å²	122	45.1 Å²	45.1	53%	0.53	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	117.7	167.9	176.4	-173.4	173	-170.1	0	107	N110 N111	K108-N110 WeakPolarHBondContact CE-O 3.26Å; K108-N110 VanDerWaalsContact CG-O 3.26Å; K108-N110 WeakPolarHBondContact CG-O 3.33Å; K108-N111 WeakPolarHBondContact CE-OD1 3.46Å; K108-N111 PolarHBondContact NZ-OD1 2.79Å
109	F	94.8	Very high	96.4	Very high	47 Å²	47	41.9 Å²	41.9	21%	0.206	20%	0.203	C	C	.	.			trans	-77	-57.9	177.4	175.4	-103.4	0	0	0	110.3	A58 L61 P89 W113 I115 F127	A58-F109 HydrophobicContact CB-CE2 3.73Å; A58-F109 HydrophobicContact CB-CZ 3.75Å; L61-F109 HydrophobicContact CD1-CD2 3.73Å; L61-F109 HydrophobicContact CD1-CE2 3.93Å; P89-F109 HydrophobicContact CB-CD1 4.23Å; P89-F109 HydrophobicContact CB-CE1 3.56Å; P89-F109 HydrophobicContact CB-CZ 3.87Å; P89-F109 HydrophobicContact CG-CD1 3.83Å; P89-F109 HydrophobicContact CG-CE1 3.5Å; P89-F109 VanDerWaalsContact CG-CE1 3.5Å; P89-F109 HydrophobicContact CG-CZ 4.32Å; F109-W113 WeakPolarHBondContact CB-O 3.36Å; F109-W113 HydrophobicContact CD1-CB 4.21Å; F109-W113 PolarHBondContact N-O 3.34Å; F109-I115 HydrophobicContact CB-CD1 4.05Å; F109-I115 HydrophobicContact CB-CG1 4.04Å; F109-I115 HydrophobicContact CD2-CD1 4.24Å; F109-F127 HydrophobicContact CB-CE1 4.31Å; F109-F127 HydrophobicContact CD1-CE1 4.29Å; F109-F127 HydrophobicContact CD2-CE1 4.17Å; F109-F127 HydrophobicContact CG-CE1 4.01Å
110	N	94.4	Very high	96.3	Very high	60 Å²	60	44.3 Å²	44.3	32%	0.321	21%	0.208	S	C	.	.	S	Bend	trans	-145.5	-162.7	174.5	70.3	18.3	0	0	0	110.7	K108 E112 W113	K108-N110 WeakPolarHBondContact CE-O 3.26Å; K108-N110 VanDerWaalsContact CG-O 3.26Å; K108-N110 WeakPolarHBondContact CG-O 3.33Å; N110-E112 VanDerWaalsContact C-N 3.3Å; N110-E112 PolarHBondContact O-N 3.24Å; N110-E112 WeakPolarHBondContact OD1-CA 3.39Å; N110-E112 PolarHBondContact OD1-N 2.96Å; N110-W113 PolarHBondContact N-O 2.95Å; N110-W113 PolarHBondContact OD1-N 2.68Å
111	N	95	Very high	96.1	Very high	121 Å²	121	42.7 Å²	42.7	65%	0.647	20%	0.202	S	C	*	.	S	Bend	trans	-72.4	-22.1	-179.9	-72.1	-30	0	0	0	113.8	K108 S130	K108-N111 WeakPolarHBondContact CE-OD1 3.46Å; K108-N111 PolarHBondContact NZ-OD1 2.79Å; N111-S130 WeakPolarHBondContact O-CB 3.48Å; N111-S130 PolarHBondContact O-OG 2.94Å
112	E	95.1	Very high	95.7	Very high	77 Å²	77	44.3 Å²	44.3	36%	0.36	23%	0.229	S	C	.	.	S	Bend	trans	-100.4	-25.5	-178	-63.9	-157.4	123.5	0	0	113.6	N110 P129 S130 K133	N110-E112 VanDerWaalsContact C-N 3.3Å; N110-E112 PolarHBondContact O-N 3.24Å; N110-E112 WeakPolarHBondContact OD1-CA 3.39Å; N110-E112 PolarHBondContact OD1-N 2.96Å; E112-P129 CarbonylContact O-C 3.54Å; E112-P129 WeakPolarHBondContact O-CA 3.48Å; E112-S130 WeakPolarHBondContact O-CB 3.3Å; E112-S130 PolarHBondContact O-N 2.84Å; E112-K133 HydrophobicContact CB-CB 4.25Å; E112-K133 HydrophobicContact CB-CD 3.98Å; E112-K133 HydrophobicContact CB-CG 4.35Å; E112-K133 HydrophobicContact CG-CD 4.14Å; E112-K133 WeakPolarHBondContact O-CB 3.37Å; E112-K133 VanDerWaalsContact OE1-CD 3.29Å; E112-K133 WeakPolarHBondContact OE1-CD 3.36Å; E112-K133 IonicContact OE1-NZ 2.7Å; E112-K133 PolarHBondContact OE1-NZ 2.83Å; E112-K133 IonicContact OE2-NZ 2.74Å; E112-K133 PolarHBondContact OE2-NZ 2.92Å
113	W	96.8	Very high	95.4	Very high	3 Å²	3	44.6 Å²	44.6	1%	0.011	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.6	-172.2	-65.1	105.1	0	0	0	112.7	F80 V85 D87 C88 P89 F109 N110 F127 P129	F80-W113 HydrophobicContact CZ-CH2 4.13Å; F80-W113 HydrophobicContact CZ-CZ3 4.32Å; V85-W113 HydrophobicContact CB-CH2 4.44Å; V85-W113 HydrophobicContact CG2-CH2 4.23Å; D87-W113 PolarHBondContact O-NE1 2.82Å; D87-W113 VanDerWaalsContact O-NE1 3.12Å; C88-W113 HydrophobicContact CB-CH2 4.3Å; C88-W113 HydrophobicContact CB-CZ2 4.24Å; P89-W113 HydrophobicContact CG-CB 4.23Å; P89-W113 HydrophobicContact CG-CD2 4.45Å; P89-W113 HydrophobicContact CG-CG 3.85Å; F109-W113 WeakPolarHBondContact CB-O 3.36Å; F109-W113 HydrophobicContact CD1-CB 4.21Å; F109-W113 PolarHBondContact N-O 3.34Å; N110-W113 PolarHBondContact N-O 2.95Å; N110-W113 PolarHBondContact OD1-N 2.68Å; W113-F127 HydrophobicContact CB-CD1 4.3Å; W113-F127 HydrophobicContact CD2-CB 4.42Å; W113-F127 HydrophobicContact CE3-CB 3.74Å; W113-F127 HydrophobicContact CZ3-CB 4.13Å; W113-P129 HydrophobicContact CE3-CB 4.32Å; W113-P129 HydrophobicContact CZ3-CB 4.06Å
114	W	97.9	Very high	95.1	Very high	37 Å²	37	49.1 Å²	49.1	14%	0.14	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	158	168.1	-61	-11.9	0	0	0	109.3	F72 I105 F127 I128 P131 Y214	F72-W114 HydrophobicContact CE2-CE3 4.45Å; F72-W114 HydrophobicContact CE2-CH2 4.03Å; F72-W114 AromaticContact CE2-CZ3 3.81Å; F72-W114 HydrophobicContact CE2-CZ3 3.81Å; F72-W114 HydrophobicContact CZ-CD2 4.47Å; F72-W114 HydrophobicContact CZ-CE3 4.07Å; F72-W114 AromaticContact CZ-CH2 3.86Å; F72-W114 HydrophobicContact CZ-CH2 3.86Å; F72-W114 HydrophobicContact CZ-CZ2 4.28Å; F72-W114 AromaticContact CZ-CZ3 3.76Å; F72-W114 HydrophobicContact CZ-CZ3 3.76Å; I105-W114 HydrophobicContact CD1-CE3 3.84Å; I105-W114 HydrophobicContact CD1-CZ3 4.44Å; I105-W114 HydrophobicContact CG1-CE3 3.99Å; I105-W114 HydrophobicContact CG1-CZ3 4.32Å; I105-W114 HydrophobicContact CG2-CB 4.23Å; I105-W114 HydrophobicContact CG2-CE3 4.3Å; W114-F127 CarbonylContact O-C 3.59Å; W114-F127 WeakPolarHBondContact O-CA 3.37Å; W114-I128 HydrophobicContact CB-CB 4.41Å; W114-I128 PolarHBondContact N-O 3.35Å; W114-I128 PolarHBondContact O-N 3.14Å; W114-P131 HydrophobicContact CH2-CG 3.94Å; W114-P131 VanDerWaalsContact CZ2-CD 3.41Å; W114-P131 HydrophobicContact CZ2-CG 4.11Å; W114-Y214 HydrophobicContact CE3-CE2 4.24Å; W114-Y214 AromaticContact CH2-CD2 3.96Å; W114-Y214 HydrophobicContact CH2-CD2 3.96Å; W114-Y214 HydrophobicContact CH2-CE2 4.33Å; W114-Y214 AromaticContact CZ3-CD2 3.62Å; W114-Y214 HydrophobicContact CZ3-CD2 3.62Å; W114-Y214 AromaticContact CZ3-CE2 3.76Å; W114-Y214 HydrophobicContact CZ3-CE2 3.76Å
115	I	97.8	Very high	95.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.1	171.8	-61.5	169.3	0	0	0	108.4	L61 L62 A65 K106 E107 F109 V125 F127	L61-I115 HydrophobicContact CB-CD1 3.87Å; L62-I115 HydrophobicContact CD1-CG2 3.7Å; A65-I115 HydrophobicContact CB-CB 4.4Å; A65-I115 HydrophobicContact CB-CG2 3.33Å; K106-I115 WeakPolarHBondContact CB-O 3.4Å; K106-I115 PolarHBondContact N-O 2.96Å; E107-I115 PolarHBondContact N-O 2.97Å; E107-I115 PolarHBondContact O-N 2.99Å; F109-I115 HydrophobicContact CB-CD1 4.05Å; F109-I115 HydrophobicContact CB-CG1 4.04Å; F109-I115 HydrophobicContact CD2-CD1 4.24Å; I115-V125 HydrophobicContact CG2-CG1 3.45Å; I115-V125 VanDerWaalsContact CG2-CG1 3.45Å; I115-F127 HydrophobicContact CD1-CE1 3.98Å; I115-F127 HydrophobicContact CD1-CZ 4.45Å; I115-F127 HydrophobicContact CG1-CD1 3.96Å; I115-F127 HydrophobicContact CG1-CE1 3.69Å; I115-F127 HydrophobicContact CG1-CZ 4.4Å
116	G	97.3	Very high	95	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177	-169.4	-176.7	0	0	0	0	0	113.1	H104 V125 G126	H104-G116 CarbonylContact O-C 3.42Å; H104-G116 WeakPolarHBondContact O-CA 3.3Å; G116-V125 CarbonylContact O-C 3.54Å; G116-V125 WeakPolarHBondContact O-CA 3.35Å; G116-V125 VanDerWaalsContact O-CG1 3.31Å; G116-V125 WeakPolarHBondContact O-CG1 3.43Å; G116-G126 PolarHBondContact N-O 3.41Å; G116-G126 PolarHBondContact O-N 2.89Å
117	R	96.5	Very high	95.1	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.5	-178.8	63.6	179.3	-64.3	-86.5	-1.1	113.2	L103 H104 K120 C123 D124 V125 A402	L103-R117 CarbonylContact C-O 3.56Å; L103-R117 WeakPolarHBondContact CA-O 3.48Å; H104-R117 HydrophobicContact CB-CG 3.9Å; H104-R117 PolarHBondContact N-O 2.78Å; H104-R117 PolarHBondContact O-N 2.93Å; R117-K120 PolarHBondContact NH2-O 3.01Å; R117-C123 VanDerWaalsContact CZ-O 3.26Å; R117-C123 PolarHBondContact NE-O 3.12Å; R117-C123 PolarHBondContact NH2-O 3.33Å; R117-D124 VanDerWaalsContact CB-O 3.23Å; R117-D124 WeakPolarHBondContact CB-O 3.21Å; R117-V125 HydrophobicContact CB-CG2 4.38Å; R117-A402 PolarHBondContact NH1-O 3.08Å
118	L	97.1	Very high	95.2	Very high	21 Å²	21	45.4 Å²	45.4	11%	0.11	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	134.3	164.9	-176.9	63.5	0	0	0	110	V95 D101 L103 K120 C123	V95-L118 HydrophobicContact CG1-CB 4.19Å; D101-L118 HydrophobicContact CB-CD1 3.79Å; L103-L118 HydrophobicContact CD2-CB 4.35Å; L103-L118 HydrophobicContact CD2-CD1 3.9Å; L118-K120 HydrophobicContact CD2-CB 4.14Å; L118-K120 HydrophobicContact CD2-CD 4.16Å; L118-K120 HydrophobicContact CG-CB 4.02Å; L118-K120 PolarHBondContact O-N 2.69Å; L118-C123 HydrophobicContact CB-CB 4.14Å
119	V	96.1	Very high	95.3	Very high	24 Å²	24	39.6 Å²	39.6	15%	0.145	22%	0.218	C	C	.	.	S	Bend	trans	-80	71.2	178	-175	0	0	0	0	109.8	F102 H104 Y399 A402	F102-V119 HydrophobicContact CB-CB 4.04Å; F102-V119 HydrophobicContact CB-CG2 4.08Å; F102-V119 WeakPolarHBondContact O-CG2 3.19Å; F102-V119 PolarHBondContact O-N 3.16Å; H104-V119 HydrophobicContact CB-CG2 4.26Å; H104-V119 WeakPolarHBondContact CD2-CG2 3.42Å; V119-Y399 HydrophobicContact CG1-CE2 4.32Å; V119-A402 HydrophobicContact CG1-CB 4.47Å
120	K	93.8	Very high	95.4	Very high	130 Å²	130	37.6 Å²	37.6	57%	0.565	21%	0.21	S	C	*	.	S	Bend	trans	-142.7	151.9	179.8	-174.1	172.7	-176.9	173.8	0	109.2	R117 L118 C123	R117-K120 PolarHBondContact NH2-O 3.01Å; L118-K120 HydrophobicContact CD2-CB 4.14Å; L118-K120 HydrophobicContact CD2-CD 4.16Å; L118-K120 HydrophobicContact CG-CB 4.02Å; L118-K120 PolarHBondContact O-N 2.69Å; K120-C123 HydrophobicContact CB-CB 4.41Å
121	E	90.6	Very high	95.5	Very high	83 Å²	83	36.5 Å²	36.5	39%	0.388	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	144	173.4	-66.2	-175.9	-156.7	0	0	111	C123 A398 R401 A402	E121-C123 PolarHBondContact O-N 2.97Å; E121-C123 VanDerWaalsContact O-N 3.16Å; E121-A398 WeakPolarHBondContact OE1-CA 3.43Å; E121-R401 HydrophobicContact CG-CB 4.08Å; E121-R401 IonicContact OE1-CZ 3.32Å; E121-R401 IonicContact OE1-NE 2.68Å; E121-R401 IonicContact OE1-NH1 3.37Å; E121-R401 PolarHBondContact OE1-NH1 3.21Å; E121-R401 IonicContact OE1-NH2 3.14Å; E121-R401 PolarHBondContact OE1-NH2 3.41Å; E121-R401 IonicContact OE2-CZ 2.65Å; E121-R401 IonicContact OE2-NH1 2.6Å; E121-R401 PolarHBondContact OE2-NH1 3.36Å; E121-R401 IonicContact OE2-NH2 2.82Å; E121-A402 HydrophobicContact CG-CB 4.22Å
122	G	89.2	Confident	95.4	Very high	80 Å²	80	33.7 Å²	33.7	83%	0.825	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.4	-10.1	-178.9	0	0	0	0	0	116.1	D124	G122-D124 PolarHBondContact O-N 2.95Å
123	C	92.5	Very high	95.4	Very high	38 Å²	38	30.6 Å²	30.6	26%	0.257	19%	0.185	S	C	.	.			trans	-84.2	111.5	176.3	-64.6	0	0	0	0	111.6	R117 L118 K120 E121	R117-C123 VanDerWaalsContact CZ-O 3.26Å; R117-C123 PolarHBondContact NE-O 3.12Å; R117-C123 PolarHBondContact NH2-O 3.33Å; L118-C123 HydrophobicContact CB-CB 4.14Å; K120-C123 HydrophobicContact CB-CB 4.41Å; E121-C123 PolarHBondContact O-N 2.97Å; E121-C123 VanDerWaalsContact O-N 3.16Å
124	D	92.4	Very high	95.2	Very high	95 Å²	95	31.5 Å²	31.5	51%	0.508	19%	0.19	S	C	.	.			trans	-77.3	-174.4	172.5	-85	-40.8	0	0	0	112.3	R117 G122	R117-D124 VanDerWaalsContact CB-O 3.23Å; R117-D124 WeakPolarHBondContact CB-O 3.21Å; G122-D124 PolarHBondContact O-N 2.95Å
125	V	95.4	Very high	94.8	Very high	8 Å²	8	34.6 Å²	34.6	5%	0.048	21%	0.206	C	C	.	.			trans	-81.9	141.8	178	-170.1	0	0	0	0	110.4	L62 A65 K66 I115 G116 R117	L62-V125 HydrophobicContact CD1-CB 4.12Å; L62-V125 HydrophobicContact CD1-CG1 3.71Å; A65-V125 HydrophobicContact CB-CG1 3.94Å; K66-V125 HydrophobicContact CG-CB 4.29Å; K66-V125 HydrophobicContact CG-CG2 4.06Å; I115-V125 HydrophobicContact CG2-CG1 3.45Å; I115-V125 VanDerWaalsContact CG2-CG1 3.45Å; G116-V125 CarbonylContact O-C 3.54Å; G116-V125 WeakPolarHBondContact O-CA 3.35Å; G116-V125 VanDerWaalsContact O-CG1 3.31Å; G116-V125 WeakPolarHBondContact O-CG1 3.43Å; R117-V125 HydrophobicContact CB-CG2 4.38Å
126	G	96.6	Very high	94.4	Very high	3 Å²	3	36.1 Å²	36.1	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	-169	174.8	0	0	0	0	0	111.8	M93 G116	M93-G126 CarbonylContact O-C 3.52Å; M93-G126 VanDerWaalsContact O-CA 3.28Å; M93-G126 WeakPolarHBondContact O-CA 3.46Å; G116-G126 PolarHBondContact N-O 3.41Å; G116-G126 PolarHBondContact O-N 2.89Å
127	F	97.6	Very high	93.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	135.6	176.7	-65.9	-85.4	0	0	0	111.7	A58 L62 P89 V90 M93 V95 F109 W113 W114 I115	A58-F127 HydrophobicContact CB-CE1 4.49Å; A58-F127 HydrophobicContact CB-CZ 3.87Å; L62-F127 HydrophobicContact CD1-CE2 4.5Å; L62-F127 HydrophobicContact CD2-CE2 4.05Å; P89-F127 HydrophobicContact CB-CD1 4.32Å; P89-F127 HydrophobicContact CB-CE1 3.98Å; P89-F127 HydrophobicContact CB-CZ 4.16Å; P89-F127 HydrophobicContact CG-CD1 4.03Å; P89-F127 HydrophobicContact CG-CE1 4.13Å; V90-F127 HydrophobicContact CB-CD2 4.43Å; V90-F127 HydrophobicContact CB-CE2 3.8Å; V90-F127 HydrophobicContact CG2-CE2 3.54Å; V90-F127 HydrophobicContact CG2-CZ 3.95Å; M93-F127 HydrophobicContact CB-CD2 4.04Å; M93-F127 HydrophobicContact CB-CE2 4.39Å; M93-F127 PolarHBondContact O-N 3.02Å; V95-F127 PolarHBondContact N-O 2.9Å; F109-F127 HydrophobicContact CB-CE1 4.31Å; F109-F127 HydrophobicContact CD1-CE1 4.29Å; F109-F127 HydrophobicContact CD2-CE1 4.17Å; F109-F127 HydrophobicContact CG-CE1 4.01Å; W113-F127 HydrophobicContact CB-CD1 4.3Å; W113-F127 HydrophobicContact CD2-CB 4.42Å; W113-F127 HydrophobicContact CE3-CB 3.74Å; W113-F127 HydrophobicContact CZ3-CB 4.13Å; W114-F127 CarbonylContact O-C 3.59Å; W114-F127 WeakPolarHBondContact O-CA 3.37Å; I115-F127 HydrophobicContact CD1-CE1 3.98Å; I115-F127 HydrophobicContact CD1-CZ 4.45Å; I115-F127 HydrophobicContact CG1-CD1 3.96Å; I115-F127 HydrophobicContact CG1-CE1 3.69Å; I115-F127 HydrophobicContact CG1-CZ 4.4Å
128	I	98	Very high	93.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.4	180	-68.7	165.6	0	0	0	107.4	V95 F97 L103 I105 W114 Y214	V95-I128 HydrophobicContact CB-CG1 3.85Å; V95-I128 HydrophobicContact CG1-CG1 4.36Å; V95-I128 HydrophobicContact CG2-CG1 3.98Å; F97-I128 HydrophobicContact CE1-CG2 4.42Å; L103-I128 HydrophobicContact CB-CD1 4.13Å; L103-I128 HydrophobicContact CD1-CD1 4.18Å; L103-I128 HydrophobicContact CD1-CG1 4.48Å; L103-I128 HydrophobicContact CD1-CG2 3.84Å; I105-I128 HydrophobicContact CD1-CD1 3.63Å; I105-I128 HydrophobicContact CD1-CG2 4.44Å; W114-I128 HydrophobicContact CB-CB 4.41Å; W114-I128 PolarHBondContact N-O 3.35Å; W114-I128 PolarHBondContact O-N 3.14Å; I128-Y214 HydrophobicContact CG2-CE2 4.47Å; I128-Y214 VanDerWaalsContact CG2-OH 3.29Å; I128-Y214 WeakPolarHBondContact CG2-OH 3.33Å
129	P	97.2	Very high	92.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	139	178.6	29.5	-37.3	0	0	0	110.4	F80 F97 E112 W113 K133 L134 Y214	F80-P129 HydrophobicContact CD1-CG 3.89Å; F80-P129 HydrophobicContact CD2-CG 3.87Å; F80-P129 HydrophobicContact CE1-CG 3.83Å; F80-P129 HydrophobicContact CE2-CB 4.36Å; F80-P129 HydrophobicContact CE2-CG 3.8Å; F80-P129 HydrophobicContact CG-CG 3.91Å; F80-P129 HydrophobicContact CZ-CB 4.39Å; F80-P129 HydrophobicContact CZ-CG 3.77Å; F97-P129 HydrophobicContact CE1-CG 4.32Å; F97-P129 HydrophobicContact CZ-CG 4.4Å; E112-P129 CarbonylContact O-C 3.54Å; E112-P129 WeakPolarHBondContact O-CA 3.48Å; W113-P129 HydrophobicContact CE3-CB 4.32Å; W113-P129 HydrophobicContact CZ3-CB 4.06Å; P129-K133 HydrophobicContact CB-CB 4.04Å; P129-K133 HydrophobicContact CB-CG 3.96Å; P129-L134 HydrophobicContact CB-CD2 4.1Å; P129-L134 HydrophobicContact CB-CG 4.08Å; P129-L134 HydrophobicContact CG-CD1 4.33Å; P129-L134 HydrophobicContact CG-CD2 3.71Å; P129-L134 HydrophobicContact CG-CG 3.99Å; P129-Y214 VanDerWaalsContact O-CE2 3.32Å; P129-Y214 WeakPolarHBondContact O-CE2 3.42Å; P129-Y214 PolarHBondContact O-OH 3.04Å
130	S	97.2	Very high	91.5	Very high	5 Å²	5	53.9 Å²	53.9	4%	0.035	30%	0.301	C	S	.	.			trans	-70.7	163.2	175.6	87.5	0	0	0	0	110.9	N111 E112 A132 K133 L134	N111-S130 WeakPolarHBondContact O-CB 3.48Å; N111-S130 PolarHBondContact O-OG 2.94Å; E112-S130 WeakPolarHBondContact O-CB 3.3Å; E112-S130 PolarHBondContact O-N 2.84Å; S130-A132 PolarHBondContact O-N 3.12Å; S130-A132 PolarHBondContact OG-N 2.86Å; S130-K133 PolarHBondContact O-N 2.66Å; S130-K133 VanDerWaalsContact O-N 3.09Å; S130-K133 PolarHBondContact OG-N 3.17Å; S130-L134 PolarHBondContact O-N 3.34Å
131	P	95.8	Very high	90.3	Very high	38 Å²	38	51.6 Å²	51.6	25%	0.247	30%	0.301	C	S	.	.	H	α-helix	trans	-51.2	-40.1	171.5	-28.6	35.9	0	0	0	113.3	W114 L134 E135 P213 Y214	W114-P131 HydrophobicContact CH2-CG 3.94Å; W114-P131 VanDerWaalsContact CZ2-CD 3.41Å; W114-P131 HydrophobicContact CZ2-CG 4.11Å; P131-L134 PolarHBondContact O-N 3.16Å; P131-E135 WeakPolarHBondContact O-CB 3.07Å; P131-E135 WeakPolarHBondContact O-CG 3.34Å; P131-E135 PolarHBondContact O-N 3Å; P131-P213 HydrophobicContact CB-CG 3.87Å; P131-P213 HydrophobicContact CG-CG 4.45Å; P131-Y214 HydrophobicContact CG-CD2 3.89Å; P131-Y214 HydrophobicContact CG-CE2 4.36Å
132	A	93.5	Very high	89	Confident	61 Å²	61	50.7 Å²	50.7	50%	0.504	31%	0.308	S	S	.	.	H	α-helix	trans	-66.6	-38.8	178.9	0	0	0	0	0	112.4	S130 E135 A136	S130-A132 PolarHBondContact O-N 3.12Å; S130-A132 PolarHBondContact OG-N 2.86Å; A132-E135 PolarHBondContact O-N 3.47Å; A132-A136 WeakPolarHBondContact O-CB 3.46Å; A132-A136 PolarHBondContact O-N 3.3Å
133	K	93.8	Very high	87.5	Confident	13 Å²	13	55.2 Å²	55.2	6%	0.057	30%	0.3	C	S	.	.	H	α-helix	trans	-64.2	-44.9	175.2	-170.7	61.1	160.1	-165.1	0	111.3	D87 E112 P129 S130 A136 M137	D87-K133 IonicContact OD1-NZ 3.11Å; D87-K133 VanDerWaalsContact OD2-CE 3.23Å; D87-K133 WeakPolarHBondContact OD2-CE 3.46Å; D87-K133 IonicContact OD2-NZ 3.84Å; D87-K133 PolarHBondContact OD2-NZ 3.49Å; E112-K133 HydrophobicContact CB-CB 4.25Å; E112-K133 HydrophobicContact CB-CD 3.98Å; E112-K133 HydrophobicContact CB-CG 4.35Å; E112-K133 HydrophobicContact CG-CD 4.14Å; E112-K133 WeakPolarHBondContact O-CB 3.37Å; E112-K133 VanDerWaalsContact OE1-CD 3.29Å; E112-K133 WeakPolarHBondContact OE1-CD 3.36Å; E112-K133 IonicContact OE1-NZ 2.7Å; E112-K133 PolarHBondContact OE1-NZ 2.83Å; E112-K133 IonicContact OE2-NZ 2.74Å; E112-K133 PolarHBondContact OE2-NZ 2.92Å; P129-K133 HydrophobicContact CB-CB 4.04Å; P129-K133 HydrophobicContact CB-CG 3.96Å; S130-K133 PolarHBondContact O-N 2.66Å; S130-K133 VanDerWaalsContact O-N 3.09Å; S130-K133 PolarHBondContact OG-N 3.17Å; K133-A136 PolarHBondContact O-N 2.94Å; K133-M137 HydrophobicContact CG-SD 4.4Å; K133-M137 VanDerWaalsContact O-CG 3.3Å; K133-M137 WeakPolarHBondContact O-CG 3.38Å; K133-M137 PolarHBondContact O-N 3.15Å
134	L	93.4	Very high	85.6	Confident	21 Å²	21	55.9 Å²	55.9	11%	0.11	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-40.2	177.4	-68.4	173	0	0	0	112.6	V78 F80 F97 P129 S130 P131 Q138 P213 Y214	V78-L134 HydrophobicContact CG2-CD1 4.04Å; F80-L134 HydrophobicContact CB-CD2 4.47Å; F80-L134 HydrophobicContact CD2-CD2 3.95Å; F80-L134 HydrophobicContact CG-CD2 4.45Å; F97-L134 HydrophobicContact CZ-CD1 4.45Å; P129-L134 HydrophobicContact CB-CD2 4.1Å; P129-L134 HydrophobicContact CB-CG 4.08Å; P129-L134 HydrophobicContact CG-CD1 4.33Å; P129-L134 HydrophobicContact CG-CD2 3.71Å; P129-L134 HydrophobicContact CG-CG 3.99Å; S130-L134 PolarHBondContact O-N 3.34Å; P131-L134 PolarHBondContact O-N 3.16Å; L134-Q138 WeakPolarHBondContact O-CB 3.28Å; L134-Q138 PolarHBondContact O-N 3.15Å; L134-P213 HydrophobicContact CB-CB 4.41Å; L134-P213 HydrophobicContact CD1-CB 3.68Å; L134-P213 HydrophobicContact CD1-CG 4.25Å; L134-Y214 HydrophobicContact CD1-CE1 4.19Å; L134-Y214 HydrophobicContact CD1-CE2 4.17Å
135	E	89.1	Confident	83.7	Confident	102 Å²	102	59.4 Å²	59.4	48%	0.477	33%	0.329	S	S	.	.	H	α-helix	trans	-66	-39.3	174.4	-74.6	173.9	-162.8	0	0	111.9	P131 A132 N139	P131-E135 WeakPolarHBondContact O-CB 3.07Å; P131-E135 WeakPolarHBondContact O-CG 3.34Å; P131-E135 PolarHBondContact O-N 3Å; A132-E135 PolarHBondContact O-N 3.47Å; E135-N139 WeakPolarHBondContact O-CB 3.39Å; E135-N139 VanDerWaalsContact O-CG 3.26Å; E135-N139 PolarHBondContact O-N 3.48Å; E135-N139 PolarHBondContact O-ND2 2.7Å
136	A	89.3	Confident	81.6	Confident	32 Å²	32	63 Å²	63	26%	0.264	36%	0.355	S	S	.	.	H	α-helix	trans	-62	-51.9	173	0	0	0	0	0	111.6	A132 K133 Q138 N139 F140	A132-A136 WeakPolarHBondContact O-CB 3.46Å; A132-A136 PolarHBondContact O-N 3.3Å; K133-A136 PolarHBondContact O-N 2.94Å; A136-Q138 VanDerWaalsContact C-N 3.33Å; A136-Q138 PolarHBondContact O-N 3.43Å; A136-N139 PolarHBondContact O-N 2.74Å; A136-N139 VanDerWaalsContact O-N 3.09Å; A136-F140 WeakPolarHBondContact O-CD2 3.44Å; A136-F140 PolarHBondContact O-N 3.14Å
137	M	86.8	Confident	79.3	Confident	46 Å²	46	71.7 Å²	71.7	23%	0.227	39%	0.392	C	S	.	.	H	α-helix	trans	-55.9	-45.1	177.3	-70.2	176.3	78.7	0	0	111.9	F80 V84 V85 K133 N139 F140 S141	F80-M137 HydrophobicContact CD2-CE 4.45Å; F80-M137 HydrophobicContact CE2-CE 4.02Å; F80-M137 HydrophobicContact CE2-SD 4.04Å; V84-M137 HydrophobicContact CG2-CE 4.12Å; V85-M137 HydrophobicContact CG1-CE 3.54Å; V85-M137 HydrophobicContact CG1-SD 4.07Å; K133-M137 HydrophobicContact CG-SD 4.4Å; K133-M137 VanDerWaalsContact O-CG 3.3Å; K133-M137 WeakPolarHBondContact O-CG 3.38Å; K133-M137 PolarHBondContact O-N 3.15Å; M137-N139 VanDerWaalsContact C-N 3.32Å; M137-N139 PolarHBondContact O-N 2.89Å; M137-F140 PolarHBondContact O-N 2.9Å; M137-S141 PolarHBondContact O-N 3.17Å; M137-S141 PolarHBondContact O-OG 3.07Å; M137-S141 VanDerWaalsContact O-OG 3.06Å
138	Q	83.6	Confident	76.7	Confident	130 Å²	130	77 Å²	77	61%	0.607	43%	0.429	S	S	*	.	H	α-helix	trans	-61.1	-40	177	-177.6	171.6	71.9	0	0	112.1	L134 A136 A142	L134-Q138 WeakPolarHBondContact O-CB 3.28Å; L134-Q138 PolarHBondContact O-N 3.15Å; A136-Q138 VanDerWaalsContact C-N 3.33Å; A136-Q138 PolarHBondContact O-N 3.43Å; Q138-A142 WeakPolarHBondContact O-CB 3.33Å; Q138-A142 PolarHBondContact O-N 2.95Å
139	N	79.4	Confident	74.2	Confident	97 Å²	97	82 Å²	82	52%	0.519	46%	0.464	S	S	.	.	H	α-helix	trans	-69.3	-36.7	177	-74.2	-28.7	0	0	0	112.6	E135 A136 M137 R143	E135-N139 WeakPolarHBondContact O-CB 3.39Å; E135-N139 VanDerWaalsContact O-CG 3.26Å; E135-N139 PolarHBondContact O-N 3.48Å; E135-N139 PolarHBondContact O-ND2 2.7Å; A136-N139 PolarHBondContact O-N 2.74Å; A136-N139 VanDerWaalsContact O-N 3.09Å; M137-N139 VanDerWaalsContact C-N 3.32Å; M137-N139 PolarHBondContact O-N 2.89Å; N139-R143 WeakPolarHBondContact O-CB 3.42Å; N139-R143 WeakPolarHBondContact O-CG 3.43Å; N139-R143 PolarHBondContact O-N 2.97Å; N139-R143 VanDerWaalsContact O-N 3.08Å
140	F	75.6	Confident	71.6	Confident	149 Å²	149	88.4 Å²	88.4	65%	0.654	50%	0.503	S	S	*	.	H	α-helix	trans	-65	-47.2	172.3	-78.4	-69	0	0	0	111.7	A136 M137 A142 R143 G144	A136-F140 WeakPolarHBondContact O-CD2 3.44Å; A136-F140 PolarHBondContact O-N 3.14Å; M137-F140 PolarHBondContact O-N 2.9Å; F140-A142 VanDerWaalsContact C-N 3.31Å; F140-A142 PolarHBondContact O-N 2.96Å; F140-R143 PolarHBondContact O-N 3.15Å; F140-R143 VanDerWaalsContact O-N 3.13Å; F140-G144 PolarHBondContact O-N 2.93Å
141	S	69.5	Low	68.9	Low	82 Å²	82	91.5 Å²	91.5	57%	0.573	54%	0.536	S	S	*	.	H	α-helix	trans	-57.5	-43.2	175.7	-53.8	0	0	0	0	112.2	M137 R143 G144 M145	M137-S141 PolarHBondContact O-N 3.17Å; M137-S141 PolarHBondContact O-OG 3.07Å; M137-S141 VanDerWaalsContact O-OG 3.06Å; S141-R143 VanDerWaalsContact C-N 3.34Å; S141-R143 PolarHBondContact O-N 3.2Å; S141-G144 PolarHBondContact O-N 2.93Å; S141-M145 PolarHBondContact O-N 3.28Å
142	A	62.5	Low	66.3	Low	64 Å²	64	97.4 Å²	97.4	53%	0.529	57%	0.566	S	S	.	*	H	α-helix	trans	-65.3	-33.8	177.6	0	0	0	0	0	113.4	Q138 F140	Q138-A142 WeakPolarHBondContact O-CB 3.33Å; Q138-A142 PolarHBondContact O-N 2.95Å; F140-A142 VanDerWaalsContact C-N 3.31Å; F140-A142 PolarHBondContact O-N 2.96Å
143	R	58.5	Low	63.9	Low	175 Å²	175	102.5 Å²	102.5	66%	0.66	58%	0.577	S	S	*	*	H	α-helix	trans	-77.2	-32.1	175.7	-74.7	175.4	174.1	-172.5	-1.6	113	N139 F140 S141 M145 S146	N139-R143 WeakPolarHBondContact O-CB 3.42Å; N139-R143 WeakPolarHBondContact O-CG 3.43Å; N139-R143 PolarHBondContact O-N 2.97Å; N139-R143 VanDerWaalsContact O-N 3.08Å; F140-R143 PolarHBondContact O-N 3.15Å; F140-R143 VanDerWaalsContact O-N 3.13Å; S141-R143 VanDerWaalsContact C-N 3.34Å; S141-R143 PolarHBondContact O-N 3.2Å; R143-M145 VanDerWaalsContact C-N 3.29Å; R143-M145 PolarHBondContact O-N 3.23Å; R143-S146 PolarHBondContact O-N 3.33Å; R143-S146 VanDerWaalsContact O-N 3.14Å; R143-S146 PolarHBondContact O-OG 3.38Å
144	G	52.8	Low	61.3	Low	53 Å²	53	109.4 Å²	109.4	55%	0.546	61%	0.614	S	S	.	*	H	α-helix	trans	-58.5	-42.4	175.9	0	0	0	0	0	112.1	F140 S141 S146 K147	F140-G144 PolarHBondContact O-N 2.93Å; S141-G144 PolarHBondContact O-N 2.93Å; G144-S146 PolarHBondContact O-N 2.88Å; G144-S146 VanDerWaalsContact O-N 3.11Å; G144-K147 PolarHBondContact O-N 2.8Å
145	M	52.2	Low	59	Low	168 Å²	168	113.8 Å²	113.8	83%	0.828	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-3.9	178.1	-62.1	-178.2	75.1	0	0	114.9	S141 R143	S141-M145 PolarHBondContact O-N 3.28Å; R143-M145 VanDerWaalsContact C-N 3.29Å; R143-M145 PolarHBondContact O-N 3.23Å
146	S	50.7	Low	56.7	Low	84 Å²	84	112.9 Å²	112.9	59%	0.587	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	0.8	-179	70.3	0	0	0	0	115.1	R143 G144	R143-S146 PolarHBondContact O-N 3.33Å; R143-S146 VanDerWaalsContact O-N 3.14Å; R143-S146 PolarHBondContact O-OG 3.38Å; G144-S146 PolarHBondContact O-N 2.88Å; G144-S146 VanDerWaalsContact O-N 3.11Å
147	K	48.5	Very low	54.6	Low	185 Å²	185	122 Å²	122	80%	0.804	67%	0.67	S	S	*	*	S	Bend	trans	-99	-1.6	-177	-82.3	-165.9	171.1	-170.8	0	115.6	G144 S149	G144-K147 PolarHBondContact O-N 2.8Å; K147-S149 PolarHBondContact O-N 3.32Å
148	S	43.4	Very low	52.7	Low	111 Å²	111	126.8 Å²	126.8	78%	0.776	70%	0.703	S	S	*	*	S	Bend	trans	-90.7	13.5	-171.3	53.6	0	0	0	0	116.1
149	S	44.8	Very low	50.5	Low	106 Å²	106	123.8 Å²	123.8	74%	0.741	71%	0.707	S	S	*	*	S	Bend	trans	-140	37.3	-175.7	72	0	0	0	0	116.5	K147	K147-S149 PolarHBondContact O-N 3.32Å
150	T	43.7	Very low	48.7	Very low	134 Å²	134	127.2 Å²	127.2	82%	0.822	73%	0.725	S	S	*	*			trans	-140.9	92.1	157.6	44.5	0	0	0	0	110
151	G	39.8	Very low	47.1	Very low	70 Å²	70	125.5 Å²	125.5	72%	0.722	73%	0.731	S	S	*	*			trans	-86.6	-179	158.4	0	0	0	0	0	111.3
152	N	42.4	Very low	45.6	Very low	163 Å²	163	133.4 Å²	133.4	87%	0.872	75%	0.748	S	S	*	*			trans	73.5	112.3	171	-70.8	35.2	0	0	0	118.3
153	F	41.8	Very low	44.8	Very low	167 Å²	167	136 Å²	136	73%	0.732	76%	0.76	S	S	*	*				84.2	80.4	125.1	-153.5	-99.4	0	0	0	117.5	N155	F153-N155 HydrophobicContact CD1-CB 4.03Å; F153-N155 HydrophobicContact CD2-CB 4.34Å; F153-N155 HydrophobicContact CE1-CB 3.49Å; F153-N155 VanDerWaalsContact CE1-CB 3.49Å; F153-N155 HydrophobicContact CE2-CB 3.83Å; F153-N155 HydrophobicContact CG-CB 4.45Å; F153-N155 HydrophobicContact CZ-CB 3.39Å
154	D	39.2	Very low	43.9	Very low	158 Å²	158	132.7 Å²	132.7	85%	0.845	76%	0.764	S	S	*	*			trans	-75.9	122.1	134.3	-175.2	6	0	0	0	108.2
155	N	44.7	Very low	43.5	Very low	114 Å²	114	136.6 Å²	136.6	61%	0.61	78%	0.777	S	S	*	*			trans	-149.6	137.5	154.4	-168.6	11.1	0	0	0	108.2	F153	F153-N155 HydrophobicContact CD1-CB 4.03Å; F153-N155 HydrophobicContact CD2-CB 4.34Å; F153-N155 HydrophobicContact CE1-CB 3.49Å; F153-N155 VanDerWaalsContact CE1-CB 3.49Å; F153-N155 HydrophobicContact CE2-CB 3.83Å; F153-N155 HydrophobicContact CG-CB 4.45Å; F153-N155 HydrophobicContact CZ-CB 3.39Å
156	S	42.4	Very low	42.9	Very low	83 Å²	83	134 Å²	134	58%	0.58	77%	0.773	S	S	*	*			trans	-86.3	153.1	-169.1	-157.9	0	0	0	0	112.8
157	R	45.2	Very low	42.5	Very low	222 Å²	222	136.3 Å²	136.3	84%	0.838	79%	0.786	S	S	*	*			trans	80.3	145.7	164.4	-52	167.5	-177.3	-171.5	-2.2	116.7
158	T	45.5	Very low	42.2	Very low	148 Å²	148	131.9 Å²	131.9	91%	0.908	78%	0.784	S	S	*	*			trans	64.3	131.1	-171.3	75.8	0	0	0	0	113.3
159	G	37.7	Very low	42	Very low	67 Å²	67	134.7 Å²	134.7	69%	0.691	79%	0.79	S	S	*	*			cis	120.6	67.5	1.1	0	0	0	0	0	112.4
160	N	42.2	Very low	41.8	Very low	169 Å²	169	133.3 Å²	133.3	90%	0.904	79%	0.792	S	S	*	*			trans	-164.2	130.2	144.5	-102.1	-21.8	0	0	0	112.6
161	S	42.6	Very low	41.7	Very low	113 Å²	113	131.1 Å²	131.1	79%	0.79	79%	0.788	S	S	*	*			trans	-60.6	148	-177.1	-41.2	0	0	0	0	114.9
162	R	37.5	Very low	41.7	Very low	247 Å²	247	135.1 Å²	135.1	93%	0.932	79%	0.793	S	S	*	*				-164.8	155.5	128.3	-104.3	-176	168.8	176.9	-4.3	110.5
163	P	44.8	Very low	41.8	Very low	119 Å²	119	133.3 Å²	133.3	77%	0.773	79%	0.788	S	S	*	*				-133.1	-174.2	-121.9	34.3	-12.1	0	0	0	115.7
164	S	39	Very low	42.1	Very low	105 Å²	105	132.4 Å²	132.4	73%	0.734	79%	0.789	S	S	*	*			trans	-74.8	-165.7	-172.1	-39.5	0	0	0	0	116.2
165	T	45.9	Very low	42.2	Very low	135 Å²	135	131.3 Å²	131.3	83%	0.828	78%	0.783	S	S	*	*			trans	85.6	137.4	159.2	32.6	0	0	0	0	119.3
166	P	39.6	Very low	42.2	Very low	113 Å²	113	135.2 Å²	135.2	73%	0.734	79%	0.79	S	S	*	*			trans	-82.3	166.6	179.7	36.6	-36.5	0	0	0	112.3
167	P	40.8	Very low	42.3	Very low	134 Å²	134	135.6 Å²	135.6	87%	0.87	79%	0.792	S	S	*	*			trans	-78.2	136.5	-168.3	30.6	-35.8	0	0	0	114
168	A	42.1	Very low	42.3	Very low	91 Å²	91	133 Å²	133	75%	0.752	78%	0.783	S	S	*	*			trans	-145.1	141	163.1	0	0	0	0	0	110
169	D	39.8	Very low	42.3	Very low	170 Å²	170	132.4 Å²	132.4	91%	0.909	78%	0.775	S	S	*	*			trans	-1.9	133.9	169.2	-48.1	-34.7	0	0	0	120.7
170	G	41.8	Very low	42.7	Very low	77 Å²	77	137.6 Å²	137.6	79%	0.794	78%	0.781	S	S	*	*			trans	164.1	113.7	157.6	0	0	0	0	0	117.8
171	A	41	Very low	42.9	Very low	89 Å²	89	136.3 Å²	136.3	74%	0.736	77%	0.774	S	S	*	*			trans	53.5	104.2	150.6	0	0	0	0	0	121.2
172	D	40	Very low	43.1	Very low	154 Å²	154	136.3 Å²	136.3	82%	0.824	77%	0.774	S	S	*	*				44.6	125.4	118.1	-49.1	-39	0	0	0	121.9
173	T	44.7	Very low	43.3	Very low	125 Å²	125	132.5 Å²	132.5	77%	0.767	77%	0.772	S	S	*	*				-177.8	114.6	115.7	-76.6	0	0	0	0	112.5
174	I	46.5	Very low	43.1	Very low	148 Å²	148	130.7 Å²	130.7	76%	0.759	77%	0.768	S	S	*	*			trans	35.3	118	137.9	-48.3	172.4	0	0	0	116.7
175	N	42.1	Very low	43.2	Very low	135 Å²	135	135.7 Å²	135.7	72%	0.722	77%	0.77	S	S	*	*				-165.2	176	59.8	-148.2	-6.3	0	0	0	115.8
176	R	43.9	Very low	42.9	Very low	195 Å²	195	138.4 Å²	138.4	74%	0.736	77%	0.766	S	S	*	*			trans	-64.1	175.9	176	-48.8	151.5	177.8	-106.1	2.4	112.9
177	S	45.4	Very low	43.1	Very low	91 Å²	91	140.9 Å²	140.9	64%	0.636	77%	0.767	S	S	*	*			cis	-167.5	147.3	21.3	87.5	0	0	0	0	115.7
178	Y	45.8	Very low	42.9	Very low	167 Å²	167	140.8 Å²	140.8	66%	0.655	77%	0.765	S	S	*	*			trans	45.1	123.4	142.6	-46.9	-51.5	0	0	0	123.5
179	D	45.1	Very low	43	Very low	137 Å²	137	141.7 Å²	141.7	73%	0.733	76%	0.763	S	S	*	*				53.9	155.6	122.2	-51.2	-55.9	0	0	0	121.5
180	E	46.9	Very low	42.9	Very low	176 Å²	176	139.6 Å²	139.6	82%	0.822	76%	0.761	S	S	*	*			cis	-152.6	-180	2.6	-141.8	176	-177	0	0	112
181	D	44.8	Very low	42.6	Very low	141 Å²	141	139.3 Å²	139.3	75%	0.754	76%	0.758	S	S	*	*			trans	-21.8	143.2	172.8	-85.4	-18.3	0	0	0	121.7
182	S	48.2	Very low	42.6	Very low	113 Å²	113	144.9 Å²	144.9	79%	0.79	77%	0.766	S	S	*	*				165.9	103.8	112.7	-77.9	0	0	0	0	117.2
183	N	40.6	Very low	42.5	Very low	167 Å²	167	142.2 Å²	142.2	89%	0.893	77%	0.765	S	S	*	*				55	160.1	125.4	-134.7	-22.8	0	0	0	124.5
184	A	42.1	Very low	42	Very low	82 Å²	82	141.4 Å²	141.4	68%	0.678	76%	0.764	S	S	*	*			trans	81.2	98.9	156.3	0	0	0	0	0	123
185	R	40.5	Very low	41.7	Very low	209 Å²	209	141.3 Å²	141.3	79%	0.789	77%	0.77	S	S	*	*				75.6	97.7	116.7	-167.1	179.6	-179.4	-158.2	-1.1	121.3
186	R	40.1	Very low	41.4	Very low	193 Å²	193	140.4 Å²	140.4	73%	0.728	78%	0.775	S	S	*	*				49.8	109.4	123.4	-174.1	-142	-76.7	-166.9	-6.8	119.4
187	E	42.6	Very low	41.1	Very low	165 Å²	165	135.7 Å²	135.7	77%	0.771	78%	0.777	S	S	*	*				-172.4	174.7	120.1	-108.8	144.2	-131.6	0	0	113.4
188	T	37.3	Very low	40.9	Very low	132 Å²	132	143.4 Å²	143.4	81%	0.81	79%	0.792	S	S	*	*			trans	-133.6	179.9	-171.9	65	0	0	0	0	110
189	P	43	Very low	40.4	Very low	110 Å²	110	138.8 Å²	138.8	71%	0.714	80%	0.796	S	S	*	*			cis	-133	-167.1	-10.7	35.4	-14.5	0	0	0	114.4
190	S	38.1	Very low	40.3	Very low	126 Å²	126	136 Å²	136	88%	0.881	80%	0.799	S	S	*	*			trans	91.8	137.8	149.6	82.7	0	0	0	0	120.4
191	G	36.8	Very low	40.6	Very low	70 Å²	70	138.3 Å²	138.3	72%	0.722	80%	0.8	S	S	*	*			trans	138.4	104.7	161	0	0	0	0	0	118
192	K	39.7	Very low	41.2	Very low	207 Å²	207	140.4 Å²	140.4	90%	0.9	80%	0.803	S	S	*	*			trans	71.9	99.1	147.6	-57.9	174.4	-177.6	175.4	0	120.9
193	A	38.1	Very low	41.4	Very low	97 Å²	97	139.5 Å²	139.5	80%	0.802	79%	0.794	S	S	*	*				68	131.5	117.9	0	0	0	0	0	123.6
194	S	34.8	Very low	42.2	Very low	108 Å²	108	140.4 Å²	140.4	76%	0.755	79%	0.79	S	S	*	*			trans	62.8	104.8	142.3	-165	0	0	0	0	120.9
195	V	40.5	Very low	43.1	Very low	146 Å²	146	146.1 Å²	146.1	89%	0.885	80%	0.801	S	S	*	*				-154.7	149.7	115.6	-100.2	0	0	0	0	111.1
196	S	35.6	Very low	43.4	Very low	117 Å²	117	144.3 Å²	144.3	82%	0.818	80%	0.798	S	S	*	*			trans	-84.5	-169.9	179.7	-57.3	0	0	0	0	112.9
197	A	37.3	Very low	43.8	Very low	95 Å²	95	144.3 Å²	144.3	79%	0.785	80%	0.804	S	S	*	*			trans	70.8	77.4	164.9	0	0	0	0	0	117.9
198	R	40.3	Very low	44.3	Very low	253 Å²	253	140.6 Å²	140.6	96%	0.955	80%	0.796	S	S	*	*			trans	-125.1	91	142	-75.3	-167.7	173.9	-168.9	-1.6	110.2	G200	R198-G200 PolarHBondContact O-N 3.34Å
199	G	36.8	Very low	45.3	Very low	71 Å²	71	141 Å²	141	73%	0.732	79%	0.793	S	S	*	*			trans	-60.2	127.7	170.4	0	0	0	0	0	110.4	R201	G199-R201 PolarHBondContact O-N 3.31Å
200	G	42.9	Very low	46.6	Very low	77 Å²	77	142.2 Å²	142.2	79%	0.794	79%	0.794	S	S	*	*			trans	-66	105.2	-177.3	0	0	0	0	0	111.6	R198 K202	R198-G200 PolarHBondContact O-N 3.34Å; G200-K202 PolarHBondContact O-N 2.86Å; G200-K202 VanDerWaalsContact O-N 3.13Å
201	R	52	Low	48.8	Very low	225 Å²	225	140.9 Å²	140.9	85%	0.849	78%	0.776	S	S	*	*			trans	-56.1	118	169.8	-70.8	-177.4	174.8	-176.7	-2.8	108.5	G199	G199-R201 PolarHBondContact O-N 3.31Å
202	K	56.9	Low	51.3	Low	185 Å²	185	140.1 Å²	140.1	80%	0.804	76%	0.758	S	S	*	*			trans	-54.4	127.7	174.5	-72.9	179.8	177	177.3	0	108.6	G200 F204	G200-K202 PolarHBondContact O-N 2.86Å; G200-K202 VanDerWaalsContact O-N 3.13Å; K202-F204 PolarHBondContact O-N 3.42Å; K202-F204 VanDerWaalsContact O-N 3.07Å
203	P	54.2	Low	54	Low	95 Å²	95	130.8 Å²	130.8	62%	0.617	72%	0.719	S	S	*	*			trans	-61.1	114.3	-179.9	-25.6	35	0	0	0	111.1	F205 K206	P203-F205 PolarHBondContact O-N 3.02Å; P203-K206 HydrophobicContact CB-CB 4.46Å; P203-K206 PolarHBondContact O-N 2.69Å
204	F	56.6	Low	56.7	Low	185 Å²	185	126.9 Å²	126.9	81%	0.811	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-13.5	-167.1	-77.7	-86.5	0	0	0	115.8	K202	K202-F204 PolarHBondContact O-N 3.42Å; K202-F204 VanDerWaalsContact O-N 3.07Å
205	F	61.1	Low	59.6	Low	203 Å²	203	122 Å²	122	89%	0.89	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	1.3	177.4	-63.1	-73.3	0	0	0	114.4	P203 K207	P203-F205 PolarHBondContact O-N 3.02Å; F205-K207 PolarHBondContact O-N 3.26Å
206	K	46.2	Very low	62.2	Low	171 Å²	171	118.9 Å²	118.9	74%	0.743	63%	0.63	S	S	*	*			trans	-77.2	91.9	173.7	-169.9	175.3	-175.5	179	0	109.5	P203 S208	P203-K206 HydrophobicContact CB-CB 4.46Å; P203-K206 PolarHBondContact O-N 2.69Å; K206-S208 PolarHBondContact O-N 3.14Å
207	K	49.8	Very low	65.1	Low	192 Å²	192	113.4 Å²	113.4	84%	0.835	59%	0.592	S	S	*	*			trans	-49.9	109.6	162.9	-69.2	177	179.5	174.5	0	107.9	F205 D209	F205-K207 PolarHBondContact O-N 3.26Å; K207-D209 PolarHBondContact O-N 3.16Å
208	S	53.1	Low	68	Low	88 Å²	88	109 Å²	109	62%	0.615	56%	0.555	S	S	*	*			trans	-73	112.1	168.7	50.1	0	0	0	0	107.1	K206 N210	K206-S208 PolarHBondContact O-N 3.14Å; S208-N210 WeakPolarHBondContact CB-OD1 3.34Å; S208-N210 PolarHBondContact O-N 3.04Å; S208-N210 PolarHBondContact O-OD1 3.37Å; S208-N210 PolarHBondContact OG-OD1 2.89Å
209	D	56.8	Low	70.6	Confident	140 Å²	140	97.9 Å²	97.9	75%	0.749	52%	0.516	S	S	*	.			trans	-64.5	93.8	159.1	-75	-46.9	0	0	0	106.1	K207 L211	K207-D209 PolarHBondContact O-N 3.16Å; D209-L211 PolarHBondContact O-N 3.13Å
210	N	70.8	Confident	73.5	Confident	136 Å²	136	94.5 Å²	94.5	73%	0.727	48%	0.481	S	S	*	.			trans	-65.1	90.7	173.5	-75.8	21.5	0	0	0	107.5	S208	S208-N210 WeakPolarHBondContact CB-OD1 3.34Å; S208-N210 PolarHBondContact O-N 3.04Å; S208-N210 PolarHBondContact O-OD1 3.37Å; S208-N210 PolarHBondContact OG-OD1 2.89Å
211	L	83.6	Confident	76.1	Confident	98 Å²	98	92.1 Å²	92.1	51%	0.513	45%	0.448	S	S	.	.			trans	-67.1	119.8	176.6	-172.4	70.6	0	0	0	107.5	N77 D209	N77-L211 HydrophobicContact CB-CD2 3.79Å; N77-L211 HydrophobicContact CB-CG 4.1Å; D209-L211 PolarHBondContact O-N 3.13Å
212	P	91.3	Very high	78.3	Confident	53 Å²	53	81.4 Å²	81.4	34%	0.344	41%	0.408	S	S	.	.			trans	-62.6	151.1	-178	27.1	-35.2	0	0	0	110.1	N77 Y214	N77-P212 WeakPolarHBondContact CB-O 3.21Å; N77-P212 PolarHBondContact ND2-O 3.24Å; P212-Y214 PolarHBondContact O-N 2.95Å
213	P	94.3	Very high	80.3	Confident	12 Å²	12	72.6 Å²	72.6	8%	0.078	37%	0.37	C	S	.	.	S	Bend	trans	-58.3	-24.8	-178.9	22.6	-33	0	0	0	112.8	N77 V78 P131 L134	N77-P213 PolarHBondContact N-O 3.21Å; V78-P213 HydrophobicContact CG1-CB 4.48Å; V78-P213 HydrophobicContact CG2-CB 3.73Å; P131-P213 HydrophobicContact CB-CG 3.87Å; P131-P213 HydrophobicContact CG-CG 4.45Å; L134-P213 HydrophobicContact CB-CB 4.41Å; L134-P213 HydrophobicContact CD1-CB 3.68Å; L134-P213 HydrophobicContact CD1-CG 4.25Å
214	Y	96.5	Very high	82.4	Confident	15 Å²	15	68.1 Å²	68.1	6%	0.059	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.6	176.6	-60.1	-38.4	0	0	0	111.1	V74 T76 F97 L103 W114 I128 P129 P131 L134 P212	V74-Y214 HydrophobicContact CB-CD1 4.5Å; V74-Y214 HydrophobicContact CB-CG 4.22Å; V74-Y214 HydrophobicContact CG1-CG 4.43Å; V74-Y214 HydrophobicContact CG2-CD1 4.01Å; V74-Y214 HydrophobicContact CG2-CD2 4.47Å; V74-Y214 HydrophobicContact CG2-CG 3.99Å; T76-Y214 HydrophobicContact CG2-CD1 4.23Å; T76-Y214 HydrophobicContact CG2-CE1 4.08Å; F97-Y214 HydrophobicContact CE1-CE1 4.46Å; F97-Y214 HydrophobicContact CE2-CE1 4.12Å; F97-Y214 AromaticContact CZ-CE1 3.77Å; F97-Y214 HydrophobicContact CZ-CE1 3.77Å; F97-Y214 AromaticContact CZ-CZ 3.97Å; F97-Y214 VanDerWaalsContact CZ-OH 3.25Å; F97-Y214 WeakPolarHBondContact CZ-OH 3.44Å; L103-Y214 HydrophobicContact CD1-CE1 3.96Å; W114-Y214 HydrophobicContact CE3-CE2 4.24Å; W114-Y214 AromaticContact CH2-CD2 3.96Å; W114-Y214 HydrophobicContact CH2-CD2 3.96Å; W114-Y214 HydrophobicContact CH2-CE2 4.33Å; W114-Y214 AromaticContact CZ3-CD2 3.62Å; W114-Y214 HydrophobicContact CZ3-CD2 3.62Å; W114-Y214 AromaticContact CZ3-CE2 3.76Å; W114-Y214 HydrophobicContact CZ3-CE2 3.76Å; I128-Y214 HydrophobicContact CG2-CE2 4.47Å; I128-Y214 VanDerWaalsContact CG2-OH 3.29Å; I128-Y214 WeakPolarHBondContact CG2-OH 3.33Å; P129-Y214 VanDerWaalsContact O-CE2 3.32Å; P129-Y214 WeakPolarHBondContact O-CE2 3.42Å; P129-Y214 PolarHBondContact O-OH 3.04Å; P131-Y214 HydrophobicContact CG-CD2 3.89Å; P131-Y214 HydrophobicContact CG-CE2 4.36Å; L134-Y214 HydrophobicContact CD1-CE1 4.19Å; L134-Y214 HydrophobicContact CD1-CE2 4.17Å; P212-Y214 PolarHBondContact O-N 2.95Å
215	D	94.9	Very high	84.4	Confident	6 Å²	6	59.3 Å²	59.3	3%	0.032	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.7	160.4	-76.5	-43	0	0	0	108.5	V74 R75 N77 R269	V74-D215 CarbonylContact C-O 3.6Å; V74-D215 WeakPolarHBondContact CA-O 3.29Å; V74-D215 WeakPolarHBondContact CB-O 3.17Å; R75-D215 IonicContact CZ-OD2 3.42Å; R75-D215 PolarHBondContact N-O 3.12Å; R75-D215 IonicContact NH1-OD2 2.99Å; R75-D215 IonicContact NH2-OD2 3.59Å; R75-D215 PolarHBondContact NH2-OD2 3.13Å; R75-D215 PolarHBondContact O-N 2.9Å; N77-D215 VanDerWaalsContact ND2-CG 3.31Å; N77-D215 PolarHBondContact ND2-OD2 3Å; N77-D215 VanDerWaalsContact ND2-OD2 3.09Å; D215-R269 VanDerWaalsContact CG-CD 3.43Å; D215-R269 VanDerWaalsContact CG-NE 3.33Å; D215-R269 VanDerWaalsContact OD1-CD 3.29Å; D215-R269 WeakPolarHBondContact OD1-CD 3.35Å; D215-R269 IonicContact OD1-NE 2.71Å; D215-R269 PolarHBondContact OD1-NE 3.29Å; D215-R269 WeakPolarHBondContact OD2-CD 3.48Å; D215-R269 IonicContact OD2-CZ 2.71Å; D215-R269 VanDerWaalsContact OD2-CZ 3.31Å; D215-R269 IonicContact OD2-NE 3.93Å; D215-R269 PolarHBondContact OD2-NE 3.34Å; D215-R269 IonicContact OD2-NH2 1.92Å; D215-R269 PolarHBondContact OD2-NH2 3.05Å
216	V	95.9	Very high	86.1	Confident	80 Å²	80	49.7 Å²	49.7	49%	0.485	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	134.7	171.3	179.9	0	0	0	0	109.9	V74 F301	V74-V216 HydrophobicContact CG1-CG2 4.23Å; V216-F301 HydrophobicContact CG1-CE1 4.36Å
217	V	96.8	Very high	88.6	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	162.4	-173.2	-55.8	0	0	0	0	111.8	V73 R75 F102 S327 A329	V73-V217 HydrophobicContact CB-CG2 4.15Å; V73-V217 HydrophobicContact CG1-CG2 3.68Å; V73-V217 PolarHBondContact O-N 3.25Å; R75-V217 HydrophobicContact CB-CG1 3.81Å; F102-V217 HydrophobicContact CD1-CG2 4.04Å; F102-V217 HydrophobicContact CE1-CG2 4.17Å; V217-S327 WeakPolarHBondContact CA-O 3.32Å; V217-S327 WeakPolarHBondContact CG1-O 3.49Å; V217-A329 HydrophobicContact CB-CB 4.26Å; V217-A329 HydrophobicContact CG1-CB 3.78Å
218	P	97.2	Very high	90.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	19%	0.185	C	C	.	.			trans	-58.4	143.9	176.3	-23.6	33.7	0	0	0	112.5	M220 I300 F301 A304 S327 L328	P218-M220 PolarHBondContact O-N 2.75Å; P218-M220 VanDerWaalsContact O-N 3.15Å; P218-I300 HydrophobicContact CG-CG2 4.5Å; P218-F301 HydrophobicContact CB-CD1 4.43Å; P218-F301 HydrophobicContact CB-CG 4.48Å; P218-F301 HydrophobicContact CG-CD1 4.28Å; P218-F301 HydrophobicContact CG-CD2 3.86Å; P218-F301 HydrophobicContact CG-CE1 4.17Å; P218-F301 HydrophobicContact CG-CE2 3.75Å; P218-F301 HydrophobicContact CG-CG 4.14Å; P218-F301 HydrophobicContact CG-CZ 3.91Å; P218-A304 HydrophobicContact CB-CB 3.55Å; P218-S327 WeakPolarHBondContact CD-O 3.42Å; P218-L328 WeakPolarHBondContact CD-O 3.34Å; P218-L328 HydrophobicContact CG-CD2 4.01Å
219	S	95.3	Very high	92.9	Very high	20 Å²	20	28.4 Å²	28.4	14%	0.14	16%	0.156	C	C	.	.	S	Bend	trans	-64.3	-24.2	-171.6	-56.1	0	0	0	0	115.1	H104	H104-S219 PolarHBondContact NE2-O 2.95Å
220	M	96.8	Very high	94.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.123	C	C	.	.	S	Bend	trans	-122.6	130.3	163.9	-73.3	-70.6	-79	0	0	107.6	P218 A304 Q307 Q308 L309 Y399 W400 S403	P218-M220 PolarHBondContact O-N 2.75Å; P218-M220 VanDerWaalsContact O-N 3.15Å; M220-A304 HydrophobicContact CB-CB 4.38Å; M220-A304 WeakPolarHBondContact O-CB 3.44Å; M220-Q307 HydrophobicContact CG-CB 4.44Å; M220-Q308 WeakPolarHBondContact CB-O 3.44Å; M220-Q308 WeakPolarHBondContact CG-O 3.4Å; M220-L309 HydrophobicContact CE-CD2 3.82Å; M220-L309 HydrophobicContact CE-CG 4.48Å; M220-Y399 HydrophobicContact CE-CD1 4.29Å; M220-Y399 HydrophobicContact CE-CE1 3.7Å; M220-Y399 HydrophobicContact SD-CE1 4.05Å; M220-W400 HydrophobicContact CE-CE3 4.14Å; M220-W400 HydrophobicContact CE-CZ3 4.31Å; M220-S403 VanDerWaalsContact SD-CB 3.51Å; M220-S403 PolarHBondContact SD-OG 2.85Å
221	R	97.9	Very high	96.1	Very high	27 Å²	27	16.4 Å²	16.4	10%	0.102	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-65.5	125.7	-179.5	-65.9	174.9	68.3	-165	1.6	109.3	F102 V223 A329 P330 I331 D377 Y399	F102-R221 HydrophobicContact CD1-CG 4.21Å; F102-R221 HydrophobicContact CE1-CG 3.78Å; F102-R221 VanDerWaalsContact CZ-CD 3.45Å; F102-R221 HydrophobicContact CZ-CG 4.1Å; R221-V223 PolarHBondContact O-N 2.95Å; R221-A329 PolarHBondContact NE-O 3.2Å; R221-P330 PolarHBondContact NH2-O 3.04Å; R221-I331 HydrophobicContact CB-CD1 3.93Å; R221-I331 HydrophobicContact CB-CG1 3.77Å; R221-D377 IonicContact CZ-OD1 2.96Å; R221-D377 IonicContact CZ-OD2 3.65Å; R221-D377 IonicContact NH1-OD1 2.71Å; R221-D377 PolarHBondContact NH1-OD1 2.76Å; R221-D377 IonicContact NH2-OD1 3.48Å; R221-D377 PolarHBondContact NH2-OD1 2.91Å; R221-D377 IonicContact NH2-OD2 2.66Å; R221-D377 PolarHBondContact NH2-OD2 2.87Å; R221-Y399 PolarHBondContact N-OH 3.42Å
222	P	98.2	Very high	96.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-68.1	131.8	176.4	24.7	-30.8	0	0	0	110.9	I300 V310 L312 L328 P330 I331	P222-I300 HydrophobicContact CB-CG2 4.19Å; P222-I300 HydrophobicContact CG-CG2 4.1Å; P222-V310 CarbonylContact C-O 3.58Å; P222-V310 WeakPolarHBondContact CA-O 3.4Å; P222-V310 HydrophobicContact CB-CG1 4.38Å; P222-L312 HydrophobicContact CB-CD1 3.62Å; P222-L312 HydrophobicContact CB-CD2 4.47Å; P222-L312 HydrophobicContact CB-CG 3.82Å; P222-L312 HydrophobicContact CG-CD1 4.23Å; P222-L328 WeakPolarHBondContact CD-O 3.43Å; P222-L328 HydrophobicContact CG-CB 4.17Å; P222-P330 HydrophobicContact CG-CB 4.22Å; P222-P330 CarbonylContact O-C 3.59Å; P222-P330 WeakPolarHBondContact O-CA 3.5Å; P222-P330 WeakPolarHBondContact O-CB 3.43Å; P222-I331 PolarHBondContact O-N 2.9Å
223	V	98.6	Very high	97	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.2	176.2	-171.9	0	0	0	0	109.7	R221 V310 V311 L312 I331 V333 L396	R221-V223 PolarHBondContact O-N 2.95Å; V223-V310 PolarHBondContact N-O 3.24Å; V223-V311 HydrophobicContact CB-CB 4.44Å; V223-V311 HydrophobicContact CB-CG1 4.29Å; V223-V311 HydrophobicContact CB-CG2 4.05Å; V223-V311 HydrophobicContact CG2-CG2 4.25Å; V223-L312 PolarHBondContact O-N 3.43Å; V223-I331 CarbonylContact C-O 3.54Å; V223-I331 WeakPolarHBondContact CA-O 3.34Å; V223-I331 HydrophobicContact CG1-CG2 4.3Å; V223-I331 HydrophobicContact CG2-CB 4.23Å; V223-I331 HydrophobicContact CG2-CD1 4.33Å; V223-I331 HydrophobicContact CG2-CG2 4.44Å; V223-V333 HydrophobicContact CG1-CG2 3.78Å; V223-L396 HydrophobicContact CG2-CD2 3.77Å
224	V	98.5	Very high	97.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	123.7	179.7	-177.1	0	0	0	0	109.8	I226 L312 I317 L323 P330 I331 V333	V224-I226 HydrophobicContact CG1-CG1 4.27Å; V224-L312 HydrophobicContact CG2-CB 4.35Å; V224-L312 HydrophobicContact CG2-CD1 4.38Å; V224-I317 HydrophobicContact CG1-CG2 4.09Å; V224-L323 HydrophobicContact CB-CD1 4.41Å; V224-L323 HydrophobicContact CG1-CD1 4.18Å; V224-L323 HydrophobicContact CG2-CD1 3.92Å; V224-P330 HydrophobicContact CB-CB 4.5Å; V224-P330 HydrophobicContact CG2-CB 3.78Å; V224-I331 PolarHBondContact N-O 3.44Å; V224-V333 PolarHBondContact O-N 3.48Å
225	L	98.5	Very high	97.2	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.4	176	-54.6	-171.5	0	0	0	111	K231 Q240 L243 F244 V333	L225-K231 WeakPolarHBondContact O-CE 3.47Å; L225-Q240 VanDerWaalsContact C-NE2 3.34Å; L225-Q240 HydrophobicContact CB-CG 4.21Å; L225-Q240 HydrophobicContact CD1-CB 4.16Å; L225-Q240 HydrophobicContact CD1-CG 4.38Å; L225-Q240 PolarHBondContact O-NE2 3.23Å; L225-Q240 PolarHBondContact O-OE1 3.22Å; L225-L243 HydrophobicContact CD1-CB 3.84Å; L225-L243 HydrophobicContact CD1-CD1 4.07Å; L225-F244 HydrophobicContact CB-CZ 4.36Å; L225-F244 HydrophobicContact CD1-CD1 3.86Å; L225-F244 HydrophobicContact CD1-CE1 3.46Å; L225-F244 VanDerWaalsContact CD1-CE1 3.46Å; L225-F244 HydrophobicContact CD1-CE2 4.17Å; L225-F244 HydrophobicContact CD1-CG 4.38Å; L225-F244 HydrophobicContact CD1-CZ 3.64Å; L225-F244 HydrophobicContact CG-CE1 3.73Å; L225-F244 HydrophobicContact CG-CZ 3.93Å; L225-V333 HydrophobicContact CD2-CB 3.71Å; L225-V333 HydrophobicContact CD2-CG1 3.93Å; L225-V333 HydrophobicContact CD2-CG2 4.07Å
226	I	98.2	Very high	97.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.5	178.3	-61.6	-170.4	0	0	0	109.9	V224 I317 N318 T332 V333 Y334 L335 L368	V224-I226 HydrophobicContact CG1-CG1 4.27Å; I226-I317 HydrophobicContact CD1-CG2 3.93Å; I226-I317 HydrophobicContact CG1-CG2 4.32Å; I226-N318 WeakPolarHBondContact CG2-O 3.46Å; I226-T332 HydrophobicContact CD1-CG2 3.5Å; I226-T332 VanDerWaalsContact CD1-CG2 3.5Å; I226-T332 HydrophobicContact CG1-CG2 4.09Å; I226-V333 PolarHBondContact N-O 3.37Å; I226-Y334 WeakPolarHBondContact O-CA 3.44Å; I226-L335 PolarHBondContact O-N 2.98Å; I226-L368 HydrophobicContact CG2-CD1 4.04Å; I226-L368 HydrophobicContact CG2-CD2 3.58Å; I226-L368 HydrophobicContact CG2-CG 4.48Å
227	G	97	Very high	97.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.067	C	C	.	.			trans	81.4	179.3	179.7	0	0	0	0	0	114	S229 Q240	G227-S229 VanDerWaalsContact C-N 3.32Å; G227-Q240 PolarHBondContact O-NE2 3.15Å
228	P	97.3	Very high	97.4	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.019	9%	0.091	C	C	.	.	S	Bend	cis	-80.4	-5.5	7.9	34	-38.2	0	0	0	115.2	M239 L335 I337 A365	P228-M239 HydrophobicContact CG-CE 4.2Å; P228-M239 HydrophobicContact CG-SD 3.96Å; P228-L335 WeakPolarHBondContact CA-O 3.17Å; P228-L335 WeakPolarHBondContact CB-O 3.37Å; P228-I337 HydrophobicContact CB-CB 4.17Å; P228-I337 HydrophobicContact CB-CD1 3.64Å; P228-I337 HydrophobicContact CB-CG1 3.62Å; P228-I337 HydrophobicContact CG-CD1 3.61Å; P228-I337 HydrophobicContact CG-CG1 4.08Å; P228-A365 VanDerWaalsContact O-CB 3.3Å; P228-A365 WeakPolarHBondContact O-CB 3.32Å
229	S	97.8	Very high	97.4	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.007	11%	0.105	C	C	.	.	S	Bend	trans	-146.9	-167.9	-178.2	-179.7	0	0	0	0	108.7	G227 T236 Q361	G227-S229 VanDerWaalsContact C-N 3.32Å; S229-T236 WeakPolarHBondContact CB-OG1 3.36Å; S229-T236 WeakPolarHBondContact O-CG2 3.31Å; S229-Q361 WeakPolarHBondContact OG-CA 3.29Å; S229-Q361 WeakPolarHBondContact OG-CB 3.24Å; S229-Q361 PolarHBondContact OG-O 3.24Å; S229-Q361 VanDerWaalsContact OG-O 3.06Å
230	L	97.1	Very high	97.6	Very high	10 Å²	10	18.7 Å²	18.7	5%	0.052	10%	0.1	C	C	.	.			trans	-63.7	133.8	173.9	-163	56.6	0	0	0	110.5	Y233 T236 N318 V360 A364 W509	L230-Y233 HydrophobicContact CB-CD2 3.99Å; L230-Y233 HydrophobicContact CB-CE2 4.06Å; L230-Y233 HydrophobicContact CD2-CD2 4.43Å; L230-Y233 HydrophobicContact CD2-CE2 3.66Å; L230-Y233 HydrophobicContact CG-CD2 4.19Å; L230-Y233 HydrophobicContact CG-CE2 3.86Å; L230-Y233 WeakPolarHBondContact O-CD2 3.48Å; L230-T236 VanDerWaalsContact O-CB 3.3Å; L230-T236 WeakPolarHBondContact O-CB 3.48Å; L230-T236 PolarHBondContact O-OG1 3.48Å; L230-N318 WeakPolarHBondContact CA-OD1 3.28Å; L230-N318 HydrophobicContact CD1-CB 4.13Å; L230-V360 HydrophobicContact CD2-CG1 3.71Å; L230-A364 HydrophobicContact CB-CB 3.7Å; L230-A364 HydrophobicContact CD1-CB 4.25Å; L230-A364 HydrophobicContact CG-CB 4.42Å; L230-W509 HydrophobicContact CD1-CD2 4.39Å; L230-W509 HydrophobicContact CD1-CZ2 4.01Å
231	K	97.1	Very high	97.6	Very high	15 Å²	15	22.5 Å²	22.5	7%	0.065	12%	0.116	C	C	.	.	S	Bend	trans	-67.7	163.3	170	-68.9	-168.5	177.2	-147.3	0	111.9	L225 Y233 T236 D313 C314 I317 N318	L225-K231 WeakPolarHBondContact O-CE 3.47Å; K231-Y233 VanDerWaalsContact C-N 3.33Å; K231-Y233 WeakPolarHBondContact O-CD2 3.37Å; K231-T236 HydrophobicContact CG-CG2 4.01Å; K231-D313 IonicContact NZ-OD1 3.14Å; K231-D313 PolarHBondContact NZ-OD1 2.85Å; K231-C314 WeakPolarHBondContact CD-O 3.41Å; K231-C314 WeakPolarHBondContact CE-O 3.15Å; K231-C314 PolarHBondContact NZ-O 3.22Å; K231-I317 WeakPolarHBondContact CE-O 3.46Å; K231-N318 WeakPolarHBondContact CB-OD1 3.5Å; K231-N318 WeakPolarHBondContact CG-OD1 3.46Å; K231-N318 PolarHBondContact N-OD1 3.08Å
232	G	95.4	Very high	97.6	Very high	38 Å²	38	22.6 Å²	22.6	39%	0.392	12%	0.123	S	C	.	.	S	Bend	trans	78.7	21.5	-172.5	0	0	0	0	0	112.6	D237	G232-D237 WeakPolarHBondContact CA-OD2 3.44Å; G232-D237 PolarHBondContact N-OD1 3.1Å
233	Y	97.5	Very high	97.6	Very high	32 Å²	32	22.7 Å²	22.7	13%	0.125	12%	0.123	C	C	.	.	S	Bend	trans	-138.5	133.9	178.8	-65.8	-81.6	0	0	0	109.6	L230 K231 V235 T236 D237 N357 Q361	L230-Y233 HydrophobicContact CB-CD2 3.99Å; L230-Y233 HydrophobicContact CB-CE2 4.06Å; L230-Y233 HydrophobicContact CD2-CD2 4.43Å; L230-Y233 HydrophobicContact CD2-CE2 3.66Å; L230-Y233 HydrophobicContact CG-CD2 4.19Å; L230-Y233 HydrophobicContact CG-CE2 3.86Å; L230-Y233 WeakPolarHBondContact O-CD2 3.48Å; K231-Y233 VanDerWaalsContact C-N 3.33Å; K231-Y233 WeakPolarHBondContact O-CD2 3.37Å; Y233-V235 PolarHBondContact O-N 2.72Å; Y233-T236 PolarHBondContact O-N 3.38Å; Y233-D237 PolarHBondContact N-OD1 3.34Å; Y233-D237 PolarHBondContact N-OD2 3.46Å; Y233-D237 PolarHBondContact O-N 3.02Å; Y233-N357 HydrophobicContact CD1-CB 4.32Å; Y233-N357 HydrophobicContact CE1-CB 3.49Å; Y233-N357 VanDerWaalsContact CE1-CB 3.49Å; Y233-Q361 HydrophobicContact CD1-CG 4.12Å; Y233-Q361 HydrophobicContact CD2-CG 3.9Å; Y233-Q361 HydrophobicContact CE1-CG 4.45Å; Y233-Q361 HydrophobicContact CE2-CG 4.27Å; Y233-Q361 HydrophobicContact CG-CG 3.81Å
234	E	97.7	Very high	97.6	Very high	44 Å²	44	23.5 Å²	23.5	21%	0.206	13%	0.127	C	C	.	.	H	α-helix	trans	-51.2	-33.2	-168.2	-68.8	166.4	-126.5	0	0	114.8	M238 R350 Q354	E234-M238 WeakPolarHBondContact O-CB 3.27Å; E234-M238 WeakPolarHBondContact O-CG 3.48Å; E234-M238 PolarHBondContact O-N 3.14Å; E234-M238 VanDerWaalsContact O-N 3.12Å; E234-R350 HydrophobicContact CB-CG 4.2Å; E234-R350 IonicContact OE2-CZ 2.77Å; E234-R350 IonicContact OE2-NE 3.22Å; E234-R350 PolarHBondContact OE2-NE 2.76Å; E234-R350 IonicContact OE2-NH2 3.62Å; E234-R350 PolarHBondContact OE2-NH2 2.89Å; E234-Q354 HydrophobicContact CB-CG 4.23Å; E234-Q354 HydrophobicContact CG-CG 4.25Å; E234-Q354 VanDerWaalsContact OE1-CG 3.31Å; E234-Q354 WeakPolarHBondContact OE1-CG 2.9Å; E234-Q354 PolarHBondContact OE1-NE2 2.77Å
235	V	97.3	Very high	97.6	Very high	10 Å²	10	26.7 Å²	26.7	6%	0.061	14%	0.144	C	C	.	.	H	α-helix	trans	-67.5	-49.5	178.6	-178.3	0	0	0	0	111.2	Y233 M239 L343 L346 I347 R350	Y233-V235 PolarHBondContact O-N 2.72Å; V235-M239 HydrophobicContact CG1-SD 4.14Å; V235-M239 WeakPolarHBondContact O-CB 3.48Å; V235-M239 WeakPolarHBondContact O-CG 3.28Å; V235-M239 PolarHBondContact O-N 2.98Å; V235-L343 HydrophobicContact CG1-CD1 4.06Å; V235-L346 HydrophobicContact CG1-CB 3.98Å; V235-L346 HydrophobicContact CG1-CD1 4.39Å; V235-L346 HydrophobicContact CG2-CB 4.3Å; V235-I347 HydrophobicContact CG2-CG1 4.04Å; V235-R350 HydrophobicContact CG2-CG 3.72Å
236	T	97.5	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.9	-51.1	179	-48.6	0	0	0	0	110.3	S229 L230 K231 Y233 M238 M239 Q240	S229-T236 WeakPolarHBondContact CB-OG1 3.36Å; S229-T236 WeakPolarHBondContact O-CG2 3.31Å; L230-T236 VanDerWaalsContact O-CB 3.3Å; L230-T236 WeakPolarHBondContact O-CB 3.48Å; L230-T236 PolarHBondContact O-OG1 3.48Å; K231-T236 HydrophobicContact CG-CG2 4.01Å; Y233-T236 PolarHBondContact O-N 3.38Å; T236-M238 PolarHBondContact O-N 3.18Å; T236-M239 PolarHBondContact O-N 2.68Å; T236-Q240 PolarHBondContact O-N 2.68Å
237	D	97.5	Very high	97.6	Very high	41 Å²	41	28.1 Å²	28.1	22%	0.219	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-43.3	-171.2	-53.8	-8.5	0	0	0	111.1	G232 Y233 K241 Y499	G232-D237 WeakPolarHBondContact CA-OD2 3.44Å; G232-D237 PolarHBondContact N-OD1 3.1Å; Y233-D237 PolarHBondContact N-OD1 3.34Å; Y233-D237 PolarHBondContact N-OD2 3.46Å; Y233-D237 PolarHBondContact O-N 3.02Å; D237-K241 WeakPolarHBondContact O-CB 3.29Å; D237-K241 PolarHBondContact O-N 3.13Å; D237-Y499 PolarHBondContact OD2-OH 2.89Å
238	M	97.5	Very high	97.6	Very high	103 Å²	103	34.1 Å²	34.1	51%	0.507	18%	0.176	S	C	.	.	H	α-helix	trans	-69.5	-35.7	178.2	-68.5	-178.7	66.5	0	0	112.8	E234 T236 A242 R350	E234-M238 WeakPolarHBondContact O-CB 3.27Å; E234-M238 WeakPolarHBondContact O-CG 3.48Å; E234-M238 PolarHBondContact O-N 3.14Å; E234-M238 VanDerWaalsContact O-N 3.12Å; T236-M238 PolarHBondContact O-N 3.18Å; M238-A242 PolarHBondContact O-N 3.17Å; M238-A242 VanDerWaalsContact O-N 3.14Å; M238-R350 VanDerWaalsContact SD-CZ 3.5Å; M238-R350 PolarHBondContact SD-NH1 2.71Å
239	M	97.6	Very high	97.6	Very high	61 Å²	61	42.1 Å²	42.1	30%	0.3	21%	0.206	S	C	.	.	H	α-helix	trans	-70	-40.5	177.5	-72	-179.9	68.6	0	0	111.6	P228 V235 T236 A242 L335 I337	P228-M239 HydrophobicContact CG-CE 4.2Å; P228-M239 HydrophobicContact CG-SD 3.96Å; V235-M239 HydrophobicContact CG1-SD 4.14Å; V235-M239 WeakPolarHBondContact O-CB 3.48Å; V235-M239 WeakPolarHBondContact O-CG 3.28Å; V235-M239 PolarHBondContact O-N 2.98Å; T236-M239 PolarHBondContact O-N 2.68Å; M239-A242 PolarHBondContact O-N 3.33Å; M239-L335 HydrophobicContact CB-CD2 3.9Å; M239-L335 HydrophobicContact CE-CD2 4.14Å; M239-L335 HydrophobicContact CE-CG 4.37Å; M239-I337 HydrophobicContact CE-CD1 4.09Å; M239-I337 HydrophobicContact CE-CG1 4.36Å; M239-I337 HydrophobicContact SD-CD1 4.15Å
240	Q	98.1	Very high	97.6	Very high	5 Å²	5	46 Å²	46	2%	0.023	22%	0.22	C	C	.	.	H	α-helix	trans	-68.4	-38.8	173.4	-66.8	-159.8	0.2	0	0	112.2	L225 G227 T236 A242 L243 F244	L225-Q240 VanDerWaalsContact C-NE2 3.34Å; L225-Q240 HydrophobicContact CB-CG 4.21Å; L225-Q240 HydrophobicContact CD1-CB 4.16Å; L225-Q240 HydrophobicContact CD1-CG 4.38Å; L225-Q240 PolarHBondContact O-NE2 3.23Å; L225-Q240 PolarHBondContact O-OE1 3.22Å; G227-Q240 PolarHBondContact O-NE2 3.15Å; T236-Q240 PolarHBondContact O-N 2.68Å; Q240-A242 VanDerWaalsContact C-N 3.29Å; Q240-A242 PolarHBondContact O-N 2.82Å; Q240-L243 PolarHBondContact O-N 2.89Å; Q240-L243 VanDerWaalsContact O-N 3.1Å; Q240-F244 HydrophobicContact CB-CE2 4.16Å; Q240-F244 WeakPolarHBondContact O-CD2 3.1Å; Q240-F244 PolarHBondContact O-N 2.82Å
241	K	97.7	Very high	97.6	Very high	81 Å²	81	45.6 Å²	45.6	35%	0.352	22%	0.218	S	C	.	.	H	α-helix	trans	-58.1	-41	174.8	-162.4	-163.4	-175	-58.9	0	112	D237 L243 F244 D245	D237-K241 WeakPolarHBondContact O-CB 3.29Å; D237-K241 PolarHBondContact O-N 3.13Å; K241-L243 VanDerWaalsContact C-N 3.27Å; K241-L243 PolarHBondContact O-N 2.74Å; K241-F244 PolarHBondContact O-N 3.04Å; K241-D245 IonicContact NZ-OD1 3.84Å; K241-D245 PolarHBondContact NZ-OD1 3.06Å; K241-D245 IonicContact NZ-OD2 3.76Å; K241-D245 PolarHBondContact NZ-OD2 3.13Å; K241-D245 WeakPolarHBondContact O-CB 3.44Å; K241-D245 PolarHBondContact O-N 3.14Å
242	A	98.2	Very high	97.5	Very high	29 Å²	29	52.4 Å²	52.4	24%	0.24	25%	0.25	C	S	.	.	H	α-helix	trans	-60	-36	177.4	0	0	0	0	0	112.9	M238 M239 Q240 F246 L385	M238-A242 PolarHBondContact O-N 3.17Å; M238-A242 VanDerWaalsContact O-N 3.14Å; M239-A242 PolarHBondContact O-N 3.33Å; Q240-A242 VanDerWaalsContact C-N 3.29Å; Q240-A242 PolarHBondContact O-N 2.82Å; A242-F246 PolarHBondContact O-N 3.16Å; A242-L385 HydrophobicContact CB-CD1 3.94Å; A242-L385 HydrophobicContact CB-CD2 3.95Å
243	L	98.3	Very high	97.5	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-71.8	-42.8	173.3	-65.1	176.3	0	0	0	112	L225 Q240 K241 D245 F246 L247 L335 L380 L385	L225-L243 HydrophobicContact CD1-CB 3.84Å; L225-L243 HydrophobicContact CD1-CD1 4.07Å; Q240-L243 PolarHBondContact O-N 2.89Å; Q240-L243 VanDerWaalsContact O-N 3.1Å; K241-L243 VanDerWaalsContact C-N 3.27Å; K241-L243 PolarHBondContact O-N 2.74Å; L243-D245 PolarHBondContact O-N 3.39Å; L243-F246 WeakPolarHBondContact O-CB 3.46Å; L243-F246 PolarHBondContact O-N 3.47Å; L243-L247 WeakPolarHBondContact O-CG 3.07Å; L243-L247 PolarHBondContact O-N 3.28Å; L243-L335 HydrophobicContact CD1-CD1 4.47Å; L243-L335 HydrophobicContact CD1-CD2 3.92Å; L243-L380 HydrophobicContact CD1-CD1 4.03Å; L243-L380 HydrophobicContact CD2-CD1 4.46Å; L243-L385 HydrophobicContact CD2-CD1 4.1Å
244	F	98	Very high	97.5	Very high	17 Å²	17	55.2 Å²	55.2	8%	0.075	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-42	174.6	-64.1	-48	0	0	0	112.3	L225 Q240 K241 F246 L247 K248 I257 V311 D313	L225-F244 HydrophobicContact CB-CZ 4.36Å; L225-F244 HydrophobicContact CD1-CD1 3.86Å; L225-F244 HydrophobicContact CD1-CE1 3.46Å; L225-F244 VanDerWaalsContact CD1-CE1 3.46Å; L225-F244 HydrophobicContact CD1-CE2 4.17Å; L225-F244 HydrophobicContact CD1-CG 4.38Å; L225-F244 HydrophobicContact CD1-CZ 3.64Å; L225-F244 HydrophobicContact CG-CE1 3.73Å; L225-F244 HydrophobicContact CG-CZ 3.93Å; Q240-F244 HydrophobicContact CB-CE2 4.16Å; Q240-F244 WeakPolarHBondContact O-CD2 3.1Å; Q240-F244 PolarHBondContact O-N 2.82Å; K241-F244 PolarHBondContact O-N 3.04Å; F244-F246 PolarHBondContact O-N 3.13Å; F244-L247 PolarHBondContact O-N 2.58Å; F244-K248 WeakPolarHBondContact O-CB 3.41Å; F244-K248 PolarHBondContact O-N 3.13Å; F244-I257 HydrophobicContact CD1-CG2 4.39Å; F244-V311 HydrophobicContact CD1-CG1 3.94Å; F244-V311 HydrophobicContact CE1-CG1 3.62Å; F244-D313 HydrophobicContact CE2-CB 3.81Å; F244-D313 WeakPolarHBondContact CE2-OD1 3.37Å; F244-D313 HydrophobicContact CZ-CB 3.77Å
245	D	97.9	Very high	97.5	Very high	67 Å²	67	54.2 Å²	54.2	36%	0.358	27%	0.266	S	S	.	.	H	α-helix	trans	-66.4	-23.9	176.6	-69.9	-12.8	0	0	0	112.6	K241 L243 R249	K241-D245 IonicContact NZ-OD1 3.84Å; K241-D245 PolarHBondContact NZ-OD1 3.06Å; K241-D245 IonicContact NZ-OD2 3.76Å; K241-D245 PolarHBondContact NZ-OD2 3.13Å; K241-D245 WeakPolarHBondContact O-CB 3.44Å; K241-D245 PolarHBondContact O-N 3.14Å; L243-D245 PolarHBondContact O-N 3.39Å; D245-R249 PolarHBondContact O-NE 2.9Å; D245-R249 PolarHBondContact O-NH2 2.83Å
246	F	98.1	Very high	97.5	Very high	31 Å²	31	55.6 Å²	55.6	14%	0.136	27%	0.272	C	S	.	.	H	α-helix	trans	-77	-54.8	168	166.6	-102.1	0	0	0	111.3	A242 L243 F244 K248 R249 R250 C389 A393	A242-F246 PolarHBondContact O-N 3.16Å; L243-F246 WeakPolarHBondContact O-CB 3.46Å; L243-F246 PolarHBondContact O-N 3.47Å; F244-F246 PolarHBondContact O-N 3.13Å; F246-K248 VanDerWaalsContact C-N 3.3Å; F246-K248 PolarHBondContact O-N 3.46Å; F246-R249 PolarHBondContact O-N 3.3Å; F246-R250 HydrophobicContact CD1-CB 4.45Å; F246-R250 HydrophobicContact CD2-CB 4.29Å; F246-R250 HydrophobicContact CE1-CB 4.05Å; F246-R250 HydrophobicContact CE1-CG 4.03Å; F246-R250 HydrophobicContact CE2-CB 3.9Å; F246-R250 HydrophobicContact CE2-CG 4.04Å; F246-R250 HydrophobicContact CZ-CB 3.78Å; F246-R250 HydrophobicContact CZ-CG 3.56Å; F246-R250 WeakPolarHBondContact O-CB 3.4Å; F246-R250 PolarHBondContact O-N 2.79Å; F246-C389 HydrophobicContact CD1-CB 3.66Å; F246-C389 HydrophobicContact CD2-CB 3.79Å; F246-C389 HydrophobicContact CE1-CB 3.61Å; F246-C389 WeakPolarHBondContact CE1-O 3.39Å; F246-C389 HydrophobicContact CE2-CB 3.73Å; F246-C389 HydrophobicContact CG-CB 3.73Å; F246-C389 WeakPolarHBondContact CG-SG 3.37Å; F246-C389 HydrophobicContact CZ-CB 3.63Å; F246-C389 WeakPolarHBondContact CZ-O 3.4Å; F246-A393 HydrophobicContact CE1-CB 4.02Å; F246-A393 HydrophobicContact CZ-CB 3.9Å
247	L	98.2	Very high	97.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-55.8	-42.3	-177.1	-72	176.7	0	0	0	112.5	L243 F244 R249 R250 F251 I255 I257 V311 L392 L396	L243-L247 WeakPolarHBondContact O-CG 3.07Å; L243-L247 PolarHBondContact O-N 3.28Å; F244-L247 PolarHBondContact O-N 2.58Å; L247-R249 PolarHBondContact O-N 3.49Å; L247-R250 PolarHBondContact O-N 2.91Å; L247-F251 HydrophobicContact CD2-CD2 3.92Å; L247-F251 HydrophobicContact CD2-CE2 3.83Å; L247-F251 PolarHBondContact O-N 2.85Å; L247-I255 HydrophobicContact CB-CD1 3.81Å; L247-I257 HydrophobicContact CB-CD1 4.41Å; L247-V311 HydrophobicContact CD1-CG1 4.46Å; L247-L392 HydrophobicContact CD1-CD2 4.11Å; L247-L392 HydrophobicContact CD2-CD2 4.08Å; L247-L392 HydrophobicContact CD2-CG 4.26Å; L247-L392 HydrophobicContact CG-CD2 4.28Å; L247-L396 HydrophobicContact CD2-CD1 3.63Å
248	K	97.3	Very high	97.5	Very high	126 Å²	126	57.8 Å²	57.8	55%	0.548	29%	0.285	S	S	.	.	H	α-helix	trans	-54.4	-38.6	178.2	-170.3	179.3	177.5	-176.8	0	112.5	F244 F246 I257	F244-K248 WeakPolarHBondContact O-CB 3.41Å; F244-K248 PolarHBondContact O-N 3.13Å; F246-K248 VanDerWaalsContact C-N 3.3Å; F246-K248 PolarHBondContact O-N 3.46Å; K248-I257 HydrophobicContact CB-CD1 3.81Å; K248-I257 HydrophobicContact CG-CD1 4.47Å
249	R	97.5	Very high	97.5	Very high	171 Å²	171	58.6 Å²	58.6	65%	0.645	28%	0.282	S	S	*	.	H	α-helix	trans	-87.6	-42	-180	-67.6	176.5	-68.5	127.9	2.3	112.2	D245 F246 L247 F251	D245-R249 PolarHBondContact O-NE 2.9Å; D245-R249 PolarHBondContact O-NH2 2.83Å; F246-R249 PolarHBondContact O-N 3.3Å; L247-R249 PolarHBondContact O-N 3.49Å; R249-F251 VanDerWaalsContact C-N 3.26Å; R249-F251 PolarHBondContact O-N 2.84Å
250	R	97.8	Very high	97.4	Very high	82 Å²	82	55.7 Å²	55.7	31%	0.309	27%	0.267	S	S	.	.	H	α-helix	trans	-68.5	-23.7	-175.8	-180	59.7	-177.2	72.6	3.8	113.5	F246 L247 A393 E397	F246-R250 HydrophobicContact CD1-CB 4.45Å; F246-R250 HydrophobicContact CD2-CB 4.29Å; F246-R250 HydrophobicContact CE1-CB 4.05Å; F246-R250 HydrophobicContact CE1-CG 4.03Å; F246-R250 HydrophobicContact CE2-CB 3.9Å; F246-R250 HydrophobicContact CE2-CG 4.04Å; F246-R250 HydrophobicContact CZ-CB 3.78Å; F246-R250 HydrophobicContact CZ-CG 3.56Å; F246-R250 WeakPolarHBondContact O-CB 3.4Å; F246-R250 PolarHBondContact O-N 2.79Å; L247-R250 PolarHBondContact O-N 2.91Å; R250-A393 HydrophobicContact CG-CB 4.09Å; R250-E397 IonicContact CZ-OE1 3.12Å; R250-E397 IonicContact NH1-OE1 3.99Å; R250-E397 PolarHBondContact NH1-OE1 3.32Å; R250-E397 IonicContact NH2-OE1 2.65Å; R250-E397 PolarHBondContact NH2-OE1 3.32Å
251	F	97.5	Very high	97	Very high	1 Å²	1	58.8 Å²	58.8	0%	0.004	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	25.5	-179.6	-64.8	-87.2	0	0	0	113	L247 R249 G253 R254 I255 L309 A393 L396 E397	L247-F251 HydrophobicContact CD2-CD2 3.92Å; L247-F251 HydrophobicContact CD2-CE2 3.83Å; L247-F251 PolarHBondContact O-N 2.85Å; R249-F251 VanDerWaalsContact C-N 3.26Å; R249-F251 PolarHBondContact O-N 2.84Å; F251-G253 PolarHBondContact O-N 3.28Å; F251-R254 CarbonylContact O-C 3.58Å; F251-R254 WeakPolarHBondContact O-CA 3.45Å; F251-R254 PolarHBondContact O-N 2.9Å; F251-I255 HydrophobicContact CB-CB 3.81Å; F251-I255 HydrophobicContact CB-CD1 4.06Å; F251-I255 HydrophobicContact CB-CG1 4.49Å; F251-I255 HydrophobicContact CB-CG2 4Å; F251-I255 WeakPolarHBondContact O-CG2 3.38Å; F251-I255 PolarHBondContact O-N 2.88Å; F251-L309 HydrophobicContact CB-CD1 4.21Å; F251-L309 HydrophobicContact CD1-CD1 3.44Å; F251-L309 VanDerWaalsContact CD1-CD1 3.44Å; F251-L309 HydrophobicContact CD2-CD1 4.47Å; F251-L309 HydrophobicContact CE1-CD1 3.84Å; F251-L309 HydrophobicContact CG-CD1 3.8Å; F251-A393 HydrophobicContact CE2-CB 4.17Å; F251-A393 HydrophobicContact CZ-CB 4.16Å; F251-L396 HydrophobicContact CE1-CB 4.15Å; F251-L396 HydrophobicContact CE2-CB 4.26Å; F251-L396 HydrophobicContact CE2-CD1 4.3Å; F251-L396 HydrophobicContact CZ-CB 3.66Å; F251-E397 HydrophobicContact CE1-CG 3.78Å; F251-E397 HydrophobicContact CZ-CG 3.99Å
252	E	95.9	Very high	96.8	Very high	158 Å²	158	55.1 Å²	55.1	74%	0.738	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	135.9	178.6	-171.7	167.7	-168.1	0	0	112	R254	E252-R254 PolarHBondContact O-N 2.79Å
253	G	95.6	Very high	96.5	Very high	67 Å²	67	55 Å²	55	69%	0.691	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	-5.2	-173.5	0	0	0	0	0	116.1	F251	F251-G253 PolarHBondContact O-N 3.28Å
254	R	96.9	Very high	96.3	Very high	62 Å²	62	54.9 Å²	54.9	23%	0.234	27%	0.267	C	S	.	.	S	Bend	trans	-122.7	3.5	176.4	-65.6	-169.7	-68.4	148.8	-3.9	114.1	F251 E252 Q308 L309 E397 W400	F251-R254 CarbonylContact O-C 3.58Å; F251-R254 WeakPolarHBondContact O-CA 3.45Å; F251-R254 PolarHBondContact O-N 2.9Å; E252-R254 PolarHBondContact O-N 2.79Å; R254-Q308 WeakPolarHBondContact O-CB 3.45Å; R254-L309 PolarHBondContact O-N 2.59Å; R254-E397 IonicContact CZ-OE1 3.8Å; R254-E397 IonicContact CZ-OE2 3.03Å; R254-E397 IonicContact NH1-OE1 3.68Å; R254-E397 IonicContact NH1-OE2 3.51Å; R254-E397 PolarHBondContact NH1-OE2 2.96Å; R254-E397 VanDerWaalsContact NH2-CD 3.33Å; R254-E397 IonicContact NH2-OE1 2.69Å; R254-E397 PolarHBondContact NH2-OE1 3.04Å; R254-E397 IonicContact NH2-OE2 2.67Å; R254-E397 PolarHBondContact NH2-OE2 2.65Å; R254-E397 VanDerWaalsContact NH2-OE2 3.14Å; R254-W400 HydrophobicContact CB-CH2 3.88Å; R254-W400 HydrophobicContact CB-CZ2 4.44Å; R254-W400 HydrophobicContact CB-CZ3 3.97Å; R254-W400 HydrophobicContact CG-CH2 3.92Å; R254-W400 HydrophobicContact CG-CZ2 4.04Å; R254-W400 HydrophobicContact CG-CZ3 4.45Å
255	I	97.8	Very high	96.1	Very high	24 Å²	24	55 Å²	55	12%	0.123	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.9	-170.7	-164.6	170.7	0	0	0	112.7	L247 F251 I257 L309 V311	L247-I255 HydrophobicContact CB-CD1 3.81Å; F251-I255 HydrophobicContact CB-CB 3.81Å; F251-I255 HydrophobicContact CB-CD1 4.06Å; F251-I255 HydrophobicContact CB-CG1 4.49Å; F251-I255 HydrophobicContact CB-CG2 4Å; F251-I255 WeakPolarHBondContact O-CG2 3.38Å; F251-I255 PolarHBondContact O-N 2.88Å; I255-I257 HydrophobicContact CD1-CD1 4.16Å; I255-I257 HydrophobicContact CD1-CG1 3.98Å; I255-I257 HydrophobicContact CG1-CG1 4Å; I255-L309 CarbonylContact C-O 3.53Å; I255-L309 WeakPolarHBondContact CA-O 3.32Å; I255-L309 HydrophobicContact CB-CB 4.37Å; I255-L309 HydrophobicContact CG1-CB 4.08Å; I255-V311 HydrophobicContact CD1-CG2 3.77Å; I255-V311 HydrophobicContact CG1-CG2 3.94Å
256	I	97.8	Very high	95.7	Very high	39 Å²	39	54.5 Å²	54.5	20%	0.2	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	109.2	170.5	-50.9	179.1	0	0	0	107.2	L303 T306 Q308 L309 V310 V311	I256-L303 HydrophobicContact CD1-CB 4.41Å; I256-L303 HydrophobicContact CD1-CD2 4.13Å; I256-L303 HydrophobicContact CG2-CD1 4.18Å; I256-L303 HydrophobicContact CG2-CD2 4.22Å; I256-T306 HydrophobicContact CD1-CG2 4.41Å; I256-Q308 HydrophobicContact CD1-CB 4.24Å; I256-Q308 HydrophobicContact CG1-CB 4.13Å; I256-L309 PolarHBondContact N-O 3.43Å; I256-V310 WeakPolarHBondContact O-CA 3.46Å; I256-V311 PolarHBondContact O-N 3.22Å
257	I	97.4	Very high	95.1	Very high	58 Å²	58	53.1 Å²	53.1	30%	0.297	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.7	171.9	-48.5	-174.4	0	0	0	107.9	F244 L247 K248 I255 V311	F244-I257 HydrophobicContact CD1-CG2 4.39Å; L247-I257 HydrophobicContact CB-CD1 4.41Å; K248-I257 HydrophobicContact CB-CD1 3.81Å; K248-I257 HydrophobicContact CG-CD1 4.47Å; I255-I257 HydrophobicContact CD1-CD1 4.16Å; I255-I257 HydrophobicContact CD1-CG1 3.98Å; I255-I257 HydrophobicContact CG1-CG1 4Å; I257-V311 WeakPolarHBondContact CA-O 3.45Å; I257-V311 HydrophobicContact CG1-CB 4.21Å; I257-V311 HydrophobicContact CG2-CB 4.37Å; I257-V311 HydrophobicContact CG2-CG1 4.46Å
258	T	97.4	Very high	94.3	Very high	29 Å²	29	57.4 Å²	57.4	18%	0.178	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	144.5	-179	-167.5	0	0	0	0	111.4	R299 L303 V311 L312 D313	T258-R299 PolarHBondContact OG1-NH1 3.06Å; T258-L303 HydrophobicContact CG2-CD1 3.89Å; T258-V311 PolarHBondContact N-O 2.86Å; T258-L312 HydrophobicContact CG2-CD2 3.58Å; T258-L312 WeakPolarHBondContact O-CA 3.47Å; T258-D313 PolarHBondContact O-N 2.9Å
259	R	96.9	Very high	93.3	Very high	119 Å²	119	53.4 Å²	53.4	45%	0.449	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	146.3	177.1	-164.3	167.4	179.3	-101.4	-4.8	110	R299 D313 D315 H502	R259-R299 PolarHBondContact O-NH2 2.96Å; R259-R299 VanDerWaalsContact O-NH2 3.13Å; R259-D313 WeakPolarHBondContact CA-O 3.32Å; R259-D313 HydrophobicContact CG-CB 4.45Å; R259-D313 WeakPolarHBondContact CG-O 3.36Å; R259-D315 IonicContact CZ-OD1 3.19Å; R259-D315 IonicContact CZ-OD2 2.75Å; R259-D315 IonicContact NE-OD1 2.73Å; R259-D315 IonicContact NH1-OD2 2.67Å; R259-D315 IonicContact NH2-OD1 2.78Å; R259-D315 PolarHBondContact NH2-OD1 3.41Å; R259-D315 IonicContact NH2-OD2 3.52Å; R259-D315 PolarHBondContact NH2-OD2 3.3Å; R259-H502 PolarHBondContact NH2-NE2 3.42Å; R259-H502 VanDerWaalsContact NH2-NE2 3.13Å
260	V	95.8	Very high	91.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	108.3	180	178.4	0	0	0	0	108.5	I264 L312 D313 C314 D315	V260-I264 HydrophobicContact CG1-CD1 4.3Å; V260-I264 HydrophobicContact CG1-CG1 4.26Å; V260-I264 HydrophobicContact CG1-CG2 3.75Å; V260-L312 HydrophobicContact CG2-CB 4.13Å; V260-L312 HydrophobicContact CG2-CD2 4.09Å; V260-L312 HydrophobicContact CG2-CG 4.47Å; V260-D313 PolarHBondContact N-O 2.9Å; V260-C314 HydrophobicContact CB-CB 4.37Å; V260-C314 WeakPolarHBondContact O-CA 3.27Å; V260-D315 PolarHBondContact O-N 3.46Å
261	T	90.3	Very high	89.8	Confident	71 Å²	71	47.1 Å²	47.1	44%	0.436	25%	0.251	S	S	.	.			trans	-90.2	-31.1	-179.5	48	0	0	0	0	113
262	A	92	Very high	88	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.033	26%	0.259	C	S	.	.	S	Bend	trans	-70.4	145.6	178.2	0	0	0	0	0	111.1	I264 E292 V293 E296	A262-I264 VanDerWaalsContact C-N 3.29Å; A262-I264 PolarHBondContact O-N 3.2Å; A262-E292 HydrophobicContact CB-CG 3.89Å; A262-V293 HydrophobicContact CB-CG2 3.95Å; A262-E296 HydrophobicContact CB-CG 3.84Å
263	D	91.8	Very high	86.5	Confident	27 Å²	27	46.6 Å²	46.6	14%	0.144	25%	0.253	C	S	.	.			trans	-77.8	79	178.7	-168.5	8	0	0	0	111.8	S265 L266 V293 T316	D263-S265 PolarHBondContact O-N 3.48Å; D263-S265 WeakPolarHBondContact OD1-CB 3.47Å; D263-S265 PolarHBondContact OD1-N 3.32Å; D263-S265 PolarHBondContact OD1-OG 3.18Å; D263-S265 PolarHBondContact OD2-OG 2.89Å; D263-L266 HydrophobicContact CB-CD1 4.18Å; D263-L266 HydrophobicContact CB-CG 4.3Å; D263-L266 WeakPolarHBondContact O-CB 3.48Å; D263-L266 WeakPolarHBondContact O-CG 3.5Å; D263-L266 PolarHBondContact O-N 3.04Å; D263-V293 WeakPolarHBondContact O-CG2 3.35Å; D263-T316 HydrophobicContact CB-CG2 4.01Å; D263-T316 PolarHBondContact OD1-OG1 3.18Å
264	I	94.6	Very high	84.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-58.7	-9.8	178.3	55.6	162.5	0	0	0	114.1	V260 A262 L266 A267 E296 I297 L312 I317 L323 T326 L328	V260-I264 HydrophobicContact CG1-CD1 4.3Å; V260-I264 HydrophobicContact CG1-CG1 4.26Å; V260-I264 HydrophobicContact CG1-CG2 3.75Å; A262-I264 VanDerWaalsContact C-N 3.29Å; A262-I264 PolarHBondContact O-N 3.2Å; I264-L266 PolarHBondContact O-N 3.18Å; I264-A267 VanDerWaalsContact O-CB 3.26Å; I264-A267 WeakPolarHBondContact O-CB 3.46Å; I264-A267 PolarHBondContact O-N 3.44Å; I264-A267 VanDerWaalsContact O-N 3.12Å; I264-E296 HydrophobicContact CG2-CB 4.14Å; I264-I297 HydrophobicContact CB-CD1 4.4Å; I264-I297 HydrophobicContact CG2-CD1 4.35Å; I264-L312 HydrophobicContact CD1-CD1 4.45Å; I264-I317 HydrophobicContact CG1-CD1 4.25Å; I264-I317 HydrophobicContact CG1-CG1 4.32Å; I264-L323 HydrophobicContact CD1-CD2 3.83Å; I264-L323 HydrophobicContact CG1-CD2 3.94Å; I264-T326 WeakPolarHBondContact O-CG2 3.46Å; I264-L328 HydrophobicContact CD1-CD1 3.82Å
265	S	93	Very high	82.7	Confident	20 Å²	20	47.8 Å²	47.8	14%	0.14	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-64.9	-16.8	168.9	78.3	0	0	0	0	113.6	D263 A267 Q322	D263-S265 PolarHBondContact O-N 3.48Å; D263-S265 WeakPolarHBondContact OD1-CB 3.47Å; D263-S265 PolarHBondContact OD1-N 3.32Å; D263-S265 PolarHBondContact OD1-OG 3.18Å; D263-S265 PolarHBondContact OD2-OG 2.89Å; S265-A267 VanDerWaalsContact C-N 3.34Å; S265-Q322 WeakPolarHBondContact CA-O 3.4Å; S265-Q322 WeakPolarHBondContact CB-O 3.38Å
266	L	90.3	Very high	80.8	Confident	56 Å²	56	51.5 Å²	51.5	29%	0.293	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-77.2	-16.5	173.9	-58.7	176.3	0	0	0	113.2	D263 I264 K268 Q289 V293	D263-L266 HydrophobicContact CB-CD1 4.18Å; D263-L266 HydrophobicContact CB-CG 4.3Å; D263-L266 WeakPolarHBondContact O-CB 3.48Å; D263-L266 WeakPolarHBondContact O-CG 3.5Å; D263-L266 PolarHBondContact O-N 3.04Å; I264-L266 PolarHBondContact O-N 3.18Å; L266-K268 PolarHBondContact O-N 3.16Å; L266-Q289 VanDerWaalsContact CD1-CD 3.43Å; L266-Q289 HydrophobicContact CD1-CG 3.77Å; L266-V293 HydrophobicContact CB-CG1 4.43Å
267	A	86.2	Confident	78.7	Confident	2 Å²	2	56.5 Å²	56.5	2%	0.017	29%	0.294	C	S	.	.			trans	-73.4	51.9	-177.2	0	0	0	0	0	114.2	I264 S265 L272 V293 I297 T326	I264-A267 VanDerWaalsContact O-CB 3.26Å; I264-A267 WeakPolarHBondContact O-CB 3.46Å; I264-A267 PolarHBondContact O-N 3.44Å; I264-A267 VanDerWaalsContact O-N 3.12Å; S265-A267 VanDerWaalsContact C-N 3.34Å; A267-L272 HydrophobicContact CB-CD1 4.42Å; A267-L272 HydrophobicContact CB-CD2 4.37Å; A267-V293 HydrophobicContact CB-CG1 3.72Å; A267-I297 HydrophobicContact CB-CD1 3.56Å; A267-I297 HydrophobicContact CB-CG1 3.58Å; A267-T326 HydrophobicContact CB-CG2 4.19Å; A267-T326 WeakPolarHBondContact O-CA 3.27Å
268	K	80.9	Confident	76.7	Confident	90 Å²	90	56.5 Å²	56.5	39%	0.391	29%	0.29	S	S	.	.			trans	-68.3	131.8	-174.9	-64.9	163.3	-171.9	163.1	0	110.6	L266 S270 L271 L272 K325	L266-K268 PolarHBondContact O-N 3.16Å; K268-S270 PolarHBondContact O-N 2.79Å; K268-L271 HydrophobicContact CB-CD1 4.2Å; K268-L271 HydrophobicContact CB-CG 4.26Å; K268-L271 HydrophobicContact CD-CD1 4.28Å; K268-L271 WeakPolarHBondContact O-CA 3.5Å; K268-L271 WeakPolarHBondContact O-CB 3.39Å; K268-L271 PolarHBondContact O-N 2.97Å; K268-L272 PolarHBondContact O-N 3.09Å; K268-L272 VanDerWaalsContact O-N 3.12Å; K268-K325 CarbonylContact C-O 3.48Å; K268-K325 VanDerWaalsContact CA-O 3.28Å; K268-K325 WeakPolarHBondContact CA-O 3.44Å; K268-K325 HydrophobicContact CG-CB 4.37Å
269	R	76.7	Confident	74.6	Confident	42 Å²	42	58.2 Å²	58.2	16%	0.158	31%	0.307	C	S	.	.	H	α-helix	trans	-47.6	-41.3	-175.6	-63.7	-164.7	-71.4	-79.7	6.2	113.9	D215 L271 L272 N273 S324 K325 T326	D215-R269 VanDerWaalsContact CG-CD 3.43Å; D215-R269 VanDerWaalsContact CG-NE 3.33Å; D215-R269 VanDerWaalsContact OD1-CD 3.29Å; D215-R269 WeakPolarHBondContact OD1-CD 3.35Å; D215-R269 IonicContact OD1-NE 2.71Å; D215-R269 PolarHBondContact OD1-NE 3.29Å; D215-R269 WeakPolarHBondContact OD2-CD 3.48Å; D215-R269 IonicContact OD2-CZ 2.71Å; D215-R269 VanDerWaalsContact OD2-CZ 3.31Å; D215-R269 IonicContact OD2-NE 3.93Å; D215-R269 PolarHBondContact OD2-NE 3.34Å; D215-R269 IonicContact OD2-NH2 1.92Å; D215-R269 PolarHBondContact OD2-NH2 3.05Å; R269-L271 VanDerWaalsContact C-N 3.3Å; R269-L271 PolarHBondContact O-N 3.3Å; R269-L272 PolarHBondContact O-N 2.84Å; R269-N273 PolarHBondContact O-N 2.92Å; R269-N273 PolarHBondContact O-OD1 2.94Å; R269-S324 PolarHBondContact NH1-O 3.35Å; R269-K325 WeakPolarHBondContact CG-O 3.38Å; R269-K325 PolarHBondContact N-O 3.4Å; R269-T326 WeakPolarHBondContact CD-O 3.37Å; R269-T326 PolarHBondContact NH1-O 3.34Å
270	S	62	Low	72.7	Confident	65 Å²	65	59.3 Å²	59.3	46%	0.455	32%	0.321	S	S	.	.	H	α-helix	trans	-72.9	-12.7	178.6	54.4	0	0	0	0	115.9	K268	K268-S270 PolarHBondContact O-N 2.79Å
271	L	59.4	Low	70.9	Confident	55 Å²	55	62.5 Å²	62.5	29%	0.288	34%	0.336	S	S	.	.	H	α-helix	trans	-95.3	-24.8	169.3	-58.9	178.8	0	0	0	111.8	K268 R269 R278	K268-L271 HydrophobicContact CB-CD1 4.2Å; K268-L271 HydrophobicContact CB-CG 4.26Å; K268-L271 HydrophobicContact CD-CD1 4.28Å; K268-L271 WeakPolarHBondContact O-CA 3.5Å; K268-L271 WeakPolarHBondContact O-CB 3.39Å; K268-L271 PolarHBondContact O-N 2.97Å; R269-L271 VanDerWaalsContact C-N 3.3Å; R269-L271 PolarHBondContact O-N 3.3Å; L271-R278 PolarHBondContact O-NE 3.46Å; L271-R278 PolarHBondContact O-NH2 2.97Å
272	L	60.2	Low	69.2	Low	33 Å²	33	66 Å²	66	17%	0.173	35%	0.352	C	S	.	.	H	α-helix	trans	-73.3	-53.4	173.1	-56	-170.7	0	0	0	110.6	A267 K268 R269 N274 I297	A267-L272 HydrophobicContact CB-CD1 4.42Å; A267-L272 HydrophobicContact CB-CD2 4.37Å; K268-L272 PolarHBondContact O-N 3.09Å; K268-L272 VanDerWaalsContact O-N 3.12Å; R269-L272 PolarHBondContact O-N 2.84Å; L272-N274 VanDerWaalsContact C-N 3.28Å; L272-N274 PolarHBondContact O-N 2.7Å; L272-I297 HydrophobicContact CD1-CG2 4.47Å
273	N	62.8	Low	67.9	Low	116 Å²	116	73 Å²	73	62%	0.62	38%	0.382	S	S	*	.	S	Bend	trans	-78.6	-3.3	-169.1	-61	17.6	0	0	0	114.8	R269	R269-N273 PolarHBondContact O-N 2.92Å; R269-N273 PolarHBondContact O-OD1 2.94Å
274	N	56.6	Low	66.8	Low	63 Å²	63	76.1 Å²	76.1	34%	0.337	41%	0.406	S	S	.	.			trans	-146	99.2	176.1	-168.6	-23.2	0	0	0	112	L272 T276 R277	L272-N274 VanDerWaalsContact C-N 3.28Å; L272-N274 PolarHBondContact O-N 2.7Å; N274-T276 VanDerWaalsContact C-N 3.31Å; N274-T276 PolarHBondContact O-N 2.79Å; N274-T276 PolarHBondContact OD1-N 3.36Å; N274-T276 VanDerWaalsContact OD1-N 3.14Å; N274-T276 PolarHBondContact OD1-OG1 3.28Å; N274-R277 PolarHBondContact O-N 3.13Å
275	P	56.9	Low	65.6	Low	91 Å²	91	80.3 Å²	80.3	59%	0.591	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-68.6	-22.6	-177	26.8	-34	0	0	0	113.8	R277 R278	P275-R277 VanDerWaalsContact C-N 3.26Å; P275-R277 PolarHBondContact O-N 2.95Å; P275-R278 VanDerWaalsContact O-CB 3.27Å; P275-R278 WeakPolarHBondContact O-CB 3.17Å; P275-R278 PolarHBondContact O-N 3.19Å
276	T	58	Low	64.7	Low	102 Å²	102	81.7 Å²	81.7	63%	0.626	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-67.7	-28.7	-180	68.2	0	0	0	0	112	N274 R278 A279	N274-T276 VanDerWaalsContact C-N 3.31Å; N274-T276 PolarHBondContact O-N 2.79Å; N274-T276 PolarHBondContact OD1-N 3.36Å; N274-T276 VanDerWaalsContact OD1-N 3.14Å; N274-T276 PolarHBondContact OD1-OG1 3.28Å; T276-R278 PolarHBondContact O-N 2.98Å; T276-A279 WeakPolarHBondContact O-CB 3.43Å; T276-A279 PolarHBondContact O-N 3.39Å
277	R	54.4	Low	63.7	Low	143 Å²	143	85.3 Å²	85.3	54%	0.54	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-68.9	-12.3	170.4	-71	-166.9	-177.1	177.9	6	114	N274 P275	N274-R277 PolarHBondContact O-N 3.13Å; P275-R277 VanDerWaalsContact C-N 3.26Å; P275-R277 PolarHBondContact O-N 2.95Å
278	R	55.5	Low	63.3	Low	58 Å²	58	90.1 Å²	90.1	22%	0.219	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-80.7	-19.3	171.8	-56.7	-176.5	-176.3	-161.6	1.1	113.1	L271 P275 T276 I280	L271-R278 PolarHBondContact O-NE 3.46Å; L271-R278 PolarHBondContact O-NH2 2.97Å; P275-R278 VanDerWaalsContact O-CB 3.27Å; P275-R278 WeakPolarHBondContact O-CB 3.17Å; P275-R278 PolarHBondContact O-N 3.19Å; T276-R278 PolarHBondContact O-N 2.98Å; R278-I280 VanDerWaalsContact C-N 3.31Å; R278-I280 PolarHBondContact O-N 3.11Å
279	A	52	Low	63.3	Low	66 Å²	66	89.7 Å²	89.7	55%	0.545	48%	0.477	S	S	.	.	S	Bend	trans	-66.2	-32.7	-173.4	0	0	0	0	0	113	T276 M281	T276-A279 WeakPolarHBondContact O-CB 3.43Å; T276-A279 PolarHBondContact O-N 3.39Å; A279-M281 PolarHBondContact O-N 2.63Å
280	I	57.9	Low	63.5	Low	142 Å²	142	89.5 Å²	89.5	73%	0.728	48%	0.483	S	S	*	.	S	Bend	trans	-80.2	53.2	-177.5	-38.6	175.9	0	0	0	110.7	R278	R278-I280 VanDerWaalsContact C-N 3.31Å; R278-I280 PolarHBondContact O-N 3.11Å
281	M	57	Low	64.7	Low	67 Å²	67	90.6 Å²	90.6	33%	0.33	48%	0.483	S	S	.	.			trans	-148.5	82.2	-175.7	-151	175.2	-59.5	0	0	111.6	A279 K283 T286	A279-M281 PolarHBondContact O-N 2.63Å; M281-K283 PolarHBondContact O-N 3.13Å; M281-T286 HydrophobicContact CG-CG2 4.41Å; M281-T286 HydrophobicContact SD-CG2 3.47Å; M281-T286 WeakPolarHBondContact SD-CG2 3.49Å
282	D	54.3	Low	66.2	Low	143 Å²	143	92.1 Å²	92.1	77%	0.765	49%	0.488	S	S	*	.			trans	-81	31.1	-166.5	-50.3	-69.1	0	0	0	114.8
283	K	65.5	Low	67.7	Low	153 Å²	153	90.8 Å²	90.8	67%	0.665	48%	0.482	S	S	*	.			trans	-126.7	113.3	176.4	-69.4	-172.3	177.6	-178.9	0	110.6	M281 S285 T286 R287	M281-K283 PolarHBondContact O-N 3.13Å; K283-S285 VanDerWaalsContact C-N 3.26Å; K283-S285 PolarHBondContact O-N 3.04Å; K283-T286 PolarHBondContact O-N 2.91Å; K283-R287 PolarHBondContact O-N 2.67Å
284	S	69.3	Low	69	Low	91 Å²	91	87.2 Å²	87.2	64%	0.636	46%	0.461	S	S	*	.	H	α-helix	trans	-51.8	-42	178.8	51.4	0	0	0	0	112.9	T286 R287 N288	S284-T286 PolarHBondContact O-N 2.77Å; S284-R287 WeakPolarHBondContact O-CB 3.21Å; S284-R287 PolarHBondContact O-N 2.75Å; S284-N288 VanDerWaalsContact O-CG 3.28Å; S284-N288 PolarHBondContact O-N 2.88Å; S284-N288 PolarHBondContact O-OD1 3.26Å
285	S	69.2	Low	70.7	Confident	89 Å²	89	90.2 Å²	90.2	62%	0.622	47%	0.473	S	S	*	.	H	α-helix	trans	-56.4	-47.2	175.1	169.1	0	0	0	0	112.8	K283 N288 Q289	K283-S285 VanDerWaalsContact C-N 3.26Å; K283-S285 PolarHBondContact O-N 3.04Å; S285-N288 PolarHBondContact O-N 3.39Å; S285-Q289 WeakPolarHBondContact O-CB 3.45Å; S285-Q289 PolarHBondContact O-N 2.78Å
286	T	72.8	Confident	72.5	Confident	49 Å²	49	87.3 Å²	87.3	30%	0.301	45%	0.452	S	S	.	.	H	α-helix	trans	-72.9	-32.2	179.8	-39	0	0	0	0	111.7	M281 K283 S284 S290	M281-T286 HydrophobicContact CG-CG2 4.41Å; M281-T286 HydrophobicContact SD-CG2 3.47Å; M281-T286 WeakPolarHBondContact SD-CG2 3.49Å; K283-T286 PolarHBondContact O-N 2.91Å; S284-T286 PolarHBondContact O-N 2.77Å; T286-S290 WeakPolarHBondContact O-CB 3.4Å; T286-S290 PolarHBondContact O-N 3.09Å
287	R	70.9	Confident	74.2	Confident	132 Å²	132	82.7 Å²	82.7	50%	0.498	42%	0.423	S	S	.	.	H	α-helix	trans	-62.1	-48.9	171.1	-168.7	178.2	-63.2	-179.7	1	111.1	K283 S284 S290 L291	K283-R287 PolarHBondContact O-N 2.67Å; S284-R287 WeakPolarHBondContact O-CB 3.21Å; S284-R287 PolarHBondContact O-N 2.75Å; R287-S290 PolarHBondContact O-N 2.73Å; R287-S290 VanDerWaalsContact O-N 3.14Å; R287-S290 PolarHBondContact O-OG 2.96Å; R287-L291 WeakPolarHBondContact O-CG 3.5Å; R287-L291 PolarHBondContact O-N 2.75Å; R287-L291 VanDerWaalsContact O-N 3.1Å
288	N	77	Confident	76.1	Confident	103 Å²	103	80.8 Å²	80.8	55%	0.551	42%	0.42	S	S	*	.	H	α-helix	trans	-60.6	-47.2	177.6	-69.3	7.5	0	0	0	111.4	S284 S285 S290 L291 E292	S284-N288 VanDerWaalsContact O-CG 3.28Å; S284-N288 PolarHBondContact O-N 2.88Å; S284-N288 PolarHBondContact O-OD1 3.26Å; S285-N288 PolarHBondContact O-N 3.39Å; N288-S290 VanDerWaalsContact C-N 3.27Å; N288-S290 PolarHBondContact O-N 2.92Å; N288-L291 WeakPolarHBondContact O-CB 3.4Å; N288-L291 PolarHBondContact O-N 2.8Å; N288-E292 PolarHBondContact O-N 2.86Å
289	Q	81.8	Confident	78	Confident	81 Å²	81	81.6 Å²	81.6	38%	0.379	42%	0.423	S	S	.	.	H	α-helix	trans	-58	-38	174.4	-178	175.3	64.6	0	0	112.3	L266 S285 L291 V293	L266-Q289 VanDerWaalsContact CD1-CD 3.43Å; L266-Q289 HydrophobicContact CD1-CG 3.77Å; S285-Q289 WeakPolarHBondContact O-CB 3.45Å; S285-Q289 PolarHBondContact O-N 2.78Å; Q289-L291 VanDerWaalsContact C-N 3.29Å; Q289-L291 PolarHBondContact O-N 3.44Å; Q289-V293 WeakPolarHBondContact O-CB 3.23Å; Q289-V293 VanDerWaalsContact O-CG2 3.27Å; Q289-V293 WeakPolarHBondContact O-CG2 3.42Å; Q289-V293 PolarHBondContact O-N 2.83Å
290	S	80.9	Confident	80.2	Confident	38 Å²	38	78.5 Å²	78.5	27%	0.266	40%	0.398	S	S	.	.	H	α-helix	trans	-69.9	-24	176.4	78.8	0	0	0	0	113.9	T286 R287 N288 Q294	T286-S290 WeakPolarHBondContact O-CB 3.4Å; T286-S290 PolarHBondContact O-N 3.09Å; R287-S290 PolarHBondContact O-N 2.73Å; R287-S290 VanDerWaalsContact O-N 3.14Å; R287-S290 PolarHBondContact O-OG 2.96Å; N288-S290 VanDerWaalsContact C-N 3.27Å; N288-S290 PolarHBondContact O-N 2.92Å; S290-Q294 WeakPolarHBondContact O-CB 3.08Å; S290-Q294 PolarHBondContact O-N 2.88Å; S290-Q294 VanDerWaalsContact O-N 3.16Å
291	L	85.9	Confident	82	Confident	87 Å²	87	74.6 Å²	74.6	46%	0.455	38%	0.376	S	S	.	.	H	α-helix	trans	-82.7	-43.3	175.5	-67.9	170	0	0	0	111.4	R287 N288 Q289 V293 Q294 Q295	R287-L291 WeakPolarHBondContact O-CG 3.5Å; R287-L291 PolarHBondContact O-N 2.75Å; R287-L291 VanDerWaalsContact O-N 3.1Å; N288-L291 WeakPolarHBondContact O-CB 3.4Å; N288-L291 PolarHBondContact O-N 2.8Å; Q289-L291 VanDerWaalsContact C-N 3.29Å; Q289-L291 PolarHBondContact O-N 3.44Å; L291-V293 VanDerWaalsContact C-N 3.34Å; L291-V293 PolarHBondContact O-N 3.43Å; L291-Q294 WeakPolarHBondContact O-CB 3.47Å; L291-Q294 PolarHBondContact O-N 2.98Å; L291-Q294 VanDerWaalsContact O-N 3.15Å; L291-Q295 WeakPolarHBondContact O-CG 3.36Å; L291-Q295 PolarHBondContact O-N 3.44Å
292	E	90.8	Very high	83.9	Confident	88 Å²	88	75.6 Å²	75.6	41%	0.411	38%	0.382	S	S	.	.	H	α-helix	trans	-57.5	-47.7	172.2	-172.3	-168.1	166.1	0	0	110.7	A262 N288 Q294 Q295 E296	A262-E292 HydrophobicContact CB-CG 3.89Å; N288-E292 PolarHBondContact O-N 2.86Å; E292-Q294 VanDerWaalsContact C-N 3.34Å; E292-Q294 PolarHBondContact O-N 3.17Å; E292-Q295 PolarHBondContact O-N 3.17Å; E292-E296 PolarHBondContact O-N 2.95Å
293	V	92.1	Very high	85.9	Confident	5 Å²	5	70.7 Å²	70.7	3%	0.03	36%	0.356	C	S	.	.	H	α-helix	trans	-64.3	-35.1	175.1	168.7	0	0	0	0	112.2	A262 D263 L266 A267 Q289 L291 I297	A262-V293 HydrophobicContact CB-CG2 3.95Å; D263-V293 WeakPolarHBondContact O-CG2 3.35Å; L266-V293 HydrophobicContact CB-CG1 4.43Å; A267-V293 HydrophobicContact CB-CG1 3.72Å; Q289-V293 WeakPolarHBondContact O-CB 3.23Å; Q289-V293 VanDerWaalsContact O-CG2 3.27Å; Q289-V293 WeakPolarHBondContact O-CG2 3.42Å; Q289-V293 PolarHBondContact O-N 2.83Å; L291-V293 VanDerWaalsContact C-N 3.34Å; L291-V293 PolarHBondContact O-N 3.43Å; V293-I297 WeakPolarHBondContact O-CG1 3.41Å; V293-I297 PolarHBondContact O-N 3.2Å; V293-I297 VanDerWaalsContact O-N 3.15Å
294	Q	89.5	Confident	87.3	Confident	40 Å²	40	63.4 Å²	63.4	19%	0.187	32%	0.324	C	S	.	.	H	α-helix	trans	-63.2	-47.9	174.2	-178.7	71.4	34.8	0	0	111.2	S290 L291 E292 E296 I297 E298	S290-Q294 WeakPolarHBondContact O-CB 3.08Å; S290-Q294 PolarHBondContact O-N 2.88Å; S290-Q294 VanDerWaalsContact O-N 3.16Å; L291-Q294 WeakPolarHBondContact O-CB 3.47Å; L291-Q294 PolarHBondContact O-N 2.98Å; L291-Q294 VanDerWaalsContact O-N 3.15Å; E292-Q294 VanDerWaalsContact C-N 3.34Å; E292-Q294 PolarHBondContact O-N 3.17Å; Q294-E296 PolarHBondContact O-N 3.15Å; Q294-I297 PolarHBondContact O-N 2.8Å; Q294-E298 WeakPolarHBondContact CG-OE1 3.37Å; Q294-E298 PolarHBondContact NE2-OE1 3.33Å; Q294-E298 PolarHBondContact O-N 3.35Å
295	Q	92.5	Very high	88.5	Confident	126 Å²	126	67 Å²	67	59%	0.589	32%	0.323	S	S	*	.	H	α-helix	trans	-62.6	-41	-179.5	-71.4	168.9	-8.3	0	0	111.7	L291 E292 I297 E298 R299	L291-Q295 WeakPolarHBondContact O-CG 3.36Å; L291-Q295 PolarHBondContact O-N 3.44Å; E292-Q295 PolarHBondContact O-N 3.17Å; Q295-I297 PolarHBondContact O-N 3.27Å; Q295-E298 PolarHBondContact O-N 2.88Å; Q295-R299 VanDerWaalsContact O-CB 3.31Å; Q295-R299 WeakPolarHBondContact O-CB 3.43Å; Q295-R299 PolarHBondContact O-N 3.06Å
296	E	94.7	Very high	89.6	Confident	30 Å²	30	66 Å²	66	14%	0.14	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-38	174.7	-75.4	-69.1	90	0	0	112.5	A262 I264 E292 Q294 R299 I300	A262-E296 HydrophobicContact CB-CG 3.84Å; I264-E296 HydrophobicContact CG2-CB 4.14Å; E292-E296 PolarHBondContact O-N 2.95Å; Q294-E296 PolarHBondContact O-N 3.15Å; E296-R299 VanDerWaalsContact CD-NH2 3.32Å; E296-R299 IonicContact OE1-CZ 3.39Å; E296-R299 IonicContact OE1-NE 2.96Å; E296-R299 PolarHBondContact OE1-NE 3.47Å; E296-R299 IonicContact OE1-NH2 2.72Å; E296-R299 PolarHBondContact OE1-NH2 2.81Å; E296-R299 VanDerWaalsContact OE1-NH2 3.14Å; E296-R299 IonicContact OE2-CZ 3.7Å; E296-R299 IonicContact OE2-NE 3.84Å; E296-R299 IonicContact OE2-NH2 3.95Å; E296-R299 PolarHBondContact OE2-NH2 3.26Å; E296-I300 VanDerWaalsContact O-CD1 3.29Å; E296-I300 WeakPolarHBondContact O-CD1 3.42Å; E296-I300 WeakPolarHBondContact O-CG1 3.35Å; E296-I300 PolarHBondContact O-N 2.91Å
297	I	94	Very high	90.4	Very high	6 Å²	6	66.3 Å²	66.3	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-65.6	-47.7	174.8	-65.7	-71.1	0	0	0	110.9	I264 A267 L272 V293 Q294 Q295 R299 I300 F301 L328	I264-I297 HydrophobicContact CB-CD1 4.4Å; I264-I297 HydrophobicContact CG2-CD1 4.35Å; A267-I297 HydrophobicContact CB-CD1 3.56Å; A267-I297 HydrophobicContact CB-CG1 3.58Å; L272-I297 HydrophobicContact CD1-CG2 4.47Å; V293-I297 WeakPolarHBondContact O-CG1 3.41Å; V293-I297 PolarHBondContact O-N 3.2Å; V293-I297 VanDerWaalsContact O-N 3.15Å; Q294-I297 PolarHBondContact O-N 2.8Å; Q295-I297 PolarHBondContact O-N 3.27Å; I297-R299 VanDerWaalsContact C-N 3.33Å; I297-R299 PolarHBondContact O-N 3.07Å; I297-I300 PolarHBondContact O-N 3.22Å; I297-I300 VanDerWaalsContact O-N 3.16Å; I297-F301 HydrophobicContact CG2-CD2 4.01Å; I297-F301 HydrophobicContact CG2-CE2 4.02Å; I297-F301 WeakPolarHBondContact O-CD2 3.45Å; I297-F301 PolarHBondContact O-N 3.23Å; I297-L328 HydrophobicContact CD1-CD1 3.7Å; I297-L328 HydrophobicContact CD1-CD2 3.71Å; I297-L328 HydrophobicContact CD1-CG 3.65Å; I297-L328 HydrophobicContact CG2-CD2 4.42Å
298	E	94.2	Very high	91.6	Very high	102 Å²	102	63.1 Å²	63.1	48%	0.477	30%	0.303	S	S	.	.	H	α-helix	trans	-59.3	-44.1	177.8	-73.7	167.7	-170.1	0	0	111.2	Q294 Q295 I300 F301 D302	Q294-E298 WeakPolarHBondContact CG-OE1 3.37Å; Q294-E298 PolarHBondContact NE2-OE1 3.33Å; Q294-E298 PolarHBondContact O-N 3.35Å; Q295-E298 PolarHBondContact O-N 2.88Å; E298-I300 PolarHBondContact O-N 3.32Å; E298-F301 WeakPolarHBondContact O-CB 3.39Å; E298-F301 PolarHBondContact O-N 3.33Å; E298-D302 PolarHBondContact O-N 2.66Å
299	R	96.6	Very high	92.6	Very high	76 Å²	76	58.3 Å²	58.3	29%	0.287	28%	0.277	S	S	.	.	H	α-helix	trans	-57.6	-43.5	173.5	-173.2	177.5	70.2	90.6	-10.8	112.6	T258 R259 Q295 E296 I297 D302 L303	T258-R299 PolarHBondContact OG1-NH1 3.06Å; R259-R299 PolarHBondContact O-NH2 2.96Å; R259-R299 VanDerWaalsContact O-NH2 3.13Å; Q295-R299 VanDerWaalsContact O-CB 3.31Å; Q295-R299 WeakPolarHBondContact O-CB 3.43Å; Q295-R299 PolarHBondContact O-N 3.06Å; E296-R299 VanDerWaalsContact CD-NH2 3.32Å; E296-R299 IonicContact OE1-CZ 3.39Å; E296-R299 IonicContact OE1-NE 2.96Å; E296-R299 PolarHBondContact OE1-NE 3.47Å; E296-R299 IonicContact OE1-NH2 2.72Å; E296-R299 PolarHBondContact OE1-NH2 2.81Å; E296-R299 VanDerWaalsContact OE1-NH2 3.14Å; E296-R299 IonicContact OE2-CZ 3.7Å; E296-R299 IonicContact OE2-NE 3.84Å; E296-R299 IonicContact OE2-NH2 3.95Å; E296-R299 PolarHBondContact OE2-NH2 3.26Å; I297-R299 VanDerWaalsContact C-N 3.33Å; I297-R299 PolarHBondContact O-N 3.07Å; R299-D302 PolarHBondContact O-N 3.19Å; R299-L303 WeakPolarHBondContact O-CG 3.4Å; R299-L303 PolarHBondContact O-N 3.18Å
300	I	96.8	Very high	93.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.9	-39.2	177.8	-67.4	159.4	0	0	0	111.3	P218 P222 E296 I297 E298 A304 L312 L328	P218-I300 HydrophobicContact CG-CG2 4.5Å; P222-I300 HydrophobicContact CB-CG2 4.19Å; P222-I300 HydrophobicContact CG-CG2 4.1Å; E296-I300 VanDerWaalsContact O-CD1 3.29Å; E296-I300 WeakPolarHBondContact O-CD1 3.42Å; E296-I300 WeakPolarHBondContact O-CG1 3.35Å; E296-I300 PolarHBondContact O-N 2.91Å; I297-I300 PolarHBondContact O-N 3.22Å; I297-I300 VanDerWaalsContact O-N 3.16Å; E298-I300 PolarHBondContact O-N 3.32Å; I300-A304 WeakPolarHBondContact O-CB 3.45Å; I300-A304 PolarHBondContact O-N 3.22Å; I300-A304 VanDerWaalsContact O-N 3.09Å; I300-L312 HydrophobicContact CD1-CD1 3.67Å; I300-L312 HydrophobicContact CD1-CD2 4.29Å; I300-L312 HydrophobicContact CG1-CD1 4.15Å; I300-L312 HydrophobicContact CG1-CD2 3.96Å; I300-L312 HydrophobicContact CG2-CD1 4.34Å; I300-L328 HydrophobicContact CB-CD2 4.19Å; I300-L328 HydrophobicContact CD1-CD1 4.09Å; I300-L328 HydrophobicContact CD1-CD2 4.36Å; I300-L328 HydrophobicContact CG2-CD2 3.74Å
301	F	96.2	Very high	94.2	Very high	61 Å²	61	52.6 Å²	52.6	27%	0.268	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-42.8	173.6	-91.7	-99.8	0	0	0	111.9	V216 P218 I297 E298 A304 R305 L328	V216-F301 HydrophobicContact CG1-CE1 4.36Å; P218-F301 HydrophobicContact CB-CD1 4.43Å; P218-F301 HydrophobicContact CB-CG 4.48Å; P218-F301 HydrophobicContact CG-CD1 4.28Å; P218-F301 HydrophobicContact CG-CD2 3.86Å; P218-F301 HydrophobicContact CG-CE1 4.17Å; P218-F301 HydrophobicContact CG-CE2 3.75Å; P218-F301 HydrophobicContact CG-CG 4.14Å; P218-F301 HydrophobicContact CG-CZ 3.91Å; I297-F301 HydrophobicContact CG2-CD2 4.01Å; I297-F301 HydrophobicContact CG2-CE2 4.02Å; I297-F301 WeakPolarHBondContact O-CD2 3.45Å; I297-F301 PolarHBondContact O-N 3.23Å; E298-F301 WeakPolarHBondContact O-CB 3.39Å; E298-F301 PolarHBondContact O-N 3.33Å; F301-A304 PolarHBondContact O-N 3.32Å; F301-R305 PolarHBondContact O-N 3.06Å; F301-L328 HydrophobicContact CD2-CD2 4.48Å; F301-L328 HydrophobicContact CE2-CD2 4.28Å
302	D	96.4	Very high	94.8	Very high	88 Å²	88	48.5 Å²	48.5	47%	0.471	23%	0.225	S	C	.	.	H	α-helix	trans	-68.2	-38.7	179.3	-112.7	-36.8	0	0	0	113.1	E298 R299 A304 R305	E298-D302 PolarHBondContact O-N 2.66Å; R299-D302 PolarHBondContact O-N 3.19Å; D302-A304 VanDerWaalsContact C-N 3.34Å; D302-R305 WeakPolarHBondContact O-CB 3.38Å; D302-R305 PolarHBondContact O-N 3.4Å; D302-R305 IonicContact OD1-CZ 2.76Å; D302-R305 IonicContact OD1-NE 2.73Å; D302-R305 PolarHBondContact OD1-NE 3.23Å; D302-R305 IonicContact OD1-NH2 3.27Å; D302-R305 PolarHBondContact OD1-NH2 3.41Å
303	L	96.6	Very high	95.1	Very high	40 Å²	40	46.4 Å²	46.4	21%	0.209	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-43.8	171.8	-68.1	-179.9	0	0	0	111.1	I256 T258 R299 R305 T306 V310	I256-L303 HydrophobicContact CD1-CB 4.41Å; I256-L303 HydrophobicContact CD1-CD2 4.13Å; I256-L303 HydrophobicContact CG2-CD1 4.18Å; I256-L303 HydrophobicContact CG2-CD2 4.22Å; T258-L303 HydrophobicContact CG2-CD1 3.89Å; R299-L303 WeakPolarHBondContact O-CG 3.4Å; R299-L303 PolarHBondContact O-N 3.18Å; L303-R305 VanDerWaalsContact C-N 3.26Å; L303-R305 PolarHBondContact O-N 2.93Å; L303-T306 WeakPolarHBondContact O-CB 3.44Å; L303-T306 WeakPolarHBondContact O-CG2 3.18Å; L303-T306 PolarHBondContact O-N 3.47Å; L303-T306 PolarHBondContact O-OG1 3.09Å; L303-V310 HydrophobicContact CB-CG1 4.39Å; L303-V310 HydrophobicContact CB-CG2 3.96Å
304	A	96.1	Very high	95.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.1	-24.5	179.5	0	0	0	0	0	113.7	P218 M220 I300 F301 D302 T306 Q307 V310	P218-A304 HydrophobicContact CB-CB 3.55Å; M220-A304 HydrophobicContact CB-CB 4.38Å; M220-A304 WeakPolarHBondContact O-CB 3.44Å; I300-A304 WeakPolarHBondContact O-CB 3.45Å; I300-A304 PolarHBondContact O-N 3.22Å; I300-A304 VanDerWaalsContact O-N 3.09Å; F301-A304 PolarHBondContact O-N 3.32Å; D302-A304 VanDerWaalsContact C-N 3.34Å; A304-T306 PolarHBondContact O-N 2.82Å; A304-Q307 PolarHBondContact O-N 3.06Å; A304-V310 HydrophobicContact CB-CG2 4.23Å
305	R	93.4	Very high	95.5	Very high	165 Å²	165	45.3 Å²	45.3	62%	0.623	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-19	174.8	-172.5	178.2	52.2	64.3	2	113.2	F301 D302 L303 Q307	F301-R305 PolarHBondContact O-N 3.06Å; D302-R305 WeakPolarHBondContact O-CB 3.38Å; D302-R305 PolarHBondContact O-N 3.4Å; D302-R305 IonicContact OD1-CZ 2.76Å; D302-R305 IonicContact OD1-NE 2.73Å; D302-R305 PolarHBondContact OD1-NE 3.23Å; D302-R305 IonicContact OD1-NH2 3.27Å; D302-R305 PolarHBondContact OD1-NH2 3.41Å; L303-R305 VanDerWaalsContact C-N 3.26Å; L303-R305 PolarHBondContact O-N 2.93Å; R305-Q307 PolarHBondContact O-N 3.47Å
306	T	91.6	Very high	95.6	Very high	68 Å²	68	40.7 Å²	40.7	42%	0.417	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.7	172.4	67	0	0	0	0	113.9	I256 L303 A304 Q308	I256-T306 HydrophobicContact CD1-CG2 4.41Å; L303-T306 WeakPolarHBondContact O-CB 3.44Å; L303-T306 WeakPolarHBondContact O-CG2 3.18Å; L303-T306 PolarHBondContact O-N 3.47Å; L303-T306 PolarHBondContact O-OG1 3.09Å; A304-T306 PolarHBondContact O-N 2.82Å; T306-Q308 PolarHBondContact O-N 3.02Å; T306-Q308 WeakPolarHBondContact OG1-CB 3.33Å; T306-Q308 PolarHBondContact OG1-N 3Å
307	Q	91.1	Very high	95.7	Very high	57 Å²	57	39.3 Å²	39.3	27%	0.266	19%	0.185	S	C	.	.			trans	61.5	10.6	-168.1	-50.6	-161.3	-99.1	0	0	115.3	M220 A304 R305 H404	M220-Q307 HydrophobicContact CG-CB 4.44Å; A304-Q307 PolarHBondContact O-N 3.06Å; R305-Q307 PolarHBondContact O-N 3.47Å; Q307-H404 PolarHBondContact O-CE1 3.5Å; Q307-H404 PolarHBondContact O-NE2 3.07Å
308	Q	95.5	Very high	95.8	Very high	64 Å²	64	39.5 Å²	39.5	30%	0.299	19%	0.186	S	C	.	.	S	Bend	trans	-76.1	162.2	171	-63.1	-173.1	7.3	0	0	112.1	M220 R254 I256 T306 V310	M220-Q308 WeakPolarHBondContact CB-O 3.44Å; M220-Q308 WeakPolarHBondContact CG-O 3.4Å; R254-Q308 WeakPolarHBondContact O-CB 3.45Å; I256-Q308 HydrophobicContact CD1-CB 4.24Å; I256-Q308 HydrophobicContact CG1-CB 4.13Å; T306-Q308 PolarHBondContact O-N 3.02Å; T306-Q308 WeakPolarHBondContact OG1-CB 3.33Å; T306-Q308 PolarHBondContact OG1-N 3Å; Q308-V310 PolarHBondContact O-N 3.28Å
309	L	97.8	Very high	96	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	116.8	168.9	-67.8	173.1	0	0	0	108.8	M220 F251 R254 I255 I256 L396 Y399 W400	M220-L309 HydrophobicContact CE-CD2 3.82Å; M220-L309 HydrophobicContact CE-CG 4.48Å; F251-L309 HydrophobicContact CB-CD1 4.21Å; F251-L309 HydrophobicContact CD1-CD1 3.44Å; F251-L309 VanDerWaalsContact CD1-CD1 3.44Å; F251-L309 HydrophobicContact CD2-CD1 4.47Å; F251-L309 HydrophobicContact CE1-CD1 3.84Å; F251-L309 HydrophobicContact CG-CD1 3.8Å; R254-L309 PolarHBondContact O-N 2.59Å; I255-L309 CarbonylContact C-O 3.53Å; I255-L309 WeakPolarHBondContact CA-O 3.32Å; I255-L309 HydrophobicContact CB-CB 4.37Å; I255-L309 HydrophobicContact CG1-CB 4.08Å; I256-L309 PolarHBondContact N-O 3.43Å; L309-L396 HydrophobicContact CD1-CB 4.45Å; L309-L396 HydrophobicContact CD2-CD2 4.43Å; L309-Y399 HydrophobicContact CD2-CD1 4.02Å; L309-Y399 HydrophobicContact CD2-CE1 4.41Å; L309-W400 HydrophobicContact CD1-CE3 4.42Å; L309-W400 HydrophobicContact CD2-CE3 4.22Å; L309-W400 HydrophobicContact CG-CE3 3.86Å; L309-W400 HydrophobicContact CG-CZ3 4.16Å
310	V	98.2	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.4	173.5	-178.4	0	0	0	0	108.7	P222 V223 I256 L303 A304 Q308 L312	P222-V310 CarbonylContact C-O 3.58Å; P222-V310 WeakPolarHBondContact CA-O 3.4Å; P222-V310 HydrophobicContact CB-CG1 4.38Å; V223-V310 PolarHBondContact N-O 3.24Å; I256-V310 WeakPolarHBondContact O-CA 3.46Å; L303-V310 HydrophobicContact CB-CG1 4.39Å; L303-V310 HydrophobicContact CB-CG2 3.96Å; A304-V310 HydrophobicContact CB-CG2 4.23Å; Q308-V310 PolarHBondContact O-N 3.28Å; V310-L312 HydrophobicContact CG1-CD2 3.78Å
311	V	98.4	Very high	95.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.5	178	-174.6	0	0	0	0	109.3	V223 F244 L247 I255 I256 I257 T258	V223-V311 HydrophobicContact CB-CB 4.44Å; V223-V311 HydrophobicContact CB-CG1 4.29Å; V223-V311 HydrophobicContact CB-CG2 4.05Å; V223-V311 HydrophobicContact CG2-CG2 4.25Å; F244-V311 HydrophobicContact CD1-CG1 3.94Å; F244-V311 HydrophobicContact CE1-CG1 3.62Å; L247-V311 HydrophobicContact CD1-CG1 4.46Å; I255-V311 HydrophobicContact CD1-CG2 3.77Å; I255-V311 HydrophobicContact CG1-CG2 3.94Å; I256-V311 PolarHBondContact O-N 3.22Å; I257-V311 WeakPolarHBondContact CA-O 3.45Å; I257-V311 HydrophobicContact CG1-CB 4.21Å; I257-V311 HydrophobicContact CG2-CB 4.37Å; I257-V311 HydrophobicContact CG2-CG1 4.46Å; T258-V311 PolarHBondContact N-O 2.86Å
312	L	98.2	Very high	95.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	115	-175.4	-49.4	-179.7	0	0	0	111	P222 V223 V224 T258 V260 I264 I300 V310 C314	P222-L312 HydrophobicContact CB-CD1 3.62Å; P222-L312 HydrophobicContact CB-CD2 4.47Å; P222-L312 HydrophobicContact CB-CG 3.82Å; P222-L312 HydrophobicContact CG-CD1 4.23Å; V223-L312 PolarHBondContact O-N 3.43Å; V224-L312 HydrophobicContact CG2-CB 4.35Å; V224-L312 HydrophobicContact CG2-CD1 4.38Å; T258-L312 HydrophobicContact CG2-CD2 3.58Å; T258-L312 WeakPolarHBondContact O-CA 3.47Å; V260-L312 HydrophobicContact CG2-CB 4.13Å; V260-L312 HydrophobicContact CG2-CD2 4.09Å; V260-L312 HydrophobicContact CG2-CG 4.47Å; I264-L312 HydrophobicContact CD1-CD1 4.45Å; I300-L312 HydrophobicContact CD1-CD1 3.67Å; I300-L312 HydrophobicContact CD1-CD2 4.29Å; I300-L312 HydrophobicContact CG1-CD1 4.15Å; I300-L312 HydrophobicContact CG1-CD2 3.96Å; I300-L312 HydrophobicContact CG2-CD1 4.34Å; V310-L312 HydrophobicContact CG1-CD2 3.78Å; L312-C314 VanDerWaalsContact CB-SG 3.51Å; L312-C314 PolarHBondContact O-N 3.35Å
313	D	97.5	Very high	95.8	Very high	44 Å²	44	31.4 Å²	31.4	24%	0.235	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	84.7	164.4	-174.6	28.3	0	0	0	109.8	K231 F244 T258 R259 V260	K231-D313 IonicContact NZ-OD1 3.14Å; K231-D313 PolarHBondContact NZ-OD1 2.85Å; F244-D313 HydrophobicContact CE2-CB 3.81Å; F244-D313 WeakPolarHBondContact CE2-OD1 3.37Å; F244-D313 HydrophobicContact CZ-CB 3.77Å; T258-D313 PolarHBondContact O-N 2.9Å; R259-D313 WeakPolarHBondContact CA-O 3.32Å; R259-D313 HydrophobicContact CG-CB 4.45Å; R259-D313 WeakPolarHBondContact CG-O 3.36Å; V260-D313 PolarHBondContact N-O 2.9Å
314	C	96.6	Very high	95.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.5	179.1	-50.2	0	0	0	0	111.4	K231 V260 L312 I317	K231-C314 WeakPolarHBondContact CD-O 3.41Å; K231-C314 WeakPolarHBondContact CE-O 3.15Å; K231-C314 PolarHBondContact NZ-O 3.22Å; V260-C314 HydrophobicContact CB-CB 4.37Å; V260-C314 WeakPolarHBondContact O-CA 3.27Å; L312-C314 VanDerWaalsContact CB-SG 3.51Å; L312-C314 PolarHBondContact O-N 3.35Å; C314-I317 HydrophobicContact CB-CB 3.98Å; C314-I317 HydrophobicContact CB-CG1 3.61Å
315	D	92.8	Very high	95.3	Very high	23 Å²	23	39.2 Å²	39.2	12%	0.123	20%	0.198	C	C	.	.	S	Bend	trans	-64.5	-41.4	177.9	-80	-16.3	0	0	0	112.6	R259 V260 H502 I505	R259-D315 IonicContact CZ-OD1 3.19Å; R259-D315 IonicContact CZ-OD2 2.75Å; R259-D315 IonicContact NE-OD1 2.73Å; R259-D315 IonicContact NH1-OD2 2.67Å; R259-D315 IonicContact NH2-OD1 2.78Å; R259-D315 PolarHBondContact NH2-OD1 3.41Å; R259-D315 IonicContact NH2-OD2 3.52Å; R259-D315 PolarHBondContact NH2-OD2 3.3Å; V260-D315 PolarHBondContact O-N 3.46Å; D315-H502 IonicContact OD1-NE2 3.62Å; D315-H502 IonicContact OD2-CD2 2.91Å; D315-H502 IonicContact OD2-NE2 3.17Å; D315-H502 PolarHBondContact OD2-NE2 3.41Å; D315-I505 HydrophobicContact CB-CD1 4.23Å
316	T	93.9	Very high	95.2	Very high	29 Å²	29	31.4 Å²	31.4	18%	0.178	17%	0.169	C	C	.	.	S	Bend	trans	-89.9	-14.9	-167.4	68.8	0	0	0	0	114.8	D263 N318 Q322	D263-T316 HydrophobicContact CB-CG2 4.01Å; D263-T316 PolarHBondContact OD1-OG1 3.18Å; T316-N318 PolarHBondContact O-ND2 3.48Å; T316-Q322 PolarHBondContact O-NE2 2.84Å
317	I	97.2	Very high	95.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.			trans	-89.7	117.3	-169.7	-53.4	-57.4	0	0	0	111.2	V224 I226 K231 I264 C314 Q322 L323	V224-I317 HydrophobicContact CG1-CG2 4.09Å; I226-I317 HydrophobicContact CD1-CG2 3.93Å; I226-I317 HydrophobicContact CG1-CG2 4.32Å; K231-I317 WeakPolarHBondContact CE-O 3.46Å; I264-I317 HydrophobicContact CG1-CD1 4.25Å; I264-I317 HydrophobicContact CG1-CG1 4.32Å; C314-I317 HydrophobicContact CB-CB 3.98Å; C314-I317 HydrophobicContact CB-CG1 3.61Å; I317-Q322 HydrophobicContact CD1-CB 4.05Å; I317-L323 HydrophobicContact CD1-CD2 3.68Å; I317-L323 HydrophobicContact CD1-CG 4.12Å; I317-L323 HydrophobicContact CG1-CD1 4.34Å; I317-L323 HydrophobicContact CG1-CD2 4.14Å; I317-L323 HydrophobicContact CG1-CG 4.36Å; I317-L323 HydrophobicContact CG2-CD1 3.92Å; I317-L323 HydrophobicContact CG2-CG 4.04Å
318	N	97.3	Very high	95.5	Very high	10 Å²	10	26 Å²	26	5%	0.053	14%	0.14	C	C	.	.			trans	-137.2	-3.1	-170.1	-71	-85.3	0	0	0	113.1	I226 L230 K231 T316 L368 W509	I226-N318 WeakPolarHBondContact CG2-O 3.46Å; L230-N318 WeakPolarHBondContact CA-OD1 3.28Å; L230-N318 HydrophobicContact CD1-CB 4.13Å; K231-N318 WeakPolarHBondContact CB-OD1 3.5Å; K231-N318 WeakPolarHBondContact CG-OD1 3.46Å; K231-N318 PolarHBondContact N-OD1 3.08Å; T316-N318 PolarHBondContact O-ND2 3.48Å; N318-L368 WeakPolarHBondContact O-CD2 3.37Å; N318-W509 HydrophobicContact CB-CZ2 4.06Å
319	H	97.6	Very high	95.5	Very high	44 Å²	44	23.5 Å²	23.5	20%	0.204	13%	0.131	C	C	.	.	S	Bend	trans	-153.8	136.5	-178.8	-169.8	-88.2	0	0	0	110.8	S321 Q322 C371	H319-S321 VanDerWaalsContact C-N 3.25Å; H319-S321 PolarHBondContact CE1-OG 2.86Å; H319-S321 WeakPolarHBondContact ND1-CB 3.39Å; H319-S321 PolarHBondContact ND1-N 2.8Å; H319-S321 PolarHBondContact ND1-OG 3.08Å; H319-S321 PolarHBondContact O-N 3.34Å; H319-S321 VanDerWaalsContact O-N 3.16Å; H319-Q322 WeakPolarHBondContact O-CB 3.45Å; H319-Q322 PolarHBondContact O-N 3.22Å; H319-C371 PolarHBondContact NE2-SG 3.16Å
320	P	96.8	Very high	95.5	Very high	10 Å²	10	23.9 Å²	23.9	7%	0.065	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-33.8	-172.9	22.5	-34.5	0	0	0	113.4	Q322 L323 S324 T332 Q375 F376	P320-Q322 PolarHBondContact O-N 3.16Å; P320-Q322 VanDerWaalsContact O-N 3.14Å; P320-L323 PolarHBondContact O-N 2.97Å; P320-L323 VanDerWaalsContact O-N 3.13Å; P320-S324 PolarHBondContact O-N 2.91Å; P320-T332 HydrophobicContact CB-CG2 4.22Å; P320-Q375 HydrophobicContact CB-CB 4.11Å; P320-Q375 VanDerWaalsContact CB-O 3.28Å; P320-Q375 WeakPolarHBondContact CB-O 3.31Å; P320-Q375 HydrophobicContact CG-CB 3.83Å; P320-F376 HydrophobicContact CB-CD1 4.37Å; P320-F376 HydrophobicContact CB-CE1 4.1Å; P320-F376 HydrophobicContact CG-CD1 4.28Å; P320-F376 HydrophobicContact CG-CE1 3.63Å; P320-F376 HydrophobicContact CG-CZ 3.97Å
321	S	95.7	Very high	95.5	Very high	62 Å²	62	23.9 Å²	23.9	43%	0.434	13%	0.133	S	C	.	.	H	α-helix	trans	-61.1	-23.4	178.5	73.9	0	0	0	0	114.1	H319 L323 S324	H319-S321 VanDerWaalsContact C-N 3.25Å; H319-S321 PolarHBondContact CE1-OG 2.86Å; H319-S321 WeakPolarHBondContact ND1-CB 3.39Å; H319-S321 PolarHBondContact ND1-N 2.8Å; H319-S321 PolarHBondContact ND1-OG 3.08Å; H319-S321 PolarHBondContact O-N 3.34Å; H319-S321 VanDerWaalsContact O-N 3.16Å; S321-L323 VanDerWaalsContact C-N 3.28Å; S321-L323 PolarHBondContact O-N 2.87Å; S321-S324 PolarHBondContact O-N 2.97Å; S321-S324 PolarHBondContact O-OG 2.88Å
322	Q	95.3	Very high	95.5	Very high	37 Å²	37	24.4 Å²	24.4	17%	0.173	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-37	175.5	-72.9	177.9	-92.9	0	0	112.1	S265 T316 I317 H319 P320	S265-Q322 WeakPolarHBondContact CA-O 3.4Å; S265-Q322 WeakPolarHBondContact CB-O 3.38Å; T316-Q322 PolarHBondContact O-NE2 2.84Å; I317-Q322 HydrophobicContact CD1-CB 4.05Å; H319-Q322 WeakPolarHBondContact O-CB 3.45Å; H319-Q322 PolarHBondContact O-N 3.22Å; P320-Q322 PolarHBondContact O-N 3.16Å; P320-Q322 VanDerWaalsContact O-N 3.14Å
323	L	95.2	Very high	95.5	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.026	14%	0.137	C	C	.	.	H	α-helix	trans	-97.2	-15.9	-178.9	-61.2	-176.6	0	0	0	113.6	V224 I264 I317 P320 S321 K325 T326 P330	V224-L323 HydrophobicContact CB-CD1 4.41Å; V224-L323 HydrophobicContact CG1-CD1 4.18Å; V224-L323 HydrophobicContact CG2-CD1 3.92Å; I264-L323 HydrophobicContact CD1-CD2 3.83Å; I264-L323 HydrophobicContact CG1-CD2 3.94Å; I317-L323 HydrophobicContact CD1-CD2 3.68Å; I317-L323 HydrophobicContact CD1-CG 4.12Å; I317-L323 HydrophobicContact CG1-CD1 4.34Å; I317-L323 HydrophobicContact CG1-CD2 4.14Å; I317-L323 HydrophobicContact CG1-CG 4.36Å; I317-L323 HydrophobicContact CG2-CD1 3.92Å; I317-L323 HydrophobicContact CG2-CG 4.04Å; P320-L323 PolarHBondContact O-N 2.97Å; P320-L323 VanDerWaalsContact O-N 3.13Å; S321-L323 VanDerWaalsContact C-N 3.28Å; S321-L323 PolarHBondContact O-N 2.87Å; L323-K325 PolarHBondContact O-N 3.22Å; L323-T326 HydrophobicContact CD2-CG2 4.21Å; L323-T326 WeakPolarHBondContact O-CB 3.27Å; L323-T326 PolarHBondContact O-N 3.33Å; L323-T326 PolarHBondContact O-OG1 3.26Å; L323-P330 HydrophobicContact CB-CG 3.97Å; L323-P330 HydrophobicContact CD1-CB 4.42Å; L323-P330 HydrophobicContact CD1-CG 3.81Å
324	S	91.9	Very high	95.5	Very high	66 Å²	66	22.8 Å²	22.8	46%	0.462	13%	0.127	S	C	.	.	H	α-helix	trans	-52.7	-28	-179.4	69.9	0	0	0	0	115.5	R269 P320 S321	R269-S324 PolarHBondContact NH1-O 3.35Å; P320-S324 PolarHBondContact O-N 2.91Å; S321-S324 PolarHBondContact O-N 2.97Å; S321-S324 PolarHBondContact O-OG 2.88Å
325	K	88.7	Confident	95.6	Very high	138 Å²	138	23.5 Å²	23.5	60%	0.6	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	6	-179.3	-62.5	-168.4	178.9	-174.8	0	114	K268 R269 L323	K268-K325 CarbonylContact C-O 3.48Å; K268-K325 VanDerWaalsContact CA-O 3.28Å; K268-K325 WeakPolarHBondContact CA-O 3.44Å; K268-K325 HydrophobicContact CG-CB 4.37Å; R269-K325 WeakPolarHBondContact CG-O 3.38Å; R269-K325 PolarHBondContact N-O 3.4Å; L323-K325 PolarHBondContact O-N 3.22Å
326	T	92.1	Very high	95.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	14%	0.135	C	C	.	.	S	Bend	trans	-92.7	171.4	176.5	71.8	0	0	0	0	112.2	I264 A267 R269 L323 L328	I264-T326 WeakPolarHBondContact O-CG2 3.46Å; A267-T326 HydrophobicContact CB-CG2 4.19Å; A267-T326 WeakPolarHBondContact O-CA 3.27Å; R269-T326 WeakPolarHBondContact CD-O 3.37Å; R269-T326 PolarHBondContact NH1-O 3.34Å; L323-T326 HydrophobicContact CD2-CG2 4.21Å; L323-T326 WeakPolarHBondContact O-CB 3.27Å; L323-T326 PolarHBondContact O-N 3.33Å; L323-T326 PolarHBondContact O-OG1 3.26Å; T326-L328 VanDerWaalsContact C-N 3.33Å; T326-L328 PolarHBondContact OG1-N 3.31Å
327	S	92	Very high	95.9	Very high	11 Å²	11	24.6 Å²	24.6	8%	0.077	13%	0.133	C	C	.	.	S	Bend	trans	-85.2	-0.8	169.2	-55.8	0	0	0	0	113.6	V217 P218	V217-S327 WeakPolarHBondContact CA-O 3.32Å; V217-S327 WeakPolarHBondContact CG1-O 3.49Å; P218-S327 WeakPolarHBondContact CD-O 3.42Å
328	L	96	Very high	95.6	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.158	C	C	.	.			trans	-73.3	-29.3	-173.1	-66.2	-177.2	0	0	0	114.2	P218 P222 I264 I297 I300 F301 T326 P330	P218-L328 WeakPolarHBondContact CD-O 3.34Å; P218-L328 HydrophobicContact CG-CD2 4.01Å; P222-L328 WeakPolarHBondContact CD-O 3.43Å; P222-L328 HydrophobicContact CG-CB 4.17Å; I264-L328 HydrophobicContact CD1-CD1 3.82Å; I297-L328 HydrophobicContact CD1-CD1 3.7Å; I297-L328 HydrophobicContact CD1-CD2 3.71Å; I297-L328 HydrophobicContact CD1-CG 3.65Å; I297-L328 HydrophobicContact CG2-CD2 4.42Å; I300-L328 HydrophobicContact CB-CD2 4.19Å; I300-L328 HydrophobicContact CD1-CD1 4.09Å; I300-L328 HydrophobicContact CD1-CD2 4.36Å; I300-L328 HydrophobicContact CG2-CD2 3.74Å; F301-L328 HydrophobicContact CD2-CD2 4.48Å; F301-L328 HydrophobicContact CE2-CD2 4.28Å; T326-L328 VanDerWaalsContact C-N 3.33Å; T326-L328 PolarHBondContact OG1-N 3.31Å; L328-P330 VanDerWaalsContact C-N 3.33Å
329	A	96.1	Very high	95.4	Very high	11 Å²	11	30.2 Å²	30.2	9%	0.091	17%	0.173	C	C	.	.			trans	42.6	52	-176.4	0	0	0	0	0	114	F102 V217 R221	F102-A329 HydrophobicContact CE1-CB 3.67Å; F102-A329 HydrophobicContact CZ-CB 3.87Å; V217-A329 HydrophobicContact CB-CB 4.26Å; V217-A329 HydrophobicContact CG1-CB 3.78Å; R221-A329 PolarHBondContact NE-O 3.2Å
330	P	97.6	Very high	95.2	Very high	10 Å²	10	30.6 Å²	30.6	7%	0.065	18%	0.179	C	C	.	.			trans	-62.8	156.6	-169.3	30.2	-39.2	0	0	0	113	R221 P222 V224 L323 L328 T332	R221-P330 PolarHBondContact NH2-O 3.04Å; P222-P330 HydrophobicContact CG-CB 4.22Å; P222-P330 CarbonylContact O-C 3.59Å; P222-P330 WeakPolarHBondContact O-CA 3.5Å; P222-P330 WeakPolarHBondContact O-CB 3.43Å; V224-P330 HydrophobicContact CB-CB 4.5Å; V224-P330 HydrophobicContact CG2-CB 3.78Å; L323-P330 HydrophobicContact CB-CG 3.97Å; L323-P330 HydrophobicContact CD1-CB 4.42Å; L323-P330 HydrophobicContact CD1-CG 3.81Å; L328-P330 VanDerWaalsContact C-N 3.33Å; P330-T332 PolarHBondContact O-N 3.46Å
331	I	98.4	Very high	95.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	112.3	160.4	-71.2	163.1	0	0	0	106.9	R221 P222 V223 V224 V333 D377 Y395 L396 Y399	R221-I331 HydrophobicContact CB-CD1 3.93Å; R221-I331 HydrophobicContact CB-CG1 3.77Å; P222-I331 PolarHBondContact O-N 2.9Å; V223-I331 CarbonylContact C-O 3.54Å; V223-I331 WeakPolarHBondContact CA-O 3.34Å; V223-I331 HydrophobicContact CG1-CG2 4.3Å; V223-I331 HydrophobicContact CG2-CB 4.23Å; V223-I331 HydrophobicContact CG2-CD1 4.33Å; V223-I331 HydrophobicContact CG2-CG2 4.44Å; V224-I331 PolarHBondContact N-O 3.44Å; I331-V333 HydrophobicContact CG2-CG2 4.23Å; I331-D377 WeakPolarHBondContact CA-OD2 3.46Å; I331-D377 HydrophobicContact CG2-CB 3.95Å; I331-Y395 HydrophobicContact CD1-CE1 4.33Å; I331-Y395 HydrophobicContact CG1-CE1 4.5Å; I331-Y395 HydrophobicContact CG2-CE1 3.82Å; I331-L396 HydrophobicContact CD1-CD2 4.43Å; I331-Y399 HydrophobicContact CD1-CD1 3.49Å; I331-Y399 VanDerWaalsContact CD1-CD1 3.49Å; I331-Y399 HydrophobicContact CD1-CD2 4.16Å; I331-Y399 HydrophobicContact CD1-CE1 3.61Å; I331-Y399 HydrophobicContact CD1-CE2 4.29Å; I331-Y399 HydrophobicContact CD1-CG 3.8Å
332	T	98.1	Very high	95.3	Very high	11 Å²	11	36.9 Å²	36.9	7%	0.067	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	108.2	-173.2	-46.6	0	0	0	0	110.4	I226 P320 P330 F376 D377 V378	I226-T332 HydrophobicContact CD1-CG2 3.5Å; I226-T332 VanDerWaalsContact CD1-CG2 3.5Å; I226-T332 HydrophobicContact CG1-CG2 4.09Å; P320-T332 HydrophobicContact CB-CG2 4.22Å; P330-T332 PolarHBondContact O-N 3.46Å; T332-F376 HydrophobicContact CG2-CD1 3.99Å; T332-D377 PolarHBondContact N-OD2 2.77Å; T332-D377 PolarHBondContact O-N 2.86Å; T332-V378 PolarHBondContact O-N 2.99Å
333	V	98.6	Very high	95.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	117.4	-177.9	-177.3	0	0	0	0	109.1	V223 V224 L225 I226 I331 V378 L380 L392	V223-V333 HydrophobicContact CG1-CG2 3.78Å; V224-V333 PolarHBondContact O-N 3.48Å; L225-V333 HydrophobicContact CD2-CB 3.71Å; L225-V333 HydrophobicContact CD2-CG1 3.93Å; L225-V333 HydrophobicContact CD2-CG2 4.07Å; I226-V333 PolarHBondContact N-O 3.37Å; I331-V333 HydrophobicContact CG2-CG2 4.23Å; V333-V378 WeakPolarHBondContact CA-O 3.34Å; V333-V378 HydrophobicContact CB-CB 4.48Å; V333-V378 HydrophobicContact CG1-CB 4.21Å; V333-V378 HydrophobicContact CG1-CG1 4.39Å; V333-V378 HydrophobicContact CG2-CB 4.23Å; V333-V378 HydrophobicContact CG2-CG2 4.38Å; V333-L380 HydrophobicContact CG1-CD1 3.72Å; V333-L380 HydrophobicContact CG1-CG 3.99Å; V333-L392 HydrophobicContact CG1-CD1 4.01Å; V333-L392 HydrophobicContact CG2-CD1 3.77Å
334	Y	98.4	Very high	95.5	Very high	8 Å²	8	38.1 Å²	38.1	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.2	174.7	178.7	-152.9	0	0	0	110.9	I226 K336 L368 F376 V378 I379 L380	I226-Y334 WeakPolarHBondContact O-CA 3.44Å; Y334-K336 HydrophobicContact CD1-CB 3.97Å; Y334-K336 HydrophobicContact CD1-CD 4.37Å; Y334-K336 HydrophobicContact CD1-CG 4.37Å; Y334-K336 HydrophobicContact CD2-CB 4.42Å; Y334-K336 HydrophobicContact CE1-CB 3.69Å; Y334-K336 HydrophobicContact CE1-CD 3.89Å; Y334-K336 HydrophobicContact CE1-CG 3.69Å; Y334-K336 HydrophobicContact CE2-CB 4.16Å; Y334-K336 HydrophobicContact CG-CB 4.32Å; Y334-K336 PolarHBondContact O-N 3.11Å; Y334-L368 HydrophobicContact CE2-CB 3.96Å; Y334-L368 HydrophobicContact CE2-CD1 4.01Å; Y334-L368 HydrophobicContact CE2-CG 4.44Å; Y334-F376 AromaticContact CD1-CD2 3.9Å; Y334-F376 HydrophobicContact CD1-CD2 3.9Å; Y334-F376 HydrophobicContact CD1-CE1 4.4Å; Y334-F376 AromaticContact CD1-CE2 3.49Å; Y334-F376 HydrophobicContact CD1-CE2 3.49Å; Y334-F376 VanDerWaalsContact CD1-CE2 3.49Å; Y334-F376 HydrophobicContact CD1-CG 4.5Å; Y334-F376 AromaticContact CD1-CZ 3.76Å; Y334-F376 HydrophobicContact CD1-CZ 3.76Å; Y334-F376 HydrophobicContact CD2-CZ 4.41Å; Y334-F376 HydrophobicContact CE1-CE2 4.12Å; Y334-F376 HydrophobicContact CE1-CZ 4.37Å; Y334-F376 HydrophobicContact CG-CD1 4.38Å; Y334-F376 HydrophobicContact CG-CD2 4.3Å; Y334-F376 HydrophobicContact CG-CE1 4.03Å; Y334-F376 AromaticContact CG-CE2 3.96Å; Y334-F376 HydrophobicContact CG-CE2 3.96Å; Y334-F376 HydrophobicContact CG-CG 4.48Å; Y334-F376 AromaticContact CG-CZ 3.8Å; Y334-F376 HydrophobicContact CG-CZ 3.8Å; Y334-V378 PolarHBondContact N-O 2.92Å; Y334-I379 HydrophobicContact CD1-CG1 4.48Å; Y334-I379 HydrophobicContact CD1-CG2 4.05Å; Y334-I379 WeakPolarHBondContact O-CA 3.49Å; Y334-L380 PolarHBondContact O-N 3.14Å
335	L	98	Very high	95.8	Very high	16 Å²	16	43.1 Å²	43.1	8%	0.084	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	108	168.1	-177	53.1	0	0	0	109.1	I226 P228 M239 L243 L380	I226-L335 PolarHBondContact O-N 2.98Å; P228-L335 WeakPolarHBondContact CA-O 3.17Å; P228-L335 WeakPolarHBondContact CB-O 3.37Å; M239-L335 HydrophobicContact CB-CD2 3.9Å; M239-L335 HydrophobicContact CE-CD2 4.14Å; M239-L335 HydrophobicContact CE-CG 4.37Å; L243-L335 HydrophobicContact CD1-CD1 4.47Å; L243-L335 HydrophobicContact CD1-CD2 3.92Å; L335-L380 HydrophobicContact CD1-CB 4.13Å
336	K	97.3	Very high	96.2	Very high	49 Å²	49	39.5 Å²	39.5	21%	0.213	20%	0.203	C	C	.	.			trans	-111.4	109.2	-164.5	177.8	-178.4	166.7	-163.7	0	112	Y334 S338 I379 L380 E381	Y334-K336 HydrophobicContact CD1-CB 3.97Å; Y334-K336 HydrophobicContact CD1-CD 4.37Å; Y334-K336 HydrophobicContact CD1-CG 4.37Å; Y334-K336 HydrophobicContact CD2-CB 4.42Å; Y334-K336 HydrophobicContact CE1-CB 3.69Å; Y334-K336 HydrophobicContact CE1-CD 3.89Å; Y334-K336 HydrophobicContact CE1-CG 3.69Å; Y334-K336 HydrophobicContact CE2-CB 4.16Å; Y334-K336 HydrophobicContact CG-CB 4.32Å; Y334-K336 PolarHBondContact O-N 3.11Å; K336-S338 WeakPolarHBondContact CE-OG 3.3Å; K336-S338 PolarHBondContact O-N 3.37Å; K336-I379 HydrophobicContact CB-CG2 4Å; K336-I379 HydrophobicContact CD-CG2 3.56Å; K336-I379 HydrophobicContact CG-CG2 4.45Å; K336-L380 WeakPolarHBondContact CB-O 3.38Å; K336-L380 PolarHBondContact N-O 3.41Å; K336-E381 HydrophobicContact CB-CB 4.26Å; K336-E381 HydrophobicContact CD-CB 4.11Å; K336-E381 VanDerWaalsContact CE-OE2 3.27Å; K336-E381 WeakPolarHBondContact CE-OE2 3.25Å; K336-E381 HydrophobicContact CG-CB 4.36Å; K336-E381 IonicContact NZ-OE2 3.47Å; K336-E381 PolarHBondContact NZ-OE2 3.49Å
337	I	96.3	Very high	96.5	Very high	26 Å²	26	39.5 Å²	39.5	13%	0.133	20%	0.203	C	C	.	.			trans	-84.9	99.3	166.3	-65.2	174.5	0	0	0	108.9	P228 M239 S339 V342 L343 L346	P228-I337 HydrophobicContact CB-CB 4.17Å; P228-I337 HydrophobicContact CB-CD1 3.64Å; P228-I337 HydrophobicContact CB-CG1 3.62Å; P228-I337 HydrophobicContact CG-CD1 3.61Å; P228-I337 HydrophobicContact CG-CG1 4.08Å; M239-I337 HydrophobicContact CE-CD1 4.09Å; M239-I337 HydrophobicContact CE-CG1 4.36Å; M239-I337 HydrophobicContact SD-CD1 4.15Å; I337-S339 WeakPolarHBondContact CG2-O 3.43Å; I337-S339 PolarHBondContact O-N 2.9Å; I337-V342 HydrophobicContact CG2-CB 4.1Å; I337-V342 HydrophobicContact CG2-CG1 4.23Å; I337-L343 HydrophobicContact CD1-CB 4.45Å; I337-L343 HydrophobicContact CD1-CD1 4.23Å; I337-L343 HydrophobicContact CG2-CB 4.28Å; I337-L346 HydrophobicContact CD1-CD1 3.82Å
338	S	89.9	Confident	96.7	Very high	76 Å²	76	44.5 Å²	44.5	53%	0.531	22%	0.224	S	C	.	.	S	Bend	trans	-63.4	-0.6	-178.5	-62.2	0	0	0	0	115.7	K336	K336-S338 WeakPolarHBondContact CE-OG 3.3Å; K336-S338 PolarHBondContact O-N 3.37Å
339	S	93.9	Very high	96.8	Very high	51 Å²	51	49.8 Å²	49.8	36%	0.357	26%	0.256	S	S	.	.			trans	-134.2	108	175.6	-177.3	0	0	0	0	111.9	I337 K341 V342 L343	I337-S339 WeakPolarHBondContact CG2-O 3.43Å; I337-S339 PolarHBondContact O-N 2.9Å; S339-K341 PolarHBondContact O-N 3.35Å; S339-K341 VanDerWaalsContact O-N 3.13Å; S339-V342 WeakPolarHBondContact O-CA 3.35Å; S339-V342 WeakPolarHBondContact O-CB 3.44Å; S339-V342 PolarHBondContact O-N 3.02Å; S339-L343 PolarHBondContact O-N 3.06Å
340	T	93.8	Very high	96.8	Very high	53 Å²	53	54 Å²	54	33%	0.325	27%	0.27	S	S	.	.	H	α-helix	trans	-55.4	-30.9	175.1	53.1	0	0	0	0	112.7	V342 L343 Q344 M362 L369	T340-V342 VanDerWaalsContact C-N 3.32Å; T340-V342 PolarHBondContact O-N 3.45Å; T340-L343 PolarHBondContact O-N 3.13Å; T340-Q344 WeakPolarHBondContact O-CG 3.38Å; T340-Q344 PolarHBondContact O-N 3.08Å; T340-M362 HydrophobicContact CG2-CE 3.91Å; T340-L369 HydrophobicContact CG2-CD1 3.92Å
341	K	96.4	Very high	96.7	Very high	143 Å²	143	55 Å²	55	62%	0.622	28%	0.281	S	S	*	.	H	α-helix	trans	-66.8	-28.2	173.8	-68.2	179.2	179.9	175.3	0	113.3	S339 R345	S339-K341 PolarHBondContact O-N 3.35Å; S339-K341 VanDerWaalsContact O-N 3.13Å; K341-R345 WeakPolarHBondContact O-CD 3.4Å; K341-R345 VanDerWaalsContact O-CG 3.27Å; K341-R345 WeakPolarHBondContact O-CG 3.42Å; K341-R345 PolarHBondContact O-N 2.85Å
342	V	97.2	Very high	96.6	Very high	60 Å²	60	63.8 Å²	63.8	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-74.4	-47.1	172.8	174.3	0	0	0	0	109.9	I337 S339 T340 Q344 R345 L346	I337-V342 HydrophobicContact CG2-CB 4.1Å; I337-V342 HydrophobicContact CG2-CG1 4.23Å; S339-V342 WeakPolarHBondContact O-CA 3.35Å; S339-V342 WeakPolarHBondContact O-CB 3.44Å; S339-V342 PolarHBondContact O-N 3.02Å; T340-V342 VanDerWaalsContact C-N 3.32Å; T340-V342 PolarHBondContact O-N 3.45Å; V342-Q344 VanDerWaalsContact C-N 3.34Å; V342-Q344 PolarHBondContact O-N 3.36Å; V342-R345 WeakPolarHBondContact O-CA 3.44Å; V342-R345 WeakPolarHBondContact O-CB 3.35Å; V342-R345 PolarHBondContact O-N 3.11Å; V342-L346 HydrophobicContact CG1-CD1 4.1Å; V342-L346 HydrophobicContact CG1-CG 4.4Å; V342-L346 WeakPolarHBondContact O-CG 3.47Å; V342-L346 PolarHBondContact O-N 2.95Å
343	L	97.3	Very high	96.4	Very high	3 Å²	3	65.7 Å²	65.7	2%	0.016	33%	0.333	C	S	.	.	H	α-helix	trans	-56.1	-46.5	174.6	177.8	59	0	0	0	111.8	V235 I337 S339 T340 R345 L346 I347 M362 A365	V235-L343 HydrophobicContact CG1-CD1 4.06Å; I337-L343 HydrophobicContact CD1-CB 4.45Å; I337-L343 HydrophobicContact CD1-CD1 4.23Å; I337-L343 HydrophobicContact CG2-CB 4.28Å; S339-L343 PolarHBondContact O-N 3.06Å; T340-L343 PolarHBondContact O-N 3.13Å; L343-R345 PolarHBondContact O-N 3.28Å; L343-L346 PolarHBondContact O-N 2.92Å; L343-L346 VanDerWaalsContact O-N 3.16Å; L343-I347 HydrophobicContact CD1-CD1 3.91Å; L343-I347 HydrophobicContact CD1-CG1 4.06Å; L343-I347 HydrophobicContact CG-CD1 3.86Å; L343-I347 HydrophobicContact CG-CG1 4.44Å; L343-I347 WeakPolarHBondContact O-CG1 3.29Å; L343-I347 PolarHBondContact O-N 3.26Å; L343-M362 HydrophobicContact CB-SD 4.39Å; L343-M362 HydrophobicContact CD2-CE 4.07Å; L343-M362 HydrophobicContact CD2-SD 3.82Å; L343-M362 HydrophobicContact CG-SD 3.9Å; L343-A365 HydrophobicContact CD2-CB 3.4Å
344	Q	97.3	Very high	96.3	Very high	65 Å²	65	66.5 Å²	66.5	30%	0.304	34%	0.337	S	S	.	.	H	α-helix	trans	-58.7	-31	174.6	-73.9	-179.3	6.4	0	0	114	T340 V342 K348 M358 M362	T340-Q344 WeakPolarHBondContact O-CG 3.38Å; T340-Q344 PolarHBondContact O-N 3.08Å; V342-Q344 VanDerWaalsContact C-N 3.34Å; V342-Q344 PolarHBondContact O-N 3.36Å; Q344-K348 VanDerWaalsContact O-CD 3.31Å; Q344-K348 WeakPolarHBondContact O-CD 3.5Å; Q344-K348 WeakPolarHBondContact O-CG 3.49Å; Q344-K348 PolarHBondContact O-N 2.97Å; Q344-M358 HydrophobicContact CB-SD 4.36Å; Q344-M358 HydrophobicContact CG-SD 4.21Å; Q344-M362 HydrophobicContact CG-CE 4.11Å; Q344-M362 HydrophobicContact CG-CG 4.17Å; Q344-M362 HydrophobicContact CG-SD 3.51Å; Q344-M362 VanDerWaalsContact CG-SD 3.51Å
345	R	97.5	Very high	96.2	Very high	171 Å²	171	67.8 Å²	67.8	65%	0.645	35%	0.349	S	S	*	.	H	α-helix	trans	-74.6	-44.9	175	-72.8	165.6	179.5	170.2	-2.2	110.8	K341 V342 L343 I347 K348 T349	K341-R345 WeakPolarHBondContact O-CD 3.4Å; K341-R345 VanDerWaalsContact O-CG 3.27Å; K341-R345 WeakPolarHBondContact O-CG 3.42Å; K341-R345 PolarHBondContact O-N 2.85Å; V342-R345 WeakPolarHBondContact O-CA 3.44Å; V342-R345 WeakPolarHBondContact O-CB 3.35Å; V342-R345 PolarHBondContact O-N 3.11Å; L343-R345 PolarHBondContact O-N 3.28Å; R345-I347 PolarHBondContact O-N 3.3Å; R345-K348 PolarHBondContact O-N 3.05Å; R345-K348 VanDerWaalsContact O-N 3.08Å; R345-T349 PolarHBondContact O-N 3.09Å
346	L	97.5	Very high	96.1	Very high	63 Å²	63	76.6 Å²	76.6	33%	0.33	38%	0.381	S	S	.	.	H	α-helix	trans	-59.8	-43.1	176.9	-66.2	171.1	0	0	0	112	V235 I337 V342 L343 K348 T349 R350	V235-L346 HydrophobicContact CG1-CB 3.98Å; V235-L346 HydrophobicContact CG1-CD1 4.39Å; V235-L346 HydrophobicContact CG2-CB 4.3Å; I337-L346 HydrophobicContact CD1-CD1 3.82Å; V342-L346 HydrophobicContact CG1-CD1 4.1Å; V342-L346 HydrophobicContact CG1-CG 4.4Å; V342-L346 WeakPolarHBondContact O-CG 3.47Å; V342-L346 PolarHBondContact O-N 2.95Å; L343-L346 PolarHBondContact O-N 2.92Å; L343-L346 VanDerWaalsContact O-N 3.16Å; L346-K348 PolarHBondContact O-N 3.39Å; L346-T349 PolarHBondContact O-N 2.7Å; L346-T349 PolarHBondContact O-OG1 2.9Å; L346-R350 PolarHBondContact O-N 2.93Å
347	I	97.8	Very high	96.1	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-61.6	-35.4	175.4	-64.2	168.7	0	0	0	111.4	V235 L343 R345 Q354 M358 Q361 M362	V235-I347 HydrophobicContact CG2-CG1 4.04Å; L343-I347 HydrophobicContact CD1-CD1 3.91Å; L343-I347 HydrophobicContact CD1-CG1 4.06Å; L343-I347 HydrophobicContact CG-CD1 3.86Å; L343-I347 HydrophobicContact CG-CG1 4.44Å; L343-I347 WeakPolarHBondContact O-CG1 3.29Å; L343-I347 PolarHBondContact O-N 3.26Å; R345-I347 PolarHBondContact O-N 3.3Å; I347-Q354 HydrophobicContact CG2-CB 4.36Å; I347-M358 HydrophobicContact CB-CG 4.46Å; I347-M358 HydrophobicContact CD1-CG 4.15Å; I347-M358 HydrophobicContact CG2-CB 3.89Å; I347-M358 HydrophobicContact CG2-CG 4.01Å; I347-Q361 HydrophobicContact CD1-CB 3.72Å; I347-Q361 HydrophobicContact CD1-CG 4.49Å; I347-M362 HydrophobicContact CD1-SD 4.16Å
348	K	97.5	Very high	96.1	Very high	117 Å²	117	76.9 Å²	76.9	51%	0.509	39%	0.385	S	S	.	.	H	α-helix	trans	-76.3	-33.4	178.6	-72.3	170.1	-172.7	174.7	0	113.2	Q344 R345 L346 R350 G351 M358	Q344-K348 VanDerWaalsContact O-CD 3.31Å; Q344-K348 WeakPolarHBondContact O-CD 3.5Å; Q344-K348 WeakPolarHBondContact O-CG 3.49Å; Q344-K348 PolarHBondContact O-N 2.97Å; R345-K348 PolarHBondContact O-N 3.05Å; R345-K348 VanDerWaalsContact O-N 3.08Å; L346-K348 PolarHBondContact O-N 3.39Å; K348-R350 VanDerWaalsContact C-N 3.27Å; K348-R350 PolarHBondContact O-N 2.76Å; K348-G351 PolarHBondContact O-N 3.3Å; K348-M358 VanDerWaalsContact CE-SD 3.53Å
349	T	97.1	Very high	96.4	Very high	112 Å²	112	79 Å²	79	69%	0.687	39%	0.39	S	S	*	.	H	α-helix	trans	-70.1	-23.3	176.6	54.2	0	0	0	0	112.9	R345 L346 G351	R345-T349 PolarHBondContact O-N 3.09Å; L346-T349 PolarHBondContact O-N 2.7Å; L346-T349 PolarHBondContact O-OG1 2.9Å; T349-G351 PolarHBondContact O-N 2.94Å
350	R	96.8	Very high	96.6	Very high	100 Å²	100	79.9 Å²	79.9	38%	0.377	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	0.2	167	-56.1	-50.4	-57.5	-171.5	-2.5	114.4	E234 V235 M238 L346 K348 S353 Q354	E234-R350 HydrophobicContact CB-CG 4.2Å; E234-R350 IonicContact OE2-CZ 2.77Å; E234-R350 IonicContact OE2-NE 3.22Å; E234-R350 PolarHBondContact OE2-NE 2.76Å; E234-R350 IonicContact OE2-NH2 3.62Å; E234-R350 PolarHBondContact OE2-NH2 2.89Å; V235-R350 HydrophobicContact CG2-CG 3.72Å; M238-R350 VanDerWaalsContact SD-CZ 3.5Å; M238-R350 PolarHBondContact SD-NH1 2.71Å; L346-R350 PolarHBondContact O-N 2.93Å; K348-R350 VanDerWaalsContact C-N 3.27Å; K348-R350 PolarHBondContact O-N 2.76Å; R350-S353 PolarHBondContact O-OG 3.5Å; R350-Q354 HydrophobicContact CB-CB 3.83Å; R350-Q354 HydrophobicContact CB-CG 3.52Å; R350-Q354 HydrophobicContact CG-CG 4.39Å
351	G	96.1	Very high	96.8	Very high	29 Å²	29	77.3 Å²	77.3	30%	0.299	38%	0.378	S	S	.	.			trans	83.9	-172.6	170.6	0	0	0	0	0	115.7	K348 T349 S353 Q354 A355	K348-G351 PolarHBondContact O-N 3.3Å; T349-G351 PolarHBondContact O-N 2.94Å; G351-S353 VanDerWaalsContact C-N 3.26Å; G351-S353 PolarHBondContact O-N 3.4Å; G351-Q354 PolarHBondContact O-N 3.46Å; G351-A355 WeakPolarHBondContact O-CB 3.26Å; G351-A355 PolarHBondContact O-N 2.94Å
352	K	95.3	Very high	96.8	Very high	186 Å²	186	71 Å²	71	81%	0.809	35%	0.35	S	S	*	.	H	α-helix	trans	-63.8	-26.6	-168.9	-64.4	-179.5	-178.6	176.9	0	113.8	R356	K352-R356 WeakPolarHBondContact O-CG 3.07Å; K352-R356 PolarHBondContact O-N 2.87Å; K352-R356 PolarHBondContact O-NE 2.95Å
353	S	94.9	Very high	96.8	Very high	51 Å²	51	71.6 Å²	71.6	36%	0.357	35%	0.354	S	S	.	.	H	α-helix	trans	-58.4	-55.1	175.6	43.2	0	0	0	0	111.2	R350 G351	R350-S353 PolarHBondContact O-OG 3.5Å; G351-S353 VanDerWaalsContact C-N 3.26Å; G351-S353 PolarHBondContact O-N 3.4Å
354	Q	96.4	Very high	96.8	Very high	17 Å²	17	72 Å²	72	8%	0.079	36%	0.358	C	S	.	.	H	α-helix	trans	-75.1	-43.2	-179	-63.8	-57.9	-35	0	0	112	E234 I347 R350 G351 R356 N357 M358	E234-Q354 HydrophobicContact CB-CG 4.23Å; E234-Q354 HydrophobicContact CG-CG 4.25Å; E234-Q354 VanDerWaalsContact OE1-CG 3.31Å; E234-Q354 WeakPolarHBondContact OE1-CG 2.9Å; E234-Q354 PolarHBondContact OE1-NE2 2.77Å; I347-Q354 HydrophobicContact CG2-CB 4.36Å; R350-Q354 HydrophobicContact CB-CB 3.83Å; R350-Q354 HydrophobicContact CB-CG 3.52Å; R350-Q354 HydrophobicContact CG-CG 4.39Å; G351-Q354 PolarHBondContact O-N 3.46Å; Q354-R356 PolarHBondContact O-N 2.78Å; Q354-R356 VanDerWaalsContact O-N 3.13Å; Q354-N357 PolarHBondContact O-N 3.39Å; Q354-M358 PolarHBondContact O-N 3.31Å
355	A	95.7	Very high	96.8	Very high	36 Å²	36	69.1 Å²	69.1	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-58.2	-29.6	-177.8	0	0	0	0	0	114.3	G351 N357 M358	G351-A355 WeakPolarHBondContact O-CB 3.26Å; G351-A355 PolarHBondContact O-N 2.94Å; A355-N357 PolarHBondContact O-N 2.86Å; A355-M358 VanDerWaalsContact O-CB 3.27Å; A355-M358 WeakPolarHBondContact O-CB 3.37Å; A355-M358 PolarHBondContact O-N 2.86Å
356	R	96.5	Very high	96.7	Very high	200 Å²	200	65 Å²	65	76%	0.755	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.9	173.3	-76.8	179.5	-58.6	-170.2	6.8	113.5	K352 Q354	K352-R356 WeakPolarHBondContact O-CG 3.07Å; K352-R356 PolarHBondContact O-N 2.87Å; K352-R356 PolarHBondContact O-NE 2.95Å; Q354-R356 PolarHBondContact O-N 2.78Å; Q354-R356 VanDerWaalsContact O-N 3.13Å
357	N	96.2	Very high	96.7	Very high	46 Å²	46	65.1 Å²	65.1	25%	0.246	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	9.7	-177.7	-60.8	-47.2	0	0	0	112.8	Y233 Q354 A355 N359 V360 Q361	Y233-N357 HydrophobicContact CD1-CB 4.32Å; Y233-N357 HydrophobicContact CE1-CB 3.49Å; Y233-N357 VanDerWaalsContact CE1-CB 3.49Å; Q354-N357 PolarHBondContact O-N 3.39Å; A355-N357 PolarHBondContact O-N 2.86Å; N357-N359 VanDerWaalsContact C-N 3.28Å; N357-N359 PolarHBondContact O-N 3.23Å; N357-V360 PolarHBondContact O-N 3.05Å; N357-V360 VanDerWaalsContact O-N 3.1Å; N357-Q361 PolarHBondContact O-N 3.22Å
358	M	96.4	Very high	96.7	Very high	35 Å²	35	65.2 Å²	65.2	17%	0.172	33%	0.332	C	S	.	.	H	α-helix	trans	-53	-42.3	-174.8	-177	-179.5	66.9	0	0	112.6	Q344 I347 K348 Q354 A355 V360 Q361 M362	Q344-M358 HydrophobicContact CB-SD 4.36Å; Q344-M358 HydrophobicContact CG-SD 4.21Å; I347-M358 HydrophobicContact CB-CG 4.46Å; I347-M358 HydrophobicContact CD1-CG 4.15Å; I347-M358 HydrophobicContact CG2-CB 3.89Å; I347-M358 HydrophobicContact CG2-CG 4.01Å; K348-M358 VanDerWaalsContact CE-SD 3.53Å; Q354-M358 PolarHBondContact O-N 3.31Å; A355-M358 VanDerWaalsContact O-CB 3.27Å; A355-M358 WeakPolarHBondContact O-CB 3.37Å; A355-M358 PolarHBondContact O-N 2.86Å; M358-V360 VanDerWaalsContact C-N 3.33Å; M358-V360 PolarHBondContact O-N 3.39Å; M358-Q361 PolarHBondContact O-N 3.24Å; M358-M362 HydrophobicContact CG-CG 4.15Å; M358-M362 VanDerWaalsContact O-CG 3.3Å; M358-M362 WeakPolarHBondContact O-CG 3.36Å; M358-M362 PolarHBondContact O-N 2.84Å
359	N	97.3	Very high	96.5	Very high	120 Å²	120	63.2 Å²	63.2	64%	0.642	33%	0.326	S	S	*	.	H	α-helix	trans	-62.4	-38.6	-178.4	-65.9	3.4	0	0	0	112.6	N357 M362 V363	N357-N359 VanDerWaalsContact C-N 3.28Å; N357-N359 PolarHBondContact O-N 3.23Å; N359-M362 PolarHBondContact O-N 2.89Å; N359-V363 WeakPolarHBondContact O-CG2 3.44Å; N359-V363 PolarHBondContact O-N 3.37Å
360	V	97.2	Very high	96.4	Very high	70 Å²	70	65 Å²	65	42%	0.424	33%	0.327	S	S	.	.	H	α-helix	trans	-69.1	-41.4	179.8	-168.6	0	0	0	0	110.4	L230 N357 M358 V363 A364	L230-V360 HydrophobicContact CD2-CG1 3.71Å; N357-V360 PolarHBondContact O-N 3.05Å; N357-V360 VanDerWaalsContact O-N 3.1Å; M358-V360 VanDerWaalsContact C-N 3.33Å; M358-V360 PolarHBondContact O-N 3.39Å; V360-V363 PolarHBondContact O-N 3.11Å; V360-A364 PolarHBondContact O-N 2.89Å; V360-A364 VanDerWaalsContact O-N 3.16Å
361	Q	97.6	Very high	96.3	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-44.4	172.9	-77.1	-176.8	61.3	0	0	112.1	S229 Y233 I347 N357 M358 A364 A365	S229-Q361 WeakPolarHBondContact OG-CA 3.29Å; S229-Q361 WeakPolarHBondContact OG-CB 3.24Å; S229-Q361 PolarHBondContact OG-O 3.24Å; S229-Q361 VanDerWaalsContact OG-O 3.06Å; Y233-Q361 HydrophobicContact CD1-CG 4.12Å; Y233-Q361 HydrophobicContact CD2-CG 3.9Å; Y233-Q361 HydrophobicContact CE1-CG 4.45Å; Y233-Q361 HydrophobicContact CE2-CG 4.27Å; Y233-Q361 HydrophobicContact CG-CG 3.81Å; I347-Q361 HydrophobicContact CD1-CB 3.72Å; I347-Q361 HydrophobicContact CD1-CG 4.49Å; N357-Q361 PolarHBondContact O-N 3.22Å; M358-Q361 PolarHBondContact O-N 3.24Å; Q361-A364 PolarHBondContact O-N 3.18Å; Q361-A365 PolarHBondContact O-N 3.27Å
362	M	97.6	Very high	96.3	Very high	9 Å²	9	63.2 Å²	63.2	4%	0.044	32%	0.322	C	S	.	.	H	α-helix	trans	-62.8	-43.7	176.8	-68.2	-47.2	-51.3	0	0	112.2	T340 L343 Q344 I347 M358 N359 A364 A365 E366	T340-M362 HydrophobicContact CG2-CE 3.91Å; L343-M362 HydrophobicContact CB-SD 4.39Å; L343-M362 HydrophobicContact CD2-CE 4.07Å; L343-M362 HydrophobicContact CD2-SD 3.82Å; L343-M362 HydrophobicContact CG-SD 3.9Å; Q344-M362 HydrophobicContact CG-CE 4.11Å; Q344-M362 HydrophobicContact CG-CG 4.17Å; Q344-M362 HydrophobicContact CG-SD 3.51Å; Q344-M362 VanDerWaalsContact CG-SD 3.51Å; I347-M362 HydrophobicContact CD1-SD 4.16Å; M358-M362 HydrophobicContact CG-CG 4.15Å; M358-M362 VanDerWaalsContact O-CG 3.3Å; M358-M362 WeakPolarHBondContact O-CG 3.36Å; M358-M362 PolarHBondContact O-N 2.84Å; N359-M362 PolarHBondContact O-N 2.89Å; M362-A364 VanDerWaalsContact C-N 3.31Å; M362-A364 PolarHBondContact O-N 2.72Å; M362-A365 PolarHBondContact O-N 2.73Å; M362-E366 WeakPolarHBondContact O-CB 3.18Å; M362-E366 VanDerWaalsContact O-CG 3.29Å; M362-E366 WeakPolarHBondContact O-CG 3.33Å; M362-E366 PolarHBondContact O-N 3.3Å
363	V	97.2	Very high	96.2	Very high	73 Å²	73	59.9 Å²	59.9	44%	0.442	31%	0.313	S	S	.	.	H	α-helix	trans	-61.9	-37.3	177.5	168.7	0	0	0	0	111.9	N359 V360 E366 K367	N359-V363 WeakPolarHBondContact O-CG2 3.44Å; N359-V363 PolarHBondContact O-N 3.37Å; V360-V363 PolarHBondContact O-N 3.11Å; V363-E366 PolarHBondContact O-N 3.08Å; V363-K367 WeakPolarHBondContact O-CB 3.17Å; V363-K367 WeakPolarHBondContact O-CG 3.46Å; V363-K367 PolarHBondContact O-N 3.21Å
364	A	96.7	Very high	96.1	Very high	13 Å²	13	62.3 Å²	62.3	11%	0.107	32%	0.322	C	S	.	.	H	α-helix	trans	-66.4	-44.8	174.9	0	0	0	0	0	112.2	L230 V360 Q361 M362 E366 K367 L368	L230-A364 HydrophobicContact CB-CB 3.7Å; L230-A364 HydrophobicContact CD1-CB 4.25Å; L230-A364 HydrophobicContact CG-CB 4.42Å; V360-A364 PolarHBondContact O-N 2.89Å; V360-A364 VanDerWaalsContact O-N 3.16Å; Q361-A364 PolarHBondContact O-N 3.18Å; M362-A364 VanDerWaalsContact C-N 3.31Å; M362-A364 PolarHBondContact O-N 2.72Å; A364-E366 VanDerWaalsContact C-N 3.34Å; A364-E366 PolarHBondContact O-N 3.14Å; A364-K367 PolarHBondContact O-N 2.71Å; A364-L368 PolarHBondContact O-N 2.76Å
365	A	97.3	Very high	96	Very high	4 Å²	4	65 Å²	65	3%	0.033	34%	0.335	C	S	.	.	H	α-helix	trans	-63.5	-37.9	175	0	0	0	0	0	112.4	P228 L343 Q361 M362 L368 L369	P228-A365 VanDerWaalsContact O-CB 3.3Å; P228-A365 WeakPolarHBondContact O-CB 3.32Å; L343-A365 HydrophobicContact CD2-CB 3.4Å; Q361-A365 PolarHBondContact O-N 3.27Å; M362-A365 PolarHBondContact O-N 2.73Å; A365-L368 PolarHBondContact O-N 2.96Å; A365-L369 WeakPolarHBondContact O-CG 3.39Å; A365-L369 PolarHBondContact O-N 3.12Å
366	E	96.6	Very high	96.1	Very high	84 Å²	84	64.2 Å²	64.2	39%	0.393	33%	0.325	S	S	.	.	H	α-helix	trans	-70.4	-34.4	176.1	-74.6	169	-163	0	0	112.6	M362 V363 A364 L369 Q370	M362-E366 WeakPolarHBondContact O-CB 3.18Å; M362-E366 VanDerWaalsContact O-CG 3.29Å; M362-E366 WeakPolarHBondContact O-CG 3.33Å; M362-E366 PolarHBondContact O-N 3.3Å; V363-E366 PolarHBondContact O-N 3.08Å; A364-E366 VanDerWaalsContact C-N 3.34Å; A364-E366 PolarHBondContact O-N 3.14Å; E366-L369 PolarHBondContact O-N 3Å; E366-Q370 VanDerWaalsContact O-CG 3.31Å; E366-Q370 WeakPolarHBondContact O-CG 3.47Å; E366-Q370 PolarHBondContact O-N 2.89Å; E366-Q370 PolarHBondContact O-NE2 2.8Å
367	K	96.2	Very high	96.1	Very high	65 Å²	65	57.1 Å²	57.1	28%	0.283	30%	0.301	S	S	.	.	H	α-helix	trans	-65	-39.7	169.4	-75.8	-175	180	-173.8	0	110.6	V363 A364 Q370 E513	V363-K367 WeakPolarHBondContact O-CB 3.17Å; V363-K367 WeakPolarHBondContact O-CG 3.46Å; V363-K367 PolarHBondContact O-N 3.21Å; A364-K367 PolarHBondContact O-N 2.71Å; K367-Q370 WeakPolarHBondContact O-CB 3.29Å; K367-Q370 PolarHBondContact O-N 2.8Å; K367-E513 IonicContact NZ-OE1 3.54Å; K367-E513 PolarHBondContact NZ-OE1 2.61Å; K367-E513 IonicContact NZ-OE2 2.63Å; K367-E513 PolarHBondContact NZ-OE2 3.45Å
368	L	97.2	Very high	96.2	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-67	-36.9	174.4	-74.7	171.6	0	0	0	113.8	I226 N318 Y334 A364 A365 Q370 C371 F376	I226-L368 HydrophobicContact CG2-CD1 4.04Å; I226-L368 HydrophobicContact CG2-CD2 3.58Å; I226-L368 HydrophobicContact CG2-CG 4.48Å; N318-L368 WeakPolarHBondContact O-CD2 3.37Å; Y334-L368 HydrophobicContact CE2-CB 3.96Å; Y334-L368 HydrophobicContact CE2-CD1 4.01Å; Y334-L368 HydrophobicContact CE2-CG 4.44Å; A364-L368 PolarHBondContact O-N 2.76Å; A365-L368 PolarHBondContact O-N 2.96Å; L368-Q370 PolarHBondContact O-N 2.8Å; L368-C371 VanDerWaalsContact O-CB 3.3Å; L368-C371 WeakPolarHBondContact O-CB 3.23Å; L368-C371 PolarHBondContact O-N 2.9Å; L368-C371 VanDerWaalsContact O-N 3.15Å; L368-F376 HydrophobicContact CD2-CE1 4.5Å; L368-F376 HydrophobicContact CD2-CZ 4.15Å
369	L	94.7	Very high	96.3	Very high	75 Å²	75	55.1 Å²	55.1	39%	0.393	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-6.1	173.8	-70.8	170	0	0	0	113.7	T340 A365 E366	T340-L369 HydrophobicContact CG2-CD1 3.92Å; A365-L369 WeakPolarHBondContact O-CG 3.39Å; A365-L369 PolarHBondContact O-N 3.12Å; E366-L369 PolarHBondContact O-N 3Å
370	Q	94.4	Very high	96.4	Very high	149 Å²	149	49.4 Å²	49.4	70%	0.696	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-7.6	171.7	-70.2	164.8	51.2	0	0	113	E366 K367 L368	E366-Q370 VanDerWaalsContact O-CG 3.31Å; E366-Q370 WeakPolarHBondContact O-CG 3.47Å; E366-Q370 PolarHBondContact O-N 2.89Å; E366-Q370 PolarHBondContact O-NE2 2.8Å; K367-Q370 WeakPolarHBondContact O-CB 3.29Å; K367-Q370 PolarHBondContact O-N 2.8Å; L368-Q370 PolarHBondContact O-N 2.8Å
371	C	95.7	Very high	96.3	Very high	17 Å²	17	51.1 Å²	51.1	12%	0.115	26%	0.264	C	S	.	.	S	Bend	trans	-64	147.6	171.4	-66.5	0	0	0	0	111.2	H319 L368 F376	H319-C371 PolarHBondContact NE2-SG 3.16Å; L368-C371 VanDerWaalsContact O-CB 3.3Å; L368-C371 WeakPolarHBondContact O-CB 3.23Å; L368-C371 PolarHBondContact O-N 2.9Å; L368-C371 VanDerWaalsContact O-N 3.15Å; C371-F376 HydrophobicContact CB-CE2 3.51Å; C371-F376 HydrophobicContact CB-CZ 3.72Å
372	T	95.3	Very high	96.3	Very high	74 Å²	74	54 Å²	54	45%	0.454	28%	0.277	S	S	.	.			trans	-82.6	147.1	165.3	50.8	0	0	0	0	110.3	D374 Q375	T372-D374 WeakPolarHBondContact CB-OD1 3.46Å; T372-D374 PolarHBondContact O-N 2.69Å; T372-D374 VanDerWaalsContact O-N 3.13Å; T372-D374 PolarHBondContact OG1-OD1 3.07Å; T372-Q375 WeakPolarHBondContact O-CB 3.42Å; T372-Q375 WeakPolarHBondContact O-CG 3.36Å; T372-Q375 PolarHBondContact O-N 3.05Å; T372-Q375 PolarHBondContact OG1-NE2 2.85Å; T372-Q375 VanDerWaalsContact OG1-NE2 3.13Å
373	N	93.1	Very high	96.1	Very high	116 Å²	116	60.2 Å²	60.2	62%	0.62	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-59.5	-27.4	-174.7	-69.3	7.3	0	0	0	113.2	Q375 F376 I379	N373-Q375 PolarHBondContact O-N 2.83Å; N373-Q375 VanDerWaalsContact O-N 3.13Å; N373-F376 PolarHBondContact O-N 3.02Å; N373-F376 VanDerWaalsContact O-N 3.11Å; N373-I379 HydrophobicContact CB-CD1 3.94Å
374	D	93.5	Very high	96.1	Very high	103 Å²	103	61.8 Å²	61.8	55%	0.551	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-70.2	-1.6	178	79.2	-63.9	0	0	0	114.8	K100 T372	K100-D374 IonicContact NZ-OD2 3.46Å; T372-D374 WeakPolarHBondContact CB-OD1 3.46Å; T372-D374 PolarHBondContact O-N 2.69Å; T372-D374 VanDerWaalsContact O-N 3.13Å; T372-D374 PolarHBondContact OG1-OD1 3.07Å
375	Q	94.1	Very high	96.1	Very high	73 Å²	73	65.4 Å²	65.4	34%	0.341	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-90.3	-3.5	171.8	-56.8	-176.3	14.7	0	0	112.8	P320 T372 N373	P320-Q375 HydrophobicContact CB-CB 4.11Å; P320-Q375 VanDerWaalsContact CB-O 3.28Å; P320-Q375 WeakPolarHBondContact CB-O 3.31Å; P320-Q375 HydrophobicContact CG-CB 3.83Å; T372-Q375 WeakPolarHBondContact O-CB 3.42Å; T372-Q375 WeakPolarHBondContact O-CG 3.36Å; T372-Q375 PolarHBondContact O-N 3.05Å; T372-Q375 PolarHBondContact OG1-NE2 2.85Å; T372-Q375 VanDerWaalsContact OG1-NE2 3.13Å; N373-Q375 PolarHBondContact O-N 2.83Å; N373-Q375 VanDerWaalsContact O-N 3.13Å
376	F	97.2	Very high	96.1	Very high	20 Å²	20	69.5 Å²	69.5	9%	0.088	36%	0.357	C	S	.	.			trans	-125.9	148.3	179.2	-54.9	-64.1	0	0	0	110.2	P320 T332 Y334 L368 C371 N373 I379	P320-F376 HydrophobicContact CB-CD1 4.37Å; P320-F376 HydrophobicContact CB-CE1 4.1Å; P320-F376 HydrophobicContact CG-CD1 4.28Å; P320-F376 HydrophobicContact CG-CE1 3.63Å; P320-F376 HydrophobicContact CG-CZ 3.97Å; T332-F376 HydrophobicContact CG2-CD1 3.99Å; Y334-F376 AromaticContact CD1-CD2 3.9Å; Y334-F376 HydrophobicContact CD1-CD2 3.9Å; Y334-F376 HydrophobicContact CD1-CE1 4.4Å; Y334-F376 AromaticContact CD1-CE2 3.49Å; Y334-F376 HydrophobicContact CD1-CE2 3.49Å; Y334-F376 VanDerWaalsContact CD1-CE2 3.49Å; Y334-F376 HydrophobicContact CD1-CG 4.5Å; Y334-F376 AromaticContact CD1-CZ 3.76Å; Y334-F376 HydrophobicContact CD1-CZ 3.76Å; Y334-F376 HydrophobicContact CD2-CZ 4.41Å; Y334-F376 HydrophobicContact CE1-CE2 4.12Å; Y334-F376 HydrophobicContact CE1-CZ 4.37Å; Y334-F376 HydrophobicContact CG-CD1 4.38Å; Y334-F376 HydrophobicContact CG-CD2 4.3Å; Y334-F376 HydrophobicContact CG-CE1 4.03Å; Y334-F376 AromaticContact CG-CE2 3.96Å; Y334-F376 HydrophobicContact CG-CE2 3.96Å; Y334-F376 HydrophobicContact CG-CG 4.48Å; Y334-F376 AromaticContact CG-CZ 3.8Å; Y334-F376 HydrophobicContact CG-CZ 3.8Å; L368-F376 HydrophobicContact CD2-CE1 4.5Å; L368-F376 HydrophobicContact CD2-CZ 4.15Å; C371-F376 HydrophobicContact CB-CE2 3.51Å; C371-F376 HydrophobicContact CB-CZ 3.72Å; N373-F376 PolarHBondContact O-N 3.02Å; N373-F376 VanDerWaalsContact O-N 3.11Å; F376-I379 HydrophobicContact CB-CD1 4.4Å; F376-I379 HydrophobicContact CB-CG1 3.94Å; F376-I379 HydrophobicContact CD2-CD1 4.09Å; F376-I379 HydrophobicContact CD2-CG1 4.21Å; F376-I379 HydrophobicContact CG-CG1 4.39Å
377	D	97.4	Very high	96.2	Very high	50 Å²	50	69.5 Å²	69.5	27%	0.267	36%	0.36	S	S	.	.	S	Bend	trans	-90.3	-31.6	174.5	-69.6	-92.1	0	0	0	111.7	R221 I331 T332 Y395	R221-D377 IonicContact CZ-OD1 2.96Å; R221-D377 IonicContact CZ-OD2 3.65Å; R221-D377 IonicContact NH1-OD1 2.71Å; R221-D377 PolarHBondContact NH1-OD1 2.76Å; R221-D377 IonicContact NH2-OD1 3.48Å; R221-D377 PolarHBondContact NH2-OD1 2.91Å; R221-D377 IonicContact NH2-OD2 2.66Å; R221-D377 PolarHBondContact NH2-OD2 2.87Å; I331-D377 WeakPolarHBondContact CA-OD2 3.46Å; I331-D377 HydrophobicContact CG2-CB 3.95Å; T332-D377 PolarHBondContact N-OD2 2.77Å; T332-D377 PolarHBondContact O-N 2.86Å; D377-Y395 WeakPolarHBondContact O-CE2 3.23Å
378	V	98.1	Very high	96.3	Very high	6 Å²	6	66.7 Å²	66.7	4%	0.036	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	138.4	179.4	-173.4	0	0	0	0	108.4	T332 V333 Y334 L380 Y395	T332-V378 PolarHBondContact O-N 2.99Å; V333-V378 WeakPolarHBondContact CA-O 3.34Å; V333-V378 HydrophobicContact CB-CB 4.48Å; V333-V378 HydrophobicContact CG1-CB 4.21Å; V333-V378 HydrophobicContact CG1-CG1 4.39Å; V333-V378 HydrophobicContact CG2-CB 4.23Å; V333-V378 HydrophobicContact CG2-CG2 4.38Å; Y334-V378 PolarHBondContact N-O 2.92Å; V378-L380 HydrophobicContact CG1-CD2 3.7Å; V378-L380 HydrophobicContact CG1-CG 4.19Å; V378-Y395 HydrophobicContact CG2-CD1 3.48Å; V378-Y395 VanDerWaalsContact CG2-CD1 3.48Å; V378-Y395 HydrophobicContact CG2-CD2 3.6Å; V378-Y395 HydrophobicContact CG2-CE1 3.78Å; V378-Y395 HydrophobicContact CG2-CE2 3.86Å; V378-Y395 HydrophobicContact CG2-CG 3.4Å; V378-Y395 VanDerWaalsContact CG2-CG 3.4Å
379	I	98.1	Very high	96.3	Very high	34 Å²	34	66.8 Å²	66.8	17%	0.174	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	110.6	174.2	-57.7	177.6	0	0	0	107.9	Y334 K336 N373 F376 H391	Y334-I379 HydrophobicContact CD1-CG1 4.48Å; Y334-I379 HydrophobicContact CD1-CG2 4.05Å; Y334-I379 WeakPolarHBondContact O-CA 3.49Å; K336-I379 HydrophobicContact CB-CG2 4Å; K336-I379 HydrophobicContact CD-CG2 3.56Å; K336-I379 HydrophobicContact CG-CG2 4.45Å; N373-I379 HydrophobicContact CB-CD1 3.94Å; F376-I379 HydrophobicContact CB-CD1 4.4Å; F376-I379 HydrophobicContact CB-CG1 3.94Å; F376-I379 HydrophobicContact CD2-CD1 4.09Å; F376-I379 HydrophobicContact CD2-CG1 4.21Å; F376-I379 HydrophobicContact CG-CG1 4.39Å; I379-H391 PolarHBondContact O-CE1 3.03Å; I379-H391 VanDerWaalsContact O-CE1 3.26Å
380	L	98.1	Very high	96.5	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	106.3	178.4	-55.5	178.8	0	0	0	108.5	L243 V333 Y334 L335 K336 V378 E382 A388 H391 L392	L243-L380 HydrophobicContact CD1-CD1 4.03Å; L243-L380 HydrophobicContact CD2-CD1 4.46Å; V333-L380 HydrophobicContact CG1-CD1 3.72Å; V333-L380 HydrophobicContact CG1-CG 3.99Å; Y334-L380 PolarHBondContact O-N 3.14Å; L335-L380 HydrophobicContact CD1-CB 4.13Å; K336-L380 WeakPolarHBondContact CB-O 3.38Å; K336-L380 PolarHBondContact N-O 3.41Å; V378-L380 HydrophobicContact CG1-CD2 3.7Å; V378-L380 HydrophobicContact CG1-CG 4.19Å; L380-E382 VanDerWaalsContact C-OE2 3.29Å; L380-E382 WeakPolarHBondContact CA-OE2 3.47Å; L380-E382 WeakPolarHBondContact CB-OE2 3.49Å; L380-A388 HydrophobicContact CB-CB 4.39Å; L380-A388 HydrophobicContact CD1-CB 4.49Å; L380-A388 WeakPolarHBondContact CD2-O 3.33Å; L380-H391 HydrophobicContact CD2-CB 4.11Å; L380-L392 HydrophobicContact CD1-CB 4.22Å; L380-L392 HydrophobicContact CD1-CD2 4.25Å; L380-L392 HydrophobicContact CD2-CB 4.21Å
381	E	96.3	Very high	96.7	Very high	106 Å²	106	63.6 Å²	63.6	50%	0.495	33%	0.332	S	S	.	.			trans	-117.1	10.4	178.9	68.4	175.6	-168.1	0	0	114.2	K336	K336-E381 HydrophobicContact CB-CB 4.26Å; K336-E381 HydrophobicContact CD-CB 4.11Å; K336-E381 VanDerWaalsContact CE-OE2 3.27Å; K336-E381 WeakPolarHBondContact CE-OE2 3.25Å; K336-E381 HydrophobicContact CG-CB 4.36Å; K336-E381 IonicContact NZ-OE2 3.47Å; K336-E381 PolarHBondContact NZ-OE2 3.49Å
382	E	97.3	Very high	96.8	Very high	59 Å²	59	62.8 Å²	62.8	28%	0.276	33%	0.327	S	S	.	.			trans	-70.5	146.9	178.7	-48.7	69.5	-151.4	0	0	110.5	L380 D387 A388 H391	L380-E382 VanDerWaalsContact C-OE2 3.29Å; L380-E382 WeakPolarHBondContact CA-OE2 3.47Å; L380-E382 WeakPolarHBondContact CB-OE2 3.49Å; E382-D387 HydrophobicContact CB-CB 3.83Å; E382-D387 HydrophobicContact CG-CB 3.96Å; E382-A388 HydrophobicContact CB-CB 4.15Å; E382-A388 WeakPolarHBondContact OE2-CA 3.4Å; E382-A388 WeakPolarHBondContact OE2-CB 3.28Å; E382-H391 IonicContact OE1-CE1 3.9Å; E382-H391 IonicContact OE1-CG 2.91Å; E382-H391 IonicContact OE1-ND1 2.69Å; E382-H391 PolarHBondContact OE1-ND1 2.72Å
383	N	94.4	Very high	97	Very high	141 Å²	141	59.2 Å²	59.2	75%	0.754	31%	0.305	S	S	*	.	S	Bend	trans	-96.7	-7.1	-176.7	69.1	32.6	0	0	0	114.1
384	Q	96.6	Very high	97.2	Very high	106 Å²	106	59.7 Å²	59.7	50%	0.495	30%	0.303	S	S	.	.	S	Bend	trans	-108.7	143.5	171.3	-53	-53.8	-51	0	0	110.3	D387 A388	Q384-D387 HydrophobicContact CB-CB 4.47Å; Q384-A388 PolarHBondContact O-N 2.96Å
385	L	96.2	Very high	97.5	Very high	88 Å²	88	58.1 Å²	58.1	46%	0.461	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-42.5	177.5	179.6	65.7	0	0	0	113.2	A242 L243 D387 C389	A242-L385 HydrophobicContact CB-CD1 3.94Å; A242-L385 HydrophobicContact CB-CD2 3.95Å; L243-L385 HydrophobicContact CD2-CD1 4.1Å; L385-D387 PolarHBondContact O-N 3.46Å; L385-C389 VanDerWaalsContact O-CB 3.23Å; L385-C389 WeakPolarHBondContact O-CB 3.4Å; L385-C389 PolarHBondContact O-N 2.67Å; L385-C389 PolarHBondContact O-SG 3.49Å
386	P	97.9	Very high	97.6	Very high	90 Å²	90	54.7 Å²	54.7	58%	0.584	27%	0.274	S	S	*	.	H	α-helix	trans	-58.1	-44.7	177.4	-26.5	37.1	0	0	0	113.3	C389 E390	P386-C389 WeakPolarHBondContact O-CB 3.43Å; P386-C389 PolarHBondContact O-N 2.69Å; P386-E390 PolarHBondContact O-N 3.26Å
387	D	98.2	Very high	97.6	Very high	85 Å²	85	55.5 Å²	55.5	46%	0.455	28%	0.278	S	S	.	.	H	α-helix	trans	-63.5	-47.5	-177.1	-49.6	-3.5	0	0	0	111.3	E382 Q384 L385 C389 E390 H391	E382-D387 HydrophobicContact CB-CB 3.83Å; E382-D387 HydrophobicContact CG-CB 3.96Å; Q384-D387 HydrophobicContact CB-CB 4.47Å; L385-D387 PolarHBondContact O-N 3.46Å; D387-C389 VanDerWaalsContact C-N 3.3Å; D387-C389 PolarHBondContact O-N 2.74Å; D387-E390 PolarHBondContact O-N 2.65Å; D387-H391 PolarHBondContact O-N 3.36Å; D387-H391 VanDerWaalsContact O-N 3.08Å
388	A	98.2	Very high	97.6	Very high	5 Å²	5	54.6 Å²	54.6	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-34.8	174.8	0	0	0	0	0	112.6	L380 E382 Q384 L392	L380-A388 HydrophobicContact CB-CB 4.39Å; L380-A388 HydrophobicContact CD1-CB 4.49Å; L380-A388 WeakPolarHBondContact CD2-O 3.33Å; E382-A388 HydrophobicContact CB-CB 4.15Å; E382-A388 WeakPolarHBondContact OE2-CA 3.4Å; E382-A388 WeakPolarHBondContact OE2-CB 3.28Å; Q384-A388 PolarHBondContact O-N 2.96Å; A388-L392 WeakPolarHBondContact O-CB 3.24Å; A388-L392 PolarHBondContact O-N 2.96Å
389	C	98.3	Very high	97.5	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.034	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-43.2	175.7	-79.3	0	0	0	0	112.1	F246 L385 P386 D387 L392 A393	F246-C389 HydrophobicContact CD1-CB 3.66Å; F246-C389 HydrophobicContact CD2-CB 3.79Å; F246-C389 HydrophobicContact CE1-CB 3.61Å; F246-C389 WeakPolarHBondContact CE1-O 3.39Å; F246-C389 HydrophobicContact CE2-CB 3.73Å; F246-C389 HydrophobicContact CG-CB 3.73Å; F246-C389 WeakPolarHBondContact CG-SG 3.37Å; F246-C389 HydrophobicContact CZ-CB 3.63Å; F246-C389 WeakPolarHBondContact CZ-O 3.4Å; L385-C389 VanDerWaalsContact O-CB 3.23Å; L385-C389 WeakPolarHBondContact O-CB 3.4Å; L385-C389 PolarHBondContact O-N 2.67Å; L385-C389 PolarHBondContact O-SG 3.49Å; P386-C389 WeakPolarHBondContact O-CB 3.43Å; P386-C389 PolarHBondContact O-N 2.69Å; D387-C389 VanDerWaalsContact C-N 3.3Å; D387-C389 PolarHBondContact O-N 2.74Å; C389-L392 PolarHBondContact O-N 3.46Å; C389-A393 WeakPolarHBondContact O-CB 3.44Å; C389-A393 PolarHBondContact O-N 3.17Å
390	E	98.3	Very high	97.4	Very high	89 Å²	89	56 Å²	56	42%	0.416	28%	0.281	S	S	.	.	H	α-helix	trans	-70.7	-43.4	-179.4	-158.7	60.8	-149.8	0	0	111.3	P386 D387 L392 A393 E394	P386-E390 PolarHBondContact O-N 3.26Å; D387-E390 PolarHBondContact O-N 2.65Å; E390-L392 VanDerWaalsContact C-N 3.29Å; E390-L392 PolarHBondContact O-N 3.01Å; E390-A393 CarbonylContact O-C 3.5Å; E390-A393 WeakPolarHBondContact O-CA 3.31Å; E390-A393 WeakPolarHBondContact O-CB 3.37Å; E390-A393 PolarHBondContact O-N 2.88Å; E390-E394 WeakPolarHBondContact O-CG 3.33Å; E390-E394 PolarHBondContact O-N 3.15Å
391	H	98.6	Very high	97.3	Very high	68 Å²	68	62.2 Å²	62.2	32%	0.315	30%	0.304	S	S	.	.	H	α-helix	trans	-54.2	-44.8	171.9	177.9	-172.9	0	0	0	111.6	I379 L380 E382 D387 A393 Y395	I379-H391 PolarHBondContact O-CE1 3.03Å; I379-H391 VanDerWaalsContact O-CE1 3.26Å; L380-H391 HydrophobicContact CD2-CB 4.11Å; E382-H391 IonicContact OE1-CE1 3.9Å; E382-H391 IonicContact OE1-CG 2.91Å; E382-H391 IonicContact OE1-ND1 2.69Å; E382-H391 PolarHBondContact OE1-ND1 2.72Å; D387-H391 PolarHBondContact O-N 3.36Å; D387-H391 VanDerWaalsContact O-N 3.08Å; H391-A393 PolarHBondContact O-N 2.86Å; H391-Y395 PolarHBondContact O-N 3.27Å
392	L	98.4	Very high	97.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.9	-35.5	175.2	-176.4	57.9	0	0	0	112.7	L247 V333 L380 A388 C389 E390 L396	L247-L392 HydrophobicContact CD1-CD2 4.11Å; L247-L392 HydrophobicContact CD2-CD2 4.08Å; L247-L392 HydrophobicContact CD2-CG 4.26Å; L247-L392 HydrophobicContact CG-CD2 4.28Å; V333-L392 HydrophobicContact CG1-CD1 4.01Å; V333-L392 HydrophobicContact CG2-CD1 3.77Å; L380-L392 HydrophobicContact CD1-CB 4.22Å; L380-L392 HydrophobicContact CD1-CD2 4.25Å; L380-L392 HydrophobicContact CD2-CB 4.21Å; A388-L392 WeakPolarHBondContact O-CB 3.24Å; A388-L392 PolarHBondContact O-N 2.96Å; C389-L392 PolarHBondContact O-N 3.46Å; E390-L392 VanDerWaalsContact C-N 3.29Å; E390-L392 PolarHBondContact O-N 3.01Å; L392-L396 HydrophobicContact CD1-CD1 4.05Å; L392-L396 HydrophobicContact CD1-CG 4.33Å; L392-L396 HydrophobicContact CG-CD1 4.09Å; L392-L396 WeakPolarHBondContact O-CB 3.28Å; L392-L396 VanDerWaalsContact O-CG 3.27Å; L392-L396 WeakPolarHBondContact O-CG 3.49Å; L392-L396 PolarHBondContact O-N 2.91Å; L392-L396 VanDerWaalsContact O-N 3.16Å
393	A	98.3	Very high	97	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-71.6	-42.8	177.6	0	0	0	0	0	112.6	F246 R250 F251 C389 E390 H391 Y395 L396 E397	F246-A393 HydrophobicContact CE1-CB 4.02Å; F246-A393 HydrophobicContact CZ-CB 3.9Å; R250-A393 HydrophobicContact CG-CB 4.09Å; F251-A393 HydrophobicContact CE2-CB 4.17Å; F251-A393 HydrophobicContact CZ-CB 4.16Å; C389-A393 WeakPolarHBondContact O-CB 3.44Å; C389-A393 PolarHBondContact O-N 3.17Å; E390-A393 CarbonylContact O-C 3.5Å; E390-A393 WeakPolarHBondContact O-CA 3.31Å; E390-A393 WeakPolarHBondContact O-CB 3.37Å; E390-A393 PolarHBondContact O-N 2.88Å; H391-A393 PolarHBondContact O-N 2.86Å; A393-Y395 VanDerWaalsContact C-N 3.35Å; A393-Y395 PolarHBondContact O-N 3.43Å; A393-L396 PolarHBondContact O-N 3.27Å; A393-E397 WeakPolarHBondContact O-CB 3.45Å; A393-E397 VanDerWaalsContact O-CG 3.32Å; A393-E397 WeakPolarHBondContact O-CG 3.33Å; A393-E397 PolarHBondContact O-N 3.42Å
394	E	98.1	Very high	96.9	Very high	126 Å²	126	50.5 Å²	50.5	59%	0.589	25%	0.246	S	C	*	.	H	α-helix	trans	-56.6	-48.3	175.3	-73.6	-176.2	165	0	0	111	E390 L396 E397 A398	E390-E394 WeakPolarHBondContact O-CG 3.33Å; E390-E394 PolarHBondContact O-N 3.15Å; E394-L396 PolarHBondContact O-N 2.92Å; E394-E397 PolarHBondContact O-N 3.48Å; E394-A398 WeakPolarHBondContact O-CB 3.4Å; E394-A398 PolarHBondContact O-N 3.49Å
395	Y	98.4	Very high	96.2	Very high	69 Å²	69	47.8 Å²	47.8	27%	0.271	24%	0.238	S	C	.	.	H	α-helix	trans	-60	-45.1	176.1	-176.4	-84.2	0	0	0	112	I331 D377 V378 H391 A393 A398 Y399	I331-Y395 HydrophobicContact CD1-CE1 4.33Å; I331-Y395 HydrophobicContact CG1-CE1 4.5Å; I331-Y395 HydrophobicContact CG2-CE1 3.82Å; D377-Y395 WeakPolarHBondContact O-CE2 3.23Å; V378-Y395 HydrophobicContact CG2-CD1 3.48Å; V378-Y395 VanDerWaalsContact CG2-CD1 3.48Å; V378-Y395 HydrophobicContact CG2-CD2 3.6Å; V378-Y395 HydrophobicContact CG2-CE1 3.78Å; V378-Y395 HydrophobicContact CG2-CE2 3.86Å; V378-Y395 HydrophobicContact CG2-CG 3.4Å; V378-Y395 VanDerWaalsContact CG2-CG 3.4Å; H391-Y395 PolarHBondContact O-N 3.27Å; A393-Y395 VanDerWaalsContact C-N 3.35Å; A393-Y395 PolarHBondContact O-N 3.43Å; Y395-A398 PolarHBondContact O-N 3.4Å; Y395-Y399 WeakPolarHBondContact O-CB 3.45Å; Y395-Y399 PolarHBondContact O-N 3.13Å
396	L	98.1	Very high	94.9	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-73	-28.8	-178	-69.5	174.5	0	0	0	113.2	V223 L247 F251 L309 I331 L392 A393 E394 W400	V223-L396 HydrophobicContact CG2-CD2 3.77Å; L247-L396 HydrophobicContact CD2-CD1 3.63Å; F251-L396 HydrophobicContact CE1-CB 4.15Å; F251-L396 HydrophobicContact CE2-CB 4.26Å; F251-L396 HydrophobicContact CE2-CD1 4.3Å; F251-L396 HydrophobicContact CZ-CB 3.66Å; L309-L396 HydrophobicContact CD1-CB 4.45Å; L309-L396 HydrophobicContact CD2-CD2 4.43Å; I331-L396 HydrophobicContact CD1-CD2 4.43Å; L392-L396 HydrophobicContact CD1-CD1 4.05Å; L392-L396 HydrophobicContact CD1-CG 4.33Å; L392-L396 HydrophobicContact CG-CD1 4.09Å; L392-L396 WeakPolarHBondContact O-CB 3.28Å; L392-L396 VanDerWaalsContact O-CG 3.27Å; L392-L396 WeakPolarHBondContact O-CG 3.49Å; L392-L396 PolarHBondContact O-N 2.91Å; L392-L396 VanDerWaalsContact O-N 3.16Å; A393-L396 PolarHBondContact O-N 3.27Å; E394-L396 PolarHBondContact O-N 2.92Å; L396-W400 VanDerWaalsContact O-CB 3.27Å; L396-W400 WeakPolarHBondContact O-CB 3.43Å; L396-W400 PolarHBondContact O-N 3.36Å
397	E	97.2	Very high	92.9	Very high	37 Å²	37	46.5 Å²	46.5	17%	0.173	24%	0.239	C	C	.	.	H	α-helix	trans	-74.9	-32.1	170.8	-66.5	-74.2	-155.9	0	0	112.2	R250 F251 R254 A393 E394 R401	R250-E397 IonicContact CZ-OE1 3.12Å; R250-E397 IonicContact NH1-OE1 3.99Å; R250-E397 PolarHBondContact NH1-OE1 3.32Å; R250-E397 IonicContact NH2-OE1 2.65Å; R250-E397 PolarHBondContact NH2-OE1 3.32Å; F251-E397 HydrophobicContact CE1-CG 3.78Å; F251-E397 HydrophobicContact CZ-CG 3.99Å; R254-E397 IonicContact CZ-OE1 3.8Å; R254-E397 IonicContact CZ-OE2 3.03Å; R254-E397 IonicContact NH1-OE1 3.68Å; R254-E397 IonicContact NH1-OE2 3.51Å; R254-E397 PolarHBondContact NH1-OE2 2.96Å; R254-E397 VanDerWaalsContact NH2-CD 3.33Å; R254-E397 IonicContact NH2-OE1 2.69Å; R254-E397 PolarHBondContact NH2-OE1 3.04Å; R254-E397 IonicContact NH2-OE2 2.67Å; R254-E397 PolarHBondContact NH2-OE2 2.65Å; R254-E397 VanDerWaalsContact NH2-OE2 3.14Å; A393-E397 WeakPolarHBondContact O-CB 3.45Å; A393-E397 VanDerWaalsContact O-CG 3.32Å; A393-E397 WeakPolarHBondContact O-CG 3.33Å; A393-E397 PolarHBondContact O-N 3.42Å; E394-E397 PolarHBondContact O-N 3.48Å; E397-R401 VanDerWaalsContact O-CG 3.32Å; E397-R401 WeakPolarHBondContact O-CG 3.32Å; E397-R401 PolarHBondContact O-N 3.11Å; E397-R401 PolarHBondContact O-NE 3.13Å
398	A	96.3	Very high	90.8	Very high	32 Å²	32	52.2 Å²	52.2	26%	0.264	26%	0.26	S	S	.	.	H	α-helix	trans	-66.9	-45.5	168.6	0	0	0	0	0	111.3	E121 E394 Y395 W400 R401 A402	E121-A398 WeakPolarHBondContact OE1-CA 3.43Å; E394-A398 WeakPolarHBondContact O-CB 3.4Å; E394-A398 PolarHBondContact O-N 3.49Å; Y395-A398 PolarHBondContact O-N 3.4Å; A398-W400 VanDerWaalsContact C-N 3.31Å; A398-W400 PolarHBondContact O-N 2.92Å; A398-R401 PolarHBondContact O-N 3.17Å; A398-A402 WeakPolarHBondContact O-CB 3.32Å; A398-A402 PolarHBondContact O-N 2.94Å
399	Y	97.2	Very high	88.5	Confident	23 Å²	23	54.3 Å²	54.3	9%	0.09	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-40.4	173.4	-179.6	-115.8	0	0	0	112.2	V119 M220 R221 L309 I331 Y395 A402 S403	V119-Y399 HydrophobicContact CG1-CE2 4.32Å; M220-Y399 HydrophobicContact CE-CD1 4.29Å; M220-Y399 HydrophobicContact CE-CE1 3.7Å; M220-Y399 HydrophobicContact SD-CE1 4.05Å; R221-Y399 PolarHBondContact N-OH 3.42Å; L309-Y399 HydrophobicContact CD2-CD1 4.02Å; L309-Y399 HydrophobicContact CD2-CE1 4.41Å; I331-Y399 HydrophobicContact CD1-CD1 3.49Å; I331-Y399 VanDerWaalsContact CD1-CD1 3.49Å; I331-Y399 HydrophobicContact CD1-CD2 4.16Å; I331-Y399 HydrophobicContact CD1-CE1 3.61Å; I331-Y399 HydrophobicContact CD1-CE2 4.29Å; I331-Y399 HydrophobicContact CD1-CG 3.8Å; Y395-Y399 WeakPolarHBondContact O-CB 3.45Å; Y395-Y399 PolarHBondContact O-N 3.13Å; Y399-A402 PolarHBondContact O-N 2.74Å; Y399-S403 PolarHBondContact O-N 3.44Å; Y399-S403 PolarHBondContact O-OG 2.82Å
400	W	96	Very high	86.2	Confident	47 Å²	47	57.6 Å²	57.6	18%	0.178	29%	0.291	C	S	.	.	H	α-helix	trans	-60.3	-45.4	174.9	-176.5	-89.6	0	0	0	112.4	M220 R254 L309 L396 A398 S403 H404	M220-W400 HydrophobicContact CE-CE3 4.14Å; M220-W400 HydrophobicContact CE-CZ3 4.31Å; R254-W400 HydrophobicContact CB-CH2 3.88Å; R254-W400 HydrophobicContact CB-CZ2 4.44Å; R254-W400 HydrophobicContact CB-CZ3 3.97Å; R254-W400 HydrophobicContact CG-CH2 3.92Å; R254-W400 HydrophobicContact CG-CZ2 4.04Å; R254-W400 HydrophobicContact CG-CZ3 4.45Å; L309-W400 HydrophobicContact CD1-CE3 4.42Å; L309-W400 HydrophobicContact CD2-CE3 4.22Å; L309-W400 HydrophobicContact CG-CE3 3.86Å; L309-W400 HydrophobicContact CG-CZ3 4.16Å; L396-W400 VanDerWaalsContact O-CB 3.27Å; L396-W400 WeakPolarHBondContact O-CB 3.43Å; L396-W400 PolarHBondContact O-N 3.36Å; A398-W400 VanDerWaalsContact C-N 3.31Å; A398-W400 PolarHBondContact O-N 2.92Å; W400-S403 PolarHBondContact O-N 3.17Å; W400-S403 PolarHBondContact O-OG 3.38Å; W400-H404 AromaticContact CD2-CE1 3.75Å; W400-H404 AromaticContact CD2-ND1 3.58Å; W400-H404 AromaticContact CE2-CE1 3.65Å; W400-H404 AromaticContact CE2-CG 3.97Å; W400-H404 AromaticContact CE2-ND1 3.52Å; W400-H404 AromaticContact CE3-CE1 3.69Å; W400-H404 AromaticContact CE3-ND1 3.95Å; W400-H404 AromaticContact CG-ND1 4Å; W400-H404 AromaticContact CH2-CE1 3.47Å; W400-H404 VanDerWaalsContact CH2-CE1 3.47Å; W400-H404 WeakPolarHBondContact CH2-CE1 3.22Å; W400-H404 AromaticContact CH2-NE2 3.72Å; W400-H404 AromaticContact CZ2-CE1 3.51Å; W400-H404 AromaticContact CZ2-ND1 3.83Å; W400-H404 AromaticContact CZ2-NE2 3.67Å; W400-H404 AromaticContact CZ3-CE1 3.57Å; W400-H404 AromaticContact NE1-ND1 3.89Å; W400-H404 WeakPolarHBondContact O-CB 3.24Å; W400-H404 PolarHBondContact O-N 3.02Å; W400-H404 PolarHBondContact O-ND1 3.44Å; W400-H404 VanDerWaalsContact O-ND1 3.08Å
401	R	95	Very high	84.1	Confident	129 Å²	129	61.1 Å²	61.1	49%	0.487	31%	0.305	S	S	.	.	H	α-helix	trans	-67.9	-36	176.3	-71.8	178.9	-64.5	125.8	4	112.3	E121 E397 A398 H404	E121-R401 HydrophobicContact CG-CB 4.08Å; E121-R401 IonicContact OE1-CZ 3.32Å; E121-R401 IonicContact OE1-NE 2.68Å; E121-R401 IonicContact OE1-NH1 3.37Å; E121-R401 PolarHBondContact OE1-NH1 3.21Å; E121-R401 IonicContact OE1-NH2 3.14Å; E121-R401 PolarHBondContact OE1-NH2 3.41Å; E121-R401 IonicContact OE2-CZ 2.65Å; E121-R401 IonicContact OE2-NH1 2.6Å; E121-R401 PolarHBondContact OE2-NH1 3.36Å; E121-R401 IonicContact OE2-NH2 2.82Å; E397-R401 VanDerWaalsContact O-CG 3.32Å; E397-R401 WeakPolarHBondContact O-CG 3.32Å; E397-R401 PolarHBondContact O-N 3.11Å; E397-R401 PolarHBondContact O-NE 3.13Å; A398-R401 PolarHBondContact O-N 3.17Å; R401-H404 CarbonylContact O-C 3.56Å
402	A	94.8	Very high	81.8	Confident	10 Å²	10	60.5 Å²	60.5	8%	0.083	31%	0.312	C	S	.	.	H	α-helix	trans	-66.4	-33	174.4	0	0	0	0	0	113.2	R117 V119 E121 A398 Y399	R117-A402 PolarHBondContact NH1-O 3.08Å; V119-A402 HydrophobicContact CG1-CB 4.47Å; E121-A402 HydrophobicContact CG-CB 4.22Å; A398-A402 WeakPolarHBondContact O-CB 3.32Å; A398-A402 PolarHBondContact O-N 2.94Å; Y399-A402 PolarHBondContact O-N 2.74Å
403	S	93.3	Very high	79.8	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.007	32%	0.322	C	S	.	.	H	α-helix	trans	-90.3	-24.5	178.3	69.2	0	0	0	0	114.5	H104 M220 Y399 W400 P405	H104-S403 PolarHBondContact CE1-O 2.98Å; M220-S403 VanDerWaalsContact SD-CB 3.51Å; M220-S403 PolarHBondContact SD-OG 2.85Å; Y399-S403 PolarHBondContact O-N 3.44Å; Y399-S403 PolarHBondContact O-OG 2.82Å; W400-S403 PolarHBondContact O-N 3.17Å; W400-S403 PolarHBondContact O-OG 3.38Å; S403-P405 VanDerWaalsContact C-CD 3.5Å; S403-P405 WeakPolarHBondContact O-CD 3.44Å
404	H	91.5	Very high	77.7	Confident	49 Å²	49	69.7 Å²	69.7	23%	0.227	35%	0.349	C	S	.	.	S	Bend	trans	-111.3	78.5	176.6	-63	82.3	0	0	0	110.9	Q307 W400 R401 T406	Q307-H404 PolarHBondContact O-CE1 3.5Å; Q307-H404 PolarHBondContact O-NE2 3.07Å; W400-H404 AromaticContact CD2-CE1 3.75Å; W400-H404 AromaticContact CD2-ND1 3.58Å; W400-H404 AromaticContact CE2-CE1 3.65Å; W400-H404 AromaticContact CE2-CG 3.97Å; W400-H404 AromaticContact CE2-ND1 3.52Å; W400-H404 AromaticContact CE3-CE1 3.69Å; W400-H404 AromaticContact CE3-ND1 3.95Å; W400-H404 AromaticContact CG-ND1 4Å; W400-H404 AromaticContact CH2-CE1 3.47Å; W400-H404 VanDerWaalsContact CH2-CE1 3.47Å; W400-H404 WeakPolarHBondContact CH2-CE1 3.22Å; W400-H404 AromaticContact CH2-NE2 3.72Å; W400-H404 AromaticContact CZ2-CE1 3.51Å; W400-H404 AromaticContact CZ2-ND1 3.83Å; W400-H404 AromaticContact CZ2-NE2 3.67Å; W400-H404 AromaticContact CZ3-CE1 3.57Å; W400-H404 AromaticContact NE1-ND1 3.89Å; W400-H404 WeakPolarHBondContact O-CB 3.24Å; W400-H404 PolarHBondContact O-N 3.02Å; W400-H404 PolarHBondContact O-ND1 3.44Å; W400-H404 VanDerWaalsContact O-ND1 3.08Å; R401-H404 CarbonylContact O-C 3.56Å; H404-T406 PolarHBondContact O-N 2.81Å
405	P	81.9	Confident	75.8	Confident	50 Å²	50	69.7 Å²	69.7	33%	0.325	35%	0.352	S	S	.	.			trans	-60.1	110.5	178.5	26	-35.1	0	0	0	110.4	S403 G407	S403-P405 VanDerWaalsContact C-CD 3.5Å; S403-P405 WeakPolarHBondContact O-CD 3.44Å; P405-G407 PolarHBondContact O-N 2.9Å
406	T	69.2	Low	74	Confident	120 Å²	120	72.3 Å²	72.3	74%	0.736	37%	0.369	S	S	*	.			trans	-74	83.5	164.3	52.8	0	0	0	0	108	H404	H404-T406 PolarHBondContact O-N 2.81Å
407	G	55.5	Low	71.6	Confident	31 Å²	31	75.6 Å²	75.6	32%	0.32	40%	0.404	S	S	.	.			trans	-52.9	153.2	166.7	0	0	0	0	0	110.2	P405 V409	P405-G407 PolarHBondContact O-N 2.9Å; G407-V409 PolarHBondContact O-N 3.23Å
408	K	53.4	Low	69.3	Low	205 Å²	205	79.8 Å²	79.8	89%	0.891	43%	0.426	S	S	*	.	S	Bend	trans	-53.7	-21.7	-178.8	-61.6	172.2	-175.8	171.2	0	112.9	T410	K408-T410 PolarHBondContact O-N 2.88Å
409	V	51.1	Low	66.9	Low	48 Å²	48	81 Å²	81	29%	0.291	44%	0.442	S	S	.	.			trans	-51.9	107.9	168.7	-165.3	0	0	0	0	112.5	G407 E413 R414	G407-V409 PolarHBondContact O-N 3.23Å; V409-E413 HydrophobicContact CG1-CB 3.42Å; V409-E413 VanDerWaalsContact CG1-CB 3.42Å; V409-R414 HydrophobicContact CB-CG 4.36Å; V409-R414 HydrophobicContact CG1-CB 4.4Å; V409-R414 HydrophobicContact CG1-CG 3.75Å; V409-R414 PolarHBondContact O-NE 3.4Å
410	T	50.5	Low	64.3	Low	74 Å²	74	85.3 Å²	85.3	45%	0.454	47%	0.471	S	S	.	.			trans	-58.4	168.2	176.1	63.6	0	0	0	0	112.5	K408 A412 E413 R414	K408-T410 PolarHBondContact O-N 2.88Å; T410-A412 PolarHBondContact O-N 3.1Å; T410-A412 PolarHBondContact OG1-N 3.24Å; T410-E413 WeakPolarHBondContact CB-OE2 3.33Å; T410-E413 VanDerWaalsContact CG2-OE2 3.24Å; T410-E413 WeakPolarHBondContact CG2-OE2 3.47Å; T410-E413 PolarHBondContact N-OE2 2.62Å; T410-E413 PolarHBondContact O-N 2.6Å; T410-E413 WeakPolarHBondContact OG1-CG 3.42Å; T410-E413 PolarHBondContact OG1-N 3.43Å; T410-E413 PolarHBondContact OG1-OE2 3.24Å; T410-R414 PolarHBondContact O-N 3.18Å
411	K	52.9	Low	61.4	Low	163 Å²	163	87 Å²	87	71%	0.709	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.9	173.3	-172	176.4	178	-177.5	0	112.3	I415	K411-I415 HydrophobicContact CG-CD1 4.18Å; K411-I415 WeakPolarHBondContact O-CD1 3.42Å; K411-I415 VanDerWaalsContact O-CG1 3.31Å; K411-I415 WeakPolarHBondContact O-CG1 3.48Å
412	A	51.2	Low	58.7	Low	55 Å²	55	85.2 Å²	85.2	46%	0.455	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-52.4	176.4	0	0	0	0	0	111.3	T410 R414 I415 L416	T410-A412 PolarHBondContact O-N 3.1Å; T410-A412 PolarHBondContact OG1-N 3.24Å; A412-R414 VanDerWaalsContact C-N 3.28Å; A412-R414 PolarHBondContact O-N 3.39Å; A412-I415 PolarHBondContact O-N 3.26Å; A412-L416 WeakPolarHBondContact O-CB 3.33Å; A412-L416 WeakPolarHBondContact O-CG 3.42Å; A412-L416 PolarHBondContact O-N 2.86Å
413	E	55.5	Low	56.1	Low	44 Å²	44	90.1 Å²	90.1	21%	0.206	55%	0.549	C	S	.	.	H	α-helix	trans	-61.9	-35.4	179.4	-63.7	160.5	97	0	0	111.9	V409 T410 I415 L416 G417 I418	V409-E413 HydrophobicContact CG1-CB 3.42Å; V409-E413 VanDerWaalsContact CG1-CB 3.42Å; T410-E413 WeakPolarHBondContact CB-OE2 3.33Å; T410-E413 VanDerWaalsContact CG2-OE2 3.24Å; T410-E413 WeakPolarHBondContact CG2-OE2 3.47Å; T410-E413 PolarHBondContact N-OE2 2.62Å; T410-E413 PolarHBondContact O-N 2.6Å; T410-E413 WeakPolarHBondContact OG1-CG 3.42Å; T410-E413 PolarHBondContact OG1-N 3.43Å; T410-E413 PolarHBondContact OG1-OE2 3.24Å; E413-I415 PolarHBondContact O-N 2.7Å; E413-L416 PolarHBondContact O-N 2.75Å; E413-G417 PolarHBondContact O-N 2.77Å; E413-I418 WeakPolarHBondContact CG-O 3.46Å
414	R	55	Low	53.4	Low	150 Å²	150	95.4 Å²	95.4	57%	0.566	59%	0.586	S	S	*	*	H	α-helix	trans	-65.3	-18	172.6	-94	-174.5	-77.2	170.2	-7.2	115	V409 T410 A412	V409-R414 HydrophobicContact CB-CG 4.36Å; V409-R414 HydrophobicContact CG1-CB 4.4Å; V409-R414 HydrophobicContact CG1-CG 3.75Å; V409-R414 PolarHBondContact O-NE 3.4Å; T410-R414 PolarHBondContact O-N 3.18Å; A412-R414 VanDerWaalsContact C-N 3.28Å; A412-R414 PolarHBondContact O-N 3.39Å
415	I	57.3	Low	50.9	Low	126 Å²	126	100.1 Å²	100.1	65%	0.646	61%	0.613	S	S	*	*	H	α-helix	trans	-100.7	-31.6	177.4	-68.3	170.8	0	0	0	111	K411 A412 E413	K411-I415 HydrophobicContact CG-CD1 4.18Å; K411-I415 WeakPolarHBondContact O-CD1 3.42Å; K411-I415 VanDerWaalsContact O-CG1 3.31Å; K411-I415 WeakPolarHBondContact O-CG1 3.48Å; A412-I415 PolarHBondContact O-N 3.26Å; E413-I415 PolarHBondContact O-N 2.7Å
416	L	60.5	Low	48.7	Very low	123 Å²	123	106.9 Å²	106.9	64%	0.644	64%	0.641	S	S	*	*	H	α-helix	trans	-100.3	-15.9	-172.6	-62.3	174.2	0	0	0	114.3	A412 E413 I418	A412-L416 WeakPolarHBondContact O-CB 3.33Å; A412-L416 WeakPolarHBondContact O-CG 3.42Å; A412-L416 PolarHBondContact O-N 2.86Å; E413-L416 PolarHBondContact O-N 2.75Å; L416-I418 PolarHBondContact O-N 3.39Å
417	G	47.9	Very low	47.2	Very low	71 Å²	71	106.5 Å²	106.5	73%	0.732	64%	0.642	S	S	*	*			trans	74.2	-2.4	177	0	0	0	0	0	115.7	E413 G419	E413-G417 PolarHBondContact O-N 2.77Å; G417-G419 PolarHBondContact O-N 3.26Å
418	I	49.3	Very low	46.5	Very low	124 Å²	124	111.3 Å²	111.3	64%	0.636	67%	0.666	S	S	*	*			trans	-90.9	94.2	-179.7	-55.1	165.8	0	0	0	108.6	E413 L416	E413-I418 WeakPolarHBondContact CG-O 3.46Å; L416-I418 PolarHBondContact O-N 3.39Å
419	G	45.3	Very low	45.5	Very low	59 Å²	59	110.6 Å²	110.6	61%	0.608	67%	0.666	S	S	*	*			trans	-88.3	124.1	170.9	0	0	0	0	0	111	G417 G421	G417-G419 PolarHBondContact O-N 3.26Å; G419-G421 PolarHBondContact O-N 3.26Å
420	T	42.9	Very low	45.1	Very low	113 Å²	113	116.1 Å²	116.1	69%	0.693	69%	0.694	S	S	*	*			trans	-83.6	105.7	175	49	0	0	0	0	110.5	A422	T420-A422 PolarHBondContact O-N 3.48Å; T420-A422 VanDerWaalsContact O-N 3.14Å
421	G	34.4	Very low	44.4	Very low	81 Å²	81	121.7 Å²	121.7	84%	0.835	72%	0.715	S	S	*	*			trans	-68.8	103.3	172.3	0	0	0	0	0	111.6	G419	G419-G421 PolarHBondContact O-N 3.26Å
422	A	39.6	Very low	43.9	Very low	92 Å²	92	123 Å²	123	76%	0.76	73%	0.726	S	S	*	*			trans	-110.1	88.1	173.8	0	0	0	0	0	110	T420 S424	T420-A422 PolarHBondContact O-N 3.48Å; T420-A422 VanDerWaalsContact O-N 3.14Å; A422-S424 PolarHBondContact O-N 2.9Å
423	S	39.7	Very low	43.3	Very low	113 Å²	113	124.7 Å²	124.7	79%	0.79	73%	0.734	S	S	*	*			trans	-66.2	116.6	-179.4	-55.2	0	0	0	0	111.7	N425	S423-N425 PolarHBondContact O-N 2.67Å
424	S	36.2	Very low	42.6	Very low	113 Å²	113	131.6 Å²	131.6	79%	0.79	77%	0.766	S	S	*	*			trans	-90.7	72.7	177.9	62.4	0	0	0	0	111.7	A422 Q426	A422-S424 PolarHBondContact O-N 2.9Å; S424-Q426 PolarHBondContact O-N 3.27Å
425	N	39.6	Very low	41.9	Very low	148 Å²	148	128.2 Å²	128.2	79%	0.791	78%	0.777	S	S	*	*			trans	-71.7	115.3	169.2	-78.3	6.2	0	0	0	109.7	S423 S427	S423-N425 PolarHBondContact O-N 2.67Å; N425-S427 PolarHBondContact O-N 2.96Å
426	Q	36.3	Very low	41.2	Very low	192 Å²	192	127.6 Å²	127.6	90%	0.897	78%	0.78	S	S	*	*			trans	-85.2	95.6	166	-69.4	-176.5	1.1	0	0	109	S424	S424-Q426 PolarHBondContact O-N 3.27Å
427	S	37.3	Very low	40.3	Very low	111 Å²	111	129.8 Å²	129.8	78%	0.776	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-86.6	117.6	165.2	53.9	0	0	0	0	109.3	N425	N425-S427 PolarHBondContact O-N 2.96Å
428	T	39.6	Very low	39.9	Very low	132 Å²	132	136.1 Å²	136.1	81%	0.81	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-64.2	143.5	-179.8	46.2	0	0	0	0	112.7
429	E	34.2	Very low	39.6	Very low	191 Å²	191	138.4 Å²	138.4	89%	0.893	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-64.4	139.1	174.3	-60.6	173	137	0	0	111.5
430	N	41.4	Very low	39.7	Very low	164 Å²	164	143.4 Å²	143.4	88%	0.877	80%	0.796	S	S	*	*			trans	-153.7	113.8	161.3	-113.9	-22.7	0	0	0	108.4
431	E	35.8	Very low	39.5	Very low	191 Å²	191	143 Å²	143	89%	0.893	80%	0.798	S	S	*	*			trans	-80.4	133.3	176.7	-60.8	-175.5	102.3	0	0	110.9
432	M	42.5	Very low	39.9	Very low	191 Å²	191	146.4 Å²	146.4	94%	0.941	80%	0.797	S	S	*	*			trans	-166.4	94	145.1	-109.9	169.6	-160.9	0	0	114.3
433	S	39.9	Very low	39.7	Very low	89 Å²	89	146.5 Å²	146.5	62%	0.622	80%	0.798	S	S	*	*			trans	40.7	145.8	141	-146.9	0	0	0	0	124.6
434	H	40.9	Very low	39.9	Very low	190 Å²	190	150.8 Å²	150.8	88%	0.88	80%	0.803	S	S	*	*			trans	77.4	142.3	161.5	-54.2	-62.4	0	0	0	119.7
435	G	39.4	Very low	40.1	Very low	78 Å²	78	154.4 Å²	154.4	80%	0.804	80%	0.804	S	S	*	*			trans	139.2	63.6	172.1	0	0	0	0	0	115.6
436	T	42.2	Very low	40.1	Very low	114 Å²	114	153.6 Å²	153.6	70%	0.699	80%	0.8	S	S	*	*			trans	-70.8	138.7	178.9	51.4	0	0	0	0	113.2
437	H	42.5	Very low	40.4	Very low	169 Å²	169	149.3 Å²	149.3	78%	0.782	78%	0.783	S	S	*	*				177.6	132.8	110.2	-85	-40.9	0	0	0	115.1
438	R	39.3	Very low	40.5	Very low	204 Å²	204	151.7 Å²	151.7	77%	0.77	78%	0.779	S	S	*	*				36.2	139.6	126.9	-107.8	-178.7	176.2	177.8	1.1	119.3
439	R	43.5	Very low	40.7	Very low	172 Å²	172	156.7 Å²	156.7	65%	0.649	78%	0.784	S	S	*	*			cis	-170	132.4	32.5	-167.1	167	-178.5	169.6	0.4	115.7
440	Q	45.8	Very low	41.1	Very low	163 Å²	163	157.8 Å²	157.8	76%	0.762	79%	0.785	S	S	*	*			trans	64.3	130.6	149.5	-71.1	174.4	-56.5	0	0	122.7
441	S	38.7	Very low	41.3	Very low	106 Å²	106	153.8 Å²	153.8	74%	0.741	78%	0.783	S	S	*	*			trans	-83.3	169.2	164.3	55.2	0	0	0	0	113.5
442	N	43.7	Very low	41.7	Very low	152 Å²	152	152 Å²	152	81%	0.813	77%	0.772	S	S	*	*			trans	-156.9	148	131.5	-101.3	-23.9	0	0	0	112.1
443	A	35.2	Very low	41.7	Very low	94 Å²	94	149 Å²	149	78%	0.777	76%	0.759	S	S	*	*			trans	-132.9	146.4	176.6	0	0	0	0	0	110.1
444	F	43.9	Very low	41.8	Very low	202 Å²	202	150.7 Å²	150.7	89%	0.886	76%	0.761	S	S	*	*			trans	-129	163.9	176.7	-92.8	-85.9	0	0	0	112.2
445	K	40.3	Very low	41.9	Very low	189 Å²	189	146.7 Å²	146.7	82%	0.822	75%	0.75	S	S	*	*			trans	-135.1	161.3	-158	-91.1	-174.8	176.9	178.7	0	113.2
446	N	39.4	Very low	41.8	Very low	131 Å²	131	149.7 Å²	149.7	70%	0.701	75%	0.747	S	S	*	*			trans	84.6	127.7	144.5	-77.6	17.6	0	0	0	122.8
447	D	41.9	Very low	41.7	Very low	103 Å²	103	154.4 Å²	154.4	55%	0.551	75%	0.754	S	S	*	*				96.3	114	122.9	-84.1	-27.3	0	0	0	124.9
448	K	41.3	Very low	41.4	Very low	160 Å²	160	153.8 Å²	153.8	70%	0.696	76%	0.756	S	S	*	*				70.3	120.4	126.5	-68	162.6	-175.3	135.6	0	122.4
449	R	42.8	Very low	41.1	Very low	238 Å²	238	147 Å²	147	90%	0.898	75%	0.75	S	S	*	*				-175.5	126	108.9	-90.7	148.7	-167.2	-142.1	2.6	110.1
450	K	43.7	Very low	40.7	Very low	214 Å²	214	143.8 Å²	143.8	93%	0.93	75%	0.754	S	S	*	*				53.5	132.6	97.4	-78.4	-167.1	171.8	-172.7	0	115.1
451	G	43.9	Very low	40.4	Very low	80 Å²	80	146.1 Å²	146.1	83%	0.825	76%	0.755	S	S	*	*			cis	-147.2	-155.7	-4.6	0	0	0	0	0	108.8
452	K	45.1	Very low	40.2	Very low	153 Å²	153	147.6 Å²	147.6	67%	0.665	76%	0.755	S	S	*	*			cis	-156.7	146.7	-3.1	-135.8	-129.6	147.8	-161.6	0	103.6	D454	K452-D454 IonicContact NZ-OD1 3.45Å; K452-D454 PolarHBondContact NZ-OD1 3.32Å; K452-D454 IonicContact NZ-OD2 2.61Å; K452-D454 PolarHBondContact NZ-OD2 3.04Å
453	I	42.4	Very low	40.1	Very low	129 Å²	129	151.5 Å²	151.5	66%	0.662	76%	0.76	S	S	*	*				55.2	130.5	64.2	-53.1	168.1	0	0	0	110.1
454	D	40.8	Very low	40.1	Very low	124 Å²	124	151.3 Å²	151.3	66%	0.663	75%	0.753	S	S	*	*			cis	-131.2	-164.9	21.3	-49.5	-95.3	0	0	0	111.7	K452	K452-D454 IonicContact NZ-OD1 3.45Å; K452-D454 PolarHBondContact NZ-OD1 3.32Å; K452-D454 IonicContact NZ-OD2 2.61Å; K452-D454 PolarHBondContact NZ-OD2 3.04Å
455	T	43.3	Very low	39.9	Very low	106 Å²	106	149.6 Å²	149.6	65%	0.65	75%	0.753	S	S	*	*				-165.3	129.6	-65.4	-67.8	0	0	0	0	111.8
456	D	37.6	Very low	39.7	Very low	140 Å²	140	145.3 Å²	145.3	75%	0.749	75%	0.747	S	S	*	*			trans	59.7	163.1	156.4	-59.7	-14.8	0	0	0	126.6
457	Y	39.7	Very low	39.8	Very low	213 Å²	213	146.8 Å²	146.8	84%	0.835	75%	0.753	S	S	*	*			trans	82.3	87.9	161.9	-77.6	-83	0	0	0	123.6
458	N	36.6	Very low	39.8	Very low	156 Å²	156	147.3 Å²	147.3	83%	0.834	77%	0.765	S	S	*	*				37.5	123.2	115.9	-171.5	28.1	0	0	0	121.3
459	G	33	Very low	39.7	Very low	62 Å²	62	144.9 Å²	144.9	64%	0.639	77%	0.768	S	S	*	*			trans	146.9	95.7	140	0	0	0	0	0	121.1
460	S	35.9	Very low	39.6	Very low	104 Å²	104	138.9 Å²	138.9	73%	0.727	76%	0.76	S	S	*	*			trans	72	148.1	139.2	-143.2	0	0	0	0	122.9
461	R	38.5	Very low	39.3	Very low	212 Å²	212	139.4 Å²	139.4	80%	0.8	76%	0.756	S	S	*	*			trans	71.1	106.8	155.6	-77.8	163.8	175.9	140	2.4	121.3
462	D	35.9	Very low	39	Very low	138 Å²	138	147 Å²	147	74%	0.738	76%	0.76	S	S	*	*				40.1	120.7	115.4	-45.7	-43.6	0	0	0	119.5
463	Y	40.6	Very low	38.6	Very low	233 Å²	233	142.9 Å²	142.9	91%	0.914	76%	0.761	S	S	*	*				-152.1	144.5	126.2	-118	-76.7	0	0	0	112.2
464	S	36.1	Very low	38.1	Very low	90 Å²	90	141.8 Å²	141.8	63%	0.629	77%	0.765	S	S	*	*			trans	-82.7	155.6	178	57.1	0	0	0	0	112.9
465	N	39.9	Very low	37.7	Very low	166 Å²	166	142.1 Å²	142.1	89%	0.888	77%	0.771	S	S	*	*			trans	-150.1	145.6	131.7	-108.9	-29.5	0	0	0	112.8
466	S	35.8	Very low	37.4	Very low	100 Å²	100	145.7 Å²	145.7	70%	0.699	78%	0.781	S	S	*	*			trans	-110	161.1	-179.8	56	0	0	0	0	110.5
467	I	41.8	Very low	37.3	Very low	162 Å²	162	149.1 Å²	149.1	83%	0.831	79%	0.789	S	S	*	*			trans	-169.8	141.1	139.9	-108	153.6	0	0	0	113.6
468	S	42	Very low	37.1	Very low	113 Å²	113	147 Å²	147	79%	0.79	79%	0.787	S	S	*	*			trans	54.7	107.8	160.2	-63.9	0	0	0	0	122.4
469	S	37.6	Very low	37.2	Very low	110 Å²	110	146.3 Å²	146.3	77%	0.769	78%	0.783	S	S	*	*			trans	-84.3	164	145.7	-157.7	0	0	0	0	109.6
470	P	42	Very low	37.4	Very low	112 Å²	112	149.4 Å²	149.4	73%	0.727	79%	0.786	S	S	*	*				-153.1	154.1	83.9	39.2	-20.6	0	0	0	117.8
471	R	37.2	Very low	37.4	Very low	224 Å²	224	154.9 Å²	154.9	85%	0.845	79%	0.79	S	S	*	*			trans	38.4	141.5	137.2	-56.4	-178.6	173.6	-155.3	-4.4	119.7
472	R	36.8	Very low	37.4	Very low	240 Å²	240	150.9 Å²	150.9	91%	0.906	78%	0.78	S	S	*	*			cis	-167.2	152.5	28.7	-153.3	179.5	-174.3	179.1	-0	112
473	G	36.7	Very low	37.5	Very low	67 Å²	67	152.9 Å²	152.9	69%	0.691	78%	0.778	S	S	*	*			trans	104	140.5	160.1	0	0	0	0	0	115
474	S	32.7	Very low	37.3	Very low	106 Å²	106	150.1 Å²	150.1	74%	0.741	77%	0.767	S	S	*	*			cis	173.7	139.5	-20.6	32.7	0	0	0	0	106.8
475	T	32	Very low	37.6	Very low	130 Å²	130	149.1 Å²	149.1	80%	0.798	76%	0.757	S	S	*	*			trans	55.1	102.5	162.9	57	0	0	0	0	119
476	Q	36.5	Very low	37.6	Very low	182 Å²	182	145.6 Å²	145.6	85%	0.85	74%	0.738	S	S	*	*				-179.1	-10.3	125.4	-101.8	-176.1	23.8	0	0	114.8	E478	Q476-E478 PolarHBondContact O-N 3.4Å
477	F	36.2	Very low	38	Very low	211 Å²	211	146.6 Å²	146.6	93%	0.925	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	35.9	-164.7	-90.8	-84.9	0	0	0	117.9
478	E	36	Very low	37.9	Very low	170 Å²	170	145.8 Å²	145.8	79%	0.794	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.3	-22.3	178.1	-82.4	164.1	135.8	0	0	115.4	Q476 N480 R481	Q476-E478 PolarHBondContact O-N 3.4Å; E478-N480 VanDerWaalsContact C-N 3.27Å; E478-N480 PolarHBondContact O-N 3.02Å; E478-R481 PolarHBondContact O-N 2.8Å
479	N	37.4	Very low	37.7	Very low	140 Å²	140	147 Å²	147	75%	0.749	72%	0.718	S	S	*	*	H	α-helix	trans	-71	-14.1	-175.9	-71.3	-6.3	0	0	0	115.3
480	N	37.8	Very low	38.1	Very low	128 Å²	128	148.1 Å²	148.1	68%	0.684	71%	0.714	S	S	*	*	H	α-helix	trans	-87.2	-8	-178.2	-103.2	12.4	0	0	0	114.5	E478	E478-N480 VanDerWaalsContact C-N 3.27Å; E478-N480 PolarHBondContact O-N 3.02Å
481	R	36.6	Very low	38.1	Very low	218 Å²	218	149 Å²	149	82%	0.823	71%	0.712	S	S	*	*	H	α-helix	trans	-90.7	-24.7	-179.4	-140.8	172.9	-154.2	-118.6	0.6	113.7	E478	E478-R481 PolarHBondContact O-N 2.8Å
482	Q	37.3	Very low	38.1	Very low	128 Å²	128	142.2 Å²	142.2	60%	0.598	70%	0.699	S	S	*	*	H	α-helix	trans	-78.1	-37.3	-178.1	-146.8	65.6	22.2	0	0	113	Y484 V485	Q482-Y484 PolarHBondContact O-N 2.82Å; Q482-Y484 VanDerWaalsContact O-N 3.13Å; Q482-V485 WeakPolarHBondContact O-CB 3.41Å; Q482-V485 PolarHBondContact O-N 2.91Å
483	R	38.8	Very low	38.3	Very low	180 Å²	180	137.4 Å²	137.4	68%	0.679	69%	0.691	S	S	*	*	H	α-helix	trans	-56.8	-30.1	177.5	-73.2	-172.8	175.2	-173.9	-1.5	114	V485	R483-V485 PolarHBondContact O-N 3.2Å
484	Y	36	Very low	38.6	Very low	175 Å²	175	136.3 Å²	136.3	69%	0.686	68%	0.676	S	S	*	*	H	α-helix	trans	-76	-4.1	177.9	-95	-75.2	0	0	0	114.3	Q482	Q482-Y484 PolarHBondContact O-N 2.82Å; Q482-Y484 VanDerWaalsContact O-N 3.13Å
485	V	42	Very low	38.9	Very low	69 Å²	69	138.6 Å²	138.6	42%	0.418	68%	0.68	S	S	.	*	H	α-helix	trans	-98.2	-44.1	176.5	-164	0	0	0	0	110.2	Q482 R483 E487 Q488 E489	Q482-V485 WeakPolarHBondContact O-CB 3.41Å; Q482-V485 PolarHBondContact O-N 2.91Å; R483-V485 PolarHBondContact O-N 3.2Å; V485-E487 VanDerWaalsContact C-N 3.26Å; V485-E487 PolarHBondContact O-N 3.31Å; V485-Q488 PolarHBondContact O-N 3.13Å; V485-E489 PolarHBondContact O-N 3.48Å
486	D	40.3	Very low	39.3	Very low	93 Å²	93	138 Å²	138	50%	0.497	67%	0.671	S	S	.	*	H	α-helix	trans	-59.8	-34.3	177.3	-54.4	-19	0	0	0	112.4	Q488 E489 L490	D486-Q488 PolarHBondContact O-N 3.34Å; D486-E489 PolarHBondContact O-N 2.65Å; D486-L490 PolarHBondContact O-N 2.9Å
487	E	45.1	Very low	39.3	Very low	120 Å²	120	137.8 Å²	137.8	56%	0.561	66%	0.664	S	S	*	*	H	α-helix	trans	-67.7	-15.1	175.4	-73.7	-171.5	126.8	0	0	114.1	V485	V485-E487 VanDerWaalsContact C-N 3.26Å; V485-E487 PolarHBondContact O-N 3.31Å
488	Q	38.1	Very low	39.2	Very low	145 Å²	145	137.3 Å²	137.3	68%	0.678	66%	0.656	S	S	*	*	H	α-helix	trans	-91.6	-31.7	173.8	-68.8	-167.2	-18.9	0	0	113.1	V485 D486 L490 L491	V485-Q488 PolarHBondContact O-N 3.13Å; D486-Q488 PolarHBondContact O-N 3.34Å; Q488-L490 VanDerWaalsContact C-N 3.32Å; Q488-L491 PolarHBondContact O-N 2.93Å; Q488-L491 VanDerWaalsContact O-N 3.14Å
489	E	39.7	Very low	39.2	Very low	140 Å²	140	136 Å²	136	65%	0.654	65%	0.645	S	S	*	*	H	α-helix	trans	-69.2	-32.1	174.6	-64.6	-164.6	149.7	0	0	111.9	V485 D486 L491 S492	V485-E489 PolarHBondContact O-N 3.48Å; D486-E489 PolarHBondContact O-N 2.65Å; E489-L491 PolarHBondContact O-N 3.4Å; E489-S492 WeakPolarHBondContact CA-OG 3.18Å; E489-S492 PolarHBondContact O-N 3.14Å; E489-S492 VanDerWaalsContact O-N 3.16Å; E489-S492 PolarHBondContact O-OG 2.82Å
490	L	44.2	Very low	39.4	Very low	133 Å²	133	137.8 Å²	137.8	70%	0.696	65%	0.646	S	S	*	*	H	α-helix	trans	-66.2	-10.1	171	-75.2	170.2	0	0	0	114.5	D486 Q488	D486-L490 PolarHBondContact O-N 2.9Å; Q488-L490 VanDerWaalsContact C-N 3.32Å
491	L	43.4	Very low	39.4	Very low	131 Å²	131	136.1 Å²	136.1	69%	0.686	64%	0.643	S	S	*	*	H	α-helix	trans	-94.9	-18	174	-70.3	167.5	0	0	0	113.1	Q488 E489 A494	Q488-L491 PolarHBondContact O-N 2.93Å; Q488-L491 VanDerWaalsContact O-N 3.14Å; E489-L491 PolarHBondContact O-N 3.4Å; L491-A494 WeakPolarHBondContact O-CB 3.27Å
492	S	37.5	Very low	39.6	Very low	80 Å²	80	130.5 Å²	130.5	56%	0.559	63%	0.625	S	S	*	*	H	α-helix	trans	-78.8	-25.6	177.3	24.4	0	0	0	0	114.7	E489 A494	E489-S492 WeakPolarHBondContact CA-OG 3.18Å; E489-S492 PolarHBondContact O-N 3.14Å; E489-S492 VanDerWaalsContact O-N 3.16Å; E489-S492 PolarHBondContact O-OG 2.82Å; S492-A494 PolarHBondContact O-N 3.33Å; S492-A494 VanDerWaalsContact O-N 3.15Å
493	D	40.1	Very low	39.7	Very low	139 Å²	139	129.5 Å²	129.5	74%	0.743	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-71.2	-3.4	175.7	-84.2	-13.8	0	0	0	113.4	D495	D493-D495 PolarHBondContact O-N 3.48Å
494	A	43.7	Very low	39.8	Very low	45 Å²	45	128.3 Å²	128.3	37%	0.372	63%	0.626	S	S	.	*	G	3₁₀ helix	trans	-70.7	-6	-176.6	0	0	0	0	0	115.1	L491 S492 Y497	L491-A494 WeakPolarHBondContact O-CB 3.27Å; S492-A494 PolarHBondContact O-N 3.33Å; S492-A494 VanDerWaalsContact O-N 3.15Å; A494-Y497 WeakPolarHBondContact O-CD2 3.08Å; A494-Y497 VanDerWaalsContact O-CE2 3.28Å; A494-Y497 WeakPolarHBondContact O-CE2 3.09Å
495	D	38.8	Very low	40.1	Very low	153 Å²	153	122.3 Å²	122.3	82%	0.818	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-94.2	-14.2	-177.3	-81	-31	0	0	0	115	D493 Y497	D493-D495 PolarHBondContact O-N 3.48Å; D495-Y497 PolarHBondContact O-N 3.36Å
496	D	39.6	Very low	40	Very low	117 Å²	117	126 Å²	126	63%	0.626	61%	0.612	S	S	*	*			trans	-80.1	56.7	174.4	-165.6	35.8	0	0	0	112.7	R498	D496-R498 PolarHBondContact O-N 2.75Å; D496-R498 WeakPolarHBondContact OD1-CB 3.25Å
497	Y	37.2	Very low	40	Very low	179 Å²	179	125.7 Å²	125.7	70%	0.702	61%	0.614	S	S	*	*			trans	-70.2	33.1	169.4	-94.1	-88.4	0	0	0	113.1	A494 D495 Y499	A494-Y497 WeakPolarHBondContact O-CD2 3.08Å; A494-Y497 VanDerWaalsContact O-CE2 3.28Å; A494-Y497 WeakPolarHBondContact O-CE2 3.09Å; D495-Y497 PolarHBondContact O-N 3.36Å; Y497-Y499 PolarHBondContact O-N 2.68Å
498	R	33.1	Very low	39.9	Very low	201 Å²	201	124 Å²	124	76%	0.758	61%	0.611	S	S	*	*			trans	-79.3	83.9	-176.9	-169.1	172.9	-170.4	166.7	3.9	111.4	D496 K500	D496-R498 PolarHBondContact O-N 2.75Å; D496-R498 WeakPolarHBondContact OD1-CB 3.25Å; R498-K500 PolarHBondContact O-N 3.11Å
499	Y	36.7	Very low	39.9	Very low	141 Å²	141	122.2 Å²	122.2	55%	0.553	60%	0.598	S	S	*	*			trans	-31.2	101.2	175.4	-170.7	-94.7	0	0	0	113.9	D237 Y497 P501	D237-Y499 PolarHBondContact OD2-OH 2.89Å; Y497-Y499 PolarHBondContact O-N 2.68Å; Y499-P501 HydrophobicContact CE1-CB 4.48Å
500	K	41.5	Very low	39.8	Very low	178 Å²	178	119.3 Å²	119.3	77%	0.774	59%	0.587	S	S	*	*			trans	-85.9	119.4	170	-71.4	176	-176.6	166	0	108.2	R498 H502	R498-K500 PolarHBondContact O-N 3.11Å; K500-H502 PolarHBondContact O-N 3.38Å
501	P	37.8	Very low	39.5	Very low	94 Å²	94	119.3 Å²	119.3	61%	0.61	59%	0.588	S	S	*	*			trans	-70.2	114.7	-176	27.1	-33.8	0	0	0	111.3	Y499 N503	Y499-P501 HydrophobicContact CE1-CB 4.48Å; P501-N503 PolarHBondContact O-N 3.28Å
502	H	41.3	Very low	39.4	Very low	99 Å²	99	118.6 Å²	118.6	46%	0.458	59%	0.589	S	S	.	*			trans	-64.5	95.7	177	-110.9	-56.4	0	0	0	111.3	R259 D315 K500 I505	R259-H502 PolarHBondContact NH2-NE2 3.42Å; R259-H502 VanDerWaalsContact NH2-NE2 3.13Å; D315-H502 IonicContact OD1-NE2 3.62Å; D315-H502 IonicContact OD2-CD2 2.91Å; D315-H502 IonicContact OD2-NE2 3.17Å; D315-H502 PolarHBondContact OD2-NE2 3.41Å; K500-H502 PolarHBondContact O-N 3.38Å; H502-I505 HydrophobicContact CB-CD1 4Å; H502-I505 HydrophobicContact CB-CG1 4.35Å
503	N	38	Very low	39.4	Very low	107 Å²	107	121.8 Å²	121.8	57%	0.572	60%	0.595	S	S	*	*			trans	-83.3	-16.2	176.1	-92.1	-36.9	0	0	0	113.5	P501	P501-N503 PolarHBondContact O-N 3.28Å
504	E	41.7	Very low	39.1	Very low	156 Å²	156	122.5 Å²	122.5	73%	0.729	59%	0.592	S	S	*	*	S	Bend	trans	-93.5	-23.7	-167.2	-60.7	-171.5	136	0	0	114.5	R506 T507	E504-R506 PolarHBondContact O-N 3.36Å; E504-T507 PolarHBondContact O-OG1 3.32Å
505	I	43.1	Very low	38.7	Very low	49 Å²	49	127.9 Å²	127.9	25%	0.251	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-60.9	-15.7	179.7	-65.4	179.7	0	0	0	113.1	D315 H502 T507	D315-I505 HydrophobicContact CB-CD1 4.23Å; H502-I505 HydrophobicContact CB-CD1 4Å; H502-I505 HydrophobicContact CB-CG1 4.35Å; I505-T507 PolarHBondContact O-N 3.07Å; I505-T507 VanDerWaalsContact O-N 3.1Å
506	R	40.1	Very low	38.7	Very low	146 Å²	146	127.6 Å²	127.6	55%	0.551	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-63.4	-16.4	-177.2	-68.3	-174	178.2	157.1	9.9	115.5	E504 N510	E504-R506 PolarHBondContact O-N 3.36Å; R506-N510 PolarHBondContact O-ND2 3.25Å
507	T	40.4	Very low	38.5	Very low	87 Å²	87	132.9 Å²	132.9	53%	0.534	63%	0.626	S	S	.	*	G	3₁₀ helix	trans	-81.9	-41.3	-177	53.9	0	0	0	0	112.9	E504 I505 W509 N510	E504-T507 PolarHBondContact O-OG1 3.32Å; I505-T507 PolarHBondContact O-N 3.07Å; I505-T507 VanDerWaalsContact O-N 3.1Å; T507-W509 PolarHBondContact O-N 3.3Å; T507-N510 PolarHBondContact O-N 3.39Å
508	V	42.8	Very low	38.2	Very low	83 Å²	83	130 Å²	130	50%	0.503	63%	0.631	S	S	.	*	G	3₁₀ helix	trans	-64	-45.4	-169.1	-172.4	0	0	0	0	112.2	N510	V508-N510 VanDerWaalsContact C-N 3.28Å; V508-N510 PolarHBondContact O-N 3.32Å
509	W	36.5	Very low	38.6	Very low	109 Å²	109	126.4 Å²	126.4	41%	0.413	63%	0.634	S	S	.	*	G	3₁₀ helix	trans	-72.7	-14.1	179.4	-83.9	86.3	0	0	0	114.6	L230 N318 T507	L230-W509 HydrophobicContact CD1-CD2 4.39Å; L230-W509 HydrophobicContact CD1-CZ2 4.01Å; N318-W509 HydrophobicContact CB-CZ2 4.06Å; T507-W509 PolarHBondContact O-N 3.3Å
510	N	39.2	Very low	38.6	Very low	79 Å²	79	124.7 Å²	124.7	42%	0.422	64%	0.643	S	S	.	*	G	3₁₀ helix	trans	-90	-17.3	-179.4	-88.4	-73.1	0	0	0	114.1	R506 T507 V508	R506-N510 PolarHBondContact O-ND2 3.25Å; T507-N510 PolarHBondContact O-N 3.39Å; V508-N510 VanDerWaalsContact C-N 3.28Å; V508-N510 PolarHBondContact O-N 3.32Å
511	N	37.9	Very low	38.5	Very low	133 Å²	133	125.1 Å²	125.1	71%	0.711	65%	0.647	S	S	*	*	S	Bend	trans	-97	-6.5	-171.4	-72	-7.8	0	0	0	114.3
512	T	40.2	Very low	38.2	Very low	116 Å²	116	127.5 Å²	127.5	71%	0.712	65%	0.65	S	S	*	*	S	Bend	trans	-90.2	-22.7	-174.6	-45.9	0	0	0	0	113.8
513	E	37.5	Very low	38.1	Very low	147 Å²	147	129 Å²	129	69%	0.687	67%	0.669	S	S	*	*	S	Bend	trans	-130.8	46.5	-173.2	-67.6	178.5	168.2	0	0	111.9	K367	K367-E513 IonicContact NZ-OE1 3.54Å; K367-E513 PolarHBondContact NZ-OE1 2.61Å; K367-E513 IonicContact NZ-OE2 2.63Å; K367-E513 PolarHBondContact NZ-OE2 3.45Å
514	K	34.7	Very low	37.9	Very low	154 Å²	154	134 Å²	134	67%	0.67	68%	0.68	S	S	*	*			trans	-137.7	73.7	175.1	-72.7	-171.5	-178.5	170	0	114.6
515	N	35.9	Very low	37.8	Very low	157 Å²	157	134.9 Å²	134.9	84%	0.84	69%	0.688	S	S	*	*	S	Bend	trans	-138.4	150.5	151.6	-92.4	-42.2	0	0	0	108
516	N	37.3	Very low	37.5	Very low	148 Å²	148	137.3 Å²	137.3	79%	0.791	71%	0.709	S	S	*	*	S	Bend	trans	62.3	85.3	-176.1	-55.6	-12.2	0	0	0	115.4
517	Y	35.8	Very low	37.4	Very low	228 Å²	228	135 Å²	135	89%	0.894	72%	0.716	S	S	*	*				-174.1	124.2	122.9	-108.8	-72.9	0	0	0	110.4
518	S	31.7	Very low	37.4	Very low	118 Å²	118	139.3 Å²	139.3	83%	0.825	74%	0.736	S	S	*	*			trans	-113.9	138.5	164.7	-62.3	0	0	0	0	109.2
519	P	40.9	Very low	37.2	Very low	125 Å²	125	142.8 Å²	142.8	81%	0.812	75%	0.747	S	S	*	*			trans	-126.8	133.3	144.4	8.7	12.6	0	0	0	111.1
520	S	36.2	Very low	37.1	Very low	105 Å²	105	145.9 Å²	145.9	73%	0.734	77%	0.765	S	S	*	*			trans	-83.7	133.1	171.1	50.2	0	0	0	0	111.5
521	H	39.6	Very low	37.1	Very low	187 Å²	187	146.6 Å²	146.6	87%	0.866	78%	0.783	S	S	*	*			trans	-175.6	133.5	135.4	-110.4	-78	0	0	0	112.2
522	E	32.3	Very low	37.2	Very low	145 Å²	145	148.7 Å²	148.7	68%	0.678	79%	0.793	S	S	*	*			trans	-74.4	163.2	160.2	-68.7	-162.3	124.5	0	0	110.7
523	P	39.7	Very low	37.1	Very low	131 Å²	131	152.3 Å²	152.3	85%	0.851	80%	0.802	S	S	*	*				-138	162.9	98	38	-26.7	0	0	0	115.8
524	R	32.4	Very low	37.4	Very low	212 Å²	212	153.2 Å²	153.2	80%	0.8	81%	0.806	S	S	*	*			trans	-85.1	143.3	-175.9	-54	167.9	175.7	-177.1	-4.6	114.1
525	L	39.3	Very low	37.7	Very low	173 Å²	173	152.8 Å²	152.8	91%	0.906	81%	0.81	S	S	*	*			trans	-151	99.5	147.3	-78	-179.1	0	0	0	107.8
526	S	37.8	Very low	37.9	Very low	100 Å²	100	155.4 Å²	155.4	70%	0.699	81%	0.808	S	S	*	*				79.4	109	84	-158.7	0	0	0	0	115.8
527	S	37.2	Very low	38	Very low	99 Å²	99	157.7 Å²	157.7	69%	0.692	81%	0.814	S	S	*	*			trans	52	112.1	142.8	61.5	0	0	0	0	121.1
528	N	41.4	Very low	38.1	Very low	176 Å²	176	154.8 Å²	154.8	94%	0.941	81%	0.811	S	S	*	*				-144.3	152	126.7	-115.6	-29.2	0	0	0	110
529	Q	38.5	Very low	38.6	Very low	157 Å²	157	158.5 Å²	158.5	73%	0.734	81%	0.812	S	S	*	*			trans	-123.3	155.7	-164.8	-89	-166.3	18.3	0	0	114
530	Q	33.9	Very low	38.5	Very low	173 Å²	173	159.7 Å²	159.7	81%	0.808	81%	0.807	S	S	*	*			trans	58	113.2	152.7	-66.4	174.7	47.3	0	0	119.6
531	A	39	Very low	38.6	Very low	95 Å²	95	159.4 Å²	159.4	79%	0.785	81%	0.805	S	S	*	*			trans	-152.3	101.3	145.6	0	0	0	0	0	111.7
532	L	41	Very low	38.8	Very low	176 Å²	176	158.5 Å²	158.5	92%	0.921	81%	0.807	S	S	*	*			trans	50.4	115	147.8	-62	165.1	0	0	0	120.7
533	Q	37.7	Very low	39.2	Very low	193 Å²	193	162.5 Å²	162.5	90%	0.902	82%	0.815	S	S	*	*			trans	-93.7	118.8	151.3	-66.2	176.1	0.6	0	0	109.9
534	H	43	Very low	39.4	Very low	166 Å²	166	164 Å²	164	77%	0.769	82%	0.815	S	S	*	*			trans	-168.3	118.5	144.1	-137.4	-98.6	0	0	0	110.1
535	D	42.6	Very low	39.7	Very low	144 Å²	144	161.2 Å²	161.2	77%	0.77	82%	0.816	S	S	*	*				-165.1	158.3	104.2	-122.9	-11.4	0	0	0	113.8
536	R	39	Very low	39.8	Very low	212 Å²	212	158.4 Å²	158.4	80%	0.8	81%	0.808	S	S	*	*			trans	-119.6	138.4	173.6	-88	178.7	165.4	179.6	-3.5	109.4
537	Q	40.5	Very low	39.8	Very low	196 Å²	196	160.7 Å²	160.7	92%	0.916	82%	0.818	S	S	*	*			trans	-146.4	137.8	148.7	-121.1	161.7	84.5	0	0	112.2
538	M	36.3	Very low	40	Very low	168 Å²	168	161.2 Å²	161.2	83%	0.828	82%	0.821	S	S	*	*			trans	-98.6	145.5	-178.9	-72.4	-87.6	-158.7	0	0	110.2
539	K	41.8	Very low	39.9	Very low	195 Å²	195	159.5 Å²	159.5	85%	0.848	82%	0.817	S	S	*	*			trans	161.8	150	152.6	-94.5	161.9	178.9	-179	0	108.9
540	E	39.2	Very low	39.9	Very low	150 Å²	150	155.2 Å²	155.2	70%	0.701	82%	0.815	S	S	*	*			cis	-154.4	152.6	-19.3	-170.7	51.3	-106.9	0	0	108
541	S	39.7	Very low	40.4	Very low	99 Å²	99	155.1 Å²	155.1	69%	0.692	82%	0.819	S	S	*	*			trans	-25.9	133.6	172.3	-55	0	0	0	0	118.1
542	N	42.5	Very low	40.5	Very low	168 Å²	168	158.3 Å²	158.3	90%	0.898	82%	0.817	S	S	*	*			trans	-144.4	138.2	144.1	-134.3	-15.5	0	0	0	112.1
543	R	40.2	Very low	40.7	Very low	229 Å²	229	157.5 Å²	157.5	86%	0.864	81%	0.813	S	S	*	*			trans	-91.8	169.2	-178.7	-67.6	175.6	172.7	175.8	-3.5	109.3
544	I	44.6	Very low	40.6	Very low	163 Å²	163	158 Å²	158	84%	0.836	81%	0.807	S	S	*	*				-167.7	158.3	66.9	-79.9	170.9	0	0	0	109.9
545	N	38.3	Very low	40.6	Very low	154 Å²	154	159.9 Å²	159.9	82%	0.824	81%	0.809	S	S	*	*			trans	-82.2	164	-177.7	-80	-6.8	0	0	0	115.3
546	P	42.4	Very low	40.6	Very low	114 Å²	114	159 Å²	159	74%	0.74	80%	0.804	S	S	*	*			trans	-99.4	149.8	177.6	37.7	-33.9	0	0	0	115
547	T	37.8	Very low	41	Very low	147 Å²	147	156.6 Å²	156.6	90%	0.902	80%	0.801	S	S	*	*			trans	-179.4	126.6	149.1	38.7	0	0	0	0	113.3
548	S	40.4	Very low	41.5	Very low	110 Å²	110	152.6 Å²	152.6	77%	0.769	79%	0.792	S	S	*	*			trans	174.7	120	150.2	-167.3	0	0	0	0	106.6
549	V	40.4	Very low	42.6	Very low	140 Å²	140	150.4 Å²	150.4	85%	0.848	79%	0.791	S	S	*	*			cis	75.3	122.7	43.9	-171.5	0	0	0	0	113.2
550	G	37.9	Very low	42.5	Very low	68 Å²	68	149.9 Å²	149.9	70%	0.701	79%	0.791	S	S	*	*			trans	98.3	145.2	-178.4	0	0	0	0	0	113.8
551	I	43.2	Very low	42.7	Very low	171 Å²	171	152.8 Å²	152.8	88%	0.877	80%	0.797	S	S	*	*			cis	-141.6	158.3	-3.7	-67.5	-176.8	0	0	0	108.6
552	H	41.7	Very low	42.8	Very low	162 Å²	162	154.9 Å²	154.9	75%	0.75	80%	0.801	S	S	*	*			trans	-64.7	151.6	176.5	-73.7	20	0	0	0	114.4
553	N	44.4	Very low	42.7	Very low	158 Å²	158	152.5 Å²	152.5	85%	0.845	79%	0.793	S	S	*	*			trans	-148.7	154.3	133.4	-129.3	-14.8	0	0	0	111.4
554	R	37.6	Very low	43.1	Very low	205 Å²	205	150.9 Å²	150.9	77%	0.774	80%	0.795	S	S	*	*			trans	-112	-169.3	178.5	-66	-173	-176.8	175.5	2.3	110.7
555	Y	42.7	Very low	42.9	Very low	205 Å²	205	151.9 Å²	151.9	80%	0.804	80%	0.796	S	S	*	*			trans	79.3	135.9	-177.9	-47.1	-68.1	0	0	0	114.4
556	N	41.7	Very low	43.4	Very low	125 Å²	125	150.3 Å²	150.3	67%	0.668	80%	0.797	S	S	*	*			cis	-157.3	156.6	-18.1	-124.9	10.7	0	0	0	111.3
557	H	47.8	Very low	43.4	Very low	161 Å²	161	151.9 Å²	151.9	75%	0.745	80%	0.799	S	S	*	*			trans	20.9	125.1	164.2	-61.7	-76.8	0	0	0	122.2
558	P	50.6	Low	43.9	Very low	112 Å²	112	150.2 Å²	150.2	73%	0.727	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-91.6	152	139	36.4	-30	0	0	0	111.4
559	P	59.7	Low	43.9	Very low	122 Å²	122	149.3 Å²	149.3	79%	0.792	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-82.9	140	165.3	33.1	-31.6	0	0	0	111.3
560	Q	38.8	Very low	44	Very low	184 Å²	184	150.7 Å²	150.7	86%	0.86	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-93.9	144.1	161.5	-63.3	173.3	-74.6	0	0	108.5
561	Y	44.2	Very low	44.1	Very low	211 Å²	211	155.8 Å²	155.8	83%	0.827	79%	0.79	S	S	*	*			trans	-146	114.7	153.5	-95.6	-71.8	0	0	0	110.2
562	D	42.3	Very low	44	Very low	143 Å²	143	155 Å²	155	77%	0.765	79%	0.788	S	S	*	*			trans	44.4	124.7	146.9	-53.1	-19.1	0	0	0	122.1
563	T	40.2	Very low	43.9	Very low	118 Å²	118	154 Å²	154	72%	0.724	79%	0.788	S	S	*	*			trans	-73.5	140.3	169.1	-44	0	0	0	0	111.8	E565	T563-E565 HydrophobicContact CG2-CG 3.96Å
564	E	48.5	Very low	43.5	Very low	196 Å²	196	156.9 Å²	156.9	92%	0.916	79%	0.787	S	S	*	*			trans	-129.3	130.4	141.5	-75.8	-161	143.5	0	0	109.3
565	E	41.2	Very low	43.6	Very low	184 Å²	184	155.4 Å²	155.4	86%	0.86	79%	0.786	S	S	*	*			trans	-90.9	135.5	177.2	-66.3	175.7	114	0	0	110.3	T563	T563-E565 HydrophobicContact CG2-CG 3.96Å
566	S	48.5	Very low	43.4	Very low	121 Å²	121	153 Å²	153	85%	0.846	79%	0.787	S	S	*	*			trans	-143.7	87.8	159.7	44.8	0	0	0	0	109.6
567	D	42.4	Very low	43.1	Very low	146 Å²	146	153.4 Å²	153.4	78%	0.781	79%	0.793	S	S	*	*			trans	-79.2	138.5	179	-165.1	6.9	0	0	0	111
568	S	47.6	Very low	42.6	Very low	113 Å²	113	152.5 Å²	152.5	79%	0.79	79%	0.794	S	S	*	*			trans	-167.2	87.4	179.7	-79.4	0	0	0	0	111.2
569	P	40.6	Very low	42	Very low	91 Å²	91	152.2 Å²	152.2	59%	0.591	80%	0.795	S	S	*	*			trans	-90.9	167.5	173.9	36.6	-34.9	0	0	0	112.6
570	M	42.8	Very low	41	Very low	169 Å²	169	149.7 Å²	149.7	83%	0.833	79%	0.791	S	S	*	*			trans	72.6	150.7	176.3	-56.1	-178.3	-74.6	0	0	114
571	E	40.4	Very low	40.6	Very low	175 Å²	175	152.4 Å²	152.4	82%	0.818	80%	0.795	S	S	*	*			cis	-137.7	151.5	15	-152.9	153.8	-136	0	0	112.2
572	N	39.4	Very low	40.6	Very low	154 Å²	154	148 Å²	148	82%	0.824	79%	0.792	S	S	*	*			trans	-91.5	135.2	169.1	-83.2	-88.1	0	0	0	108.8
573	D	40.3	Very low	40.4	Very low	142 Å²	142	150.1 Å²	150.1	76%	0.759	80%	0.795	S	S	*	*			trans	-134.4	149.5	160	-153.1	-9.8	0	0	0	112.2	F575	D573-F575 WeakPolarHBondContact OD1-CD2 2.96Å
574	R	36.1	Very low	40.3	Very low	217 Å²	217	150.7 Å²	150.7	82%	0.819	80%	0.798	S	S	*	*			trans	-136.2	88.5	-166	-73.3	179.9	170.6	-179.8	-1	112.1
575	F	39.5	Very low	39.8	Very low	175 Å²	175	148.8 Å²	148.8	77%	0.768	80%	0.8	S	S	*	*			trans	-141.1	148.2	167	-72.8	-90.2	0	0	0	110.3	D573	D573-F575 WeakPolarHBondContact OD1-CD2 2.96Å
576	L	38.5	Very low	39.6	Very low	154 Å²	154	151.9 Å²	151.9	81%	0.806	80%	0.804	S	S	*	*			cis	-154.9	156.8	-27.8	-168.1	70.8	0	0	0	106.4
577	V	35.5	Very low	39.1	Very low	133 Å²	133	151.6 Å²	151.6	81%	0.806	80%	0.802	S	S	*	*			trans	-91	130.5	176.4	-179.6	0	0	0	0	110.1
578	D	38.1	Very low	39	Very low	143 Å²	143	156 Å²	156	77%	0.765	81%	0.808	S	S	*	*			trans	-162.3	147.6	135.5	-149.7	2.5	0	0	0	116.7
579	S	38	Very low	38.7	Very low	106 Å²	106	160 Å²	160	74%	0.741	81%	0.814	S	S	*	*			trans	61.6	156.8	146.6	79.2	0	0	0	0	122.1
580	G	37.6	Very low	38.4	Very low	69 Å²	69	159.4 Å²	159.4	71%	0.711	83%	0.825	S	S	*	*			trans	145.2	5	145.4	0	0	0	0	0	122.6
581	Y	30.1	Very low	38.3	Very low	240 Å²	240	157 Å²	157	94%	0.941	82%	0.824	S	S	*	*			trans	-93.9	129.4	174.9	-86.6	-74.4	0	0	0	113.5
582	P	45.2	Very low	37.8	Very low	119 Å²	119	155.7 Å²	155.7	77%	0.773	82%	0.821	S	S	*	*			trans	-120.4	179.5	141.9	36.1	-27.4	0	0	0	112.4
583	K	38	Very low	37.7	Very low	188 Å²	188	156.2 Å²	156.2	82%	0.817	82%	0.821	S	S	*	*			trans	-118.9	173.3	-161.7	-58.6	174.1	177.7	172.9	0	113.6
584	T	37	Very low	37.7	Very low	130 Å²	130	160.8 Å²	160.8	80%	0.798	84%	0.843	S	S	*	*			trans	65.5	121.7	149	44.6	0	0	0	0	121.3
585	T	38.6	Very low	37.8	Very low	155 Å²	155	158 Å²	158	95%	0.951	84%	0.844	S	S	*	*				-152.3	168.8	121.1	30.4	0	0	0	0	111.1
586	R	37.5	Very low	37.7	Very low	249 Å²	249	157.1 Å²	157.1	94%	0.94	85%	0.848	S	S	*	*			trans	-120	134.6	-169.8	-81	167	136.1	-175.4	-2.6	113.2
587	S	38.4	Very low	37.7	Very low	116 Å²	116	157.3 Å²	157.3	81%	0.811	85%	0.85	S	S	*	*			trans	-171.9	119.8	147.6	47.2	0	0	0	0	106.6
588	R	39.1	Very low	37.8	Very low	239 Å²	239	158.7 Å²	158.7	90%	0.902	85%	0.853	S	S	*	*			cis	74.8	132.2	39.1	-147.9	-178.5	-163.1	-150.3	2.3	112.4
589	Q	40.6	Very low	37.8	Very low	195 Å²	195	159.7 Å²	159.7	91%	0.911	86%	0.859	S	S	*	*			trans	70.4	134.5	-158.6	-57.9	172.1	-44.3	0	0	112.7
590	G	35.9	Very low	37.8	Very low	80 Å²	80	163.3 Å²	163.3	83%	0.825	87%	0.866	S	S	*	*			cis	134.8	110	-24.2	0	0	0	0	0	115.5
591	S	39.9	Very low	37.8	Very low	117 Å²	117	170 Å²	170	82%	0.818	88%	0.877	S	S	*	*			trans	-157.1	154.9	146.8	-163	0	0	0	0	110.2
592	I	30	Very low	38.4	Very low	149 Å²	149	164.6 Å²	164.6	76%	0.764	87%	0.873	S	S	*	*			trans	-110.4	140.4	168.9	-70.4	163.1	0	0	0	106.4
593	M	38.2	Very low	37.8	Very low	164 Å²	164	168.4 Å²	168.4	81%	0.808	88%	0.881	S	S	*	*			trans	-176.5	128.3	132.7	-105.3	175.5	-72.9	0	0	112.6
594	I	40	Very low	37.8	Very low	239 Å²	239	166.6 Å²	166.6	100%	1.226	89%	0.887	S	S	*	*			trans	57.6	0	162.1	-42.2	177.5	0	0	0	114.8

Retrieved 594 of 594 residues in 796.6 ms (Link to these results)

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