A0A5K4F3P4_SCHMA Loading...

Protein XRP2

AlphaFold DB , UniProt , Accession A0A5K4F3P4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 393 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	37.1	Very low	32	Very low	234 Å²	234	158.1 Å²	158.1	100%	1.153	83%	0.827	S	S	*	*				0	87.7	0	-155.9	164.5	174.1	0	0	105.6	I3	M1-I3 PolarHBondContact O-N 2.84Å
2	N	29.4	Very low	31.7	Very low	152 Å²	152	159.7 Å²	159.7	81%	0.813	83%	0.826	S	S	*	*			trans	-81.3	108.6	-172.6	-75.5	-10.8	0	0	0	108.6	L4	N2-L4 VanDerWaalsContact C-N 3.3Å; N2-L4 HydrophobicContact CB-CD1 4.38Å; N2-L4 PolarHBondContact O-N 3.1Å
3	I	36.9	Very low	31.5	Very low	161 Å²	161	154.8 Å²	154.8	83%	0.826	82%	0.815	S	S	*	*			trans	-75.5	90.7	168.4	-63.5	169.8	0	0	0	105.9	M1 C5	M1-I3 PolarHBondContact O-N 2.84Å; I3-C5 VanDerWaalsContact C-N 3.35Å; I3-C5 PolarHBondContact O-N 3.2Å
4	L	31.1	Very low	31.1	Very low	137 Å²	137	158.4 Å²	158.4	72%	0.717	81%	0.812	S	S	*	*			trans	-68.2	98.2	165.3	-95	103.8	0	0	0	107.5	N2 F6	N2-L4 VanDerWaalsContact C-N 3.3Å; N2-L4 HydrophobicContact CB-CD1 4.38Å; N2-L4 PolarHBondContact O-N 3.1Å; L4-F6 PolarHBondContact O-N 2.88Å; L4-F6 VanDerWaalsContact O-N 3.09Å
5	C	33.3	Very low	31	Very low	107 Å²	107	159.7 Å²	159.7	72%	0.723	82%	0.82	S	S	*	*			trans	-68	100.9	165.3	-165.3	0	0	0	0	107.7	I3 C7	I3-C5 VanDerWaalsContact C-N 3.35Å; I3-C5 PolarHBondContact O-N 3.2Å; C5-C7 PolarHBondContact O-N 2.5Å
6	F	29.5	Very low	30.7	Very low	185 Å²	185	157.8 Å²	157.8	81%	0.811	81%	0.806	S	S	*	*			trans	-68.3	86.5	166.4	-95.7	-94	0	0	0	107.7	L4 C8	L4-F6 PolarHBondContact O-N 2.88Å; L4-F6 VanDerWaalsContact O-N 3.09Å; F6-C8 PolarHBondContact O-N 3.35Å
7	C	32.6	Very low	30.5	Very low	113 Å²	113	158.3 Å²	158.3	76%	0.764	81%	0.811	S	S	*	*			trans	-58.3	104.8	160.2	-83.5	0	0	0	0	107.5	C5 K9	C5-C7 PolarHBondContact O-N 2.5Å; C7-K9 PolarHBondContact O-N 3.05Å; C7-K9 VanDerWaalsContact O-N 3.13Å
8	C	29.9	Very low	30.4	Very low	119 Å²	119	153.6 Å²	153.6	80%	0.804	81%	0.808	S	S	*	*			trans	-43.5	119.4	165.6	-84.7	0	0	0	0	108.8	F6 S10	F6-C8 PolarHBondContact O-N 3.35Å; C8-S10 VanDerWaalsContact C-N 3.25Å; C8-S10 PolarHBondContact O-N 3.48Å
9	K	29.4	Very low	30.4	Very low	200 Å²	200	150.9 Å²	150.9	87%	0.87	80%	0.804	S	S	*	*			trans	-55.6	95.7	161.9	-77.6	174.8	174.3	175.1	0	107.1	C7 Y11	C7-K9 PolarHBondContact O-N 3.05Å; C7-K9 VanDerWaalsContact O-N 3.13Å; K9-Y11 PolarHBondContact O-N 2.86Å
10	S	36.3	Very low	30.4	Very low	103 Å²	103	153.1 Å²	153.1	72%	0.72	81%	0.806	S	S	*	*			trans	-53.9	117	164.7	-75.4	0	0	0	0	107.5	C8 H12	C8-S10 VanDerWaalsContact C-N 3.25Å; C8-S10 PolarHBondContact O-N 3.48Å; S10-H12 PolarHBondContact O-N 3.3Å
11	Y	26.2	Very low	30.3	Very low	228 Å²	228	153.7 Å²	153.7	89%	0.894	81%	0.808	S	S	*	*			trans	-62.9	85.9	173.2	-131.5	-101.7	0	0	0	107.2	K9 S13	K9-Y11 PolarHBondContact O-N 2.86Å; Y11-S13 VanDerWaalsContact C-N 3.27Å; Y11-S13 PolarHBondContact O-N 3.37Å
12	H	29.2	Very low	29.8	Very low	177 Å²	177	150.1 Å²	150.1	82%	0.819	79%	0.793	S	S	*	*			trans	-68.1	94.9	162.5	-98.1	-72.4	0	0	0	106.7	S10 R14	S10-H12 PolarHBondContact O-N 3.3Å; H12-R14 PolarHBondContact O-N 3.43Å
13	S	28.4	Very low	29.9	Very low	97 Å²	97	147.2 Å²	147.2	68%	0.678	79%	0.785	S	S	*	*			trans	-57.2	107.4	161.3	51.1	0	0	0	0	107.2	Y11 L15	Y11-S13 VanDerWaalsContact C-N 3.27Å; Y11-S13 PolarHBondContact O-N 3.37Å; S13-L15 PolarHBondContact O-N 3.43Å
14	R	26.1	Very low	30	Very low	204 Å²	204	149.6 Å²	149.6	77%	0.77	79%	0.789	S	S	*	*			trans	-50.4	105.1	169.9	-76	174.5	170.8	-173.4	5.7	109.4	H12 E16	H12-R14 PolarHBondContact O-N 3.43Å; R14-E16 HydrophobicContact CB-CG 4.18Å; R14-E16 WeakPolarHBondContact CD-OE1 3.4Å; R14-E16 IonicContact CZ-OE1 3.98Å; R14-E16 IonicContact NE-OE1 3.71Å; R14-E16 IonicContact NH1-OE1 3.86Å; R14-E16 PolarHBondContact NH1-OE1 3Å; R14-E16 PolarHBondContact O-N 2.94Å
15	L	29.5	Very low	30	Very low	179 Å²	179	149.4 Å²	149.4	94%	0.937	79%	0.789	S	S	*	*			trans	-74.1	76.4	150.6	-74.2	166.4	0	0	0	106.8	S13 N17	S13-L15 PolarHBondContact O-N 3.43Å; L15-N17 PolarHBondContact O-N 2.93Å
16	E	26.5	Very low	30	Very low	129 Å²	129	148.4 Å²	148.4	60%	0.603	80%	0.796	S	S	*	*			trans	-69.9	99.4	160.5	-87.1	172.9	-167.2	0	0	107	R14	R14-E16 HydrophobicContact CB-CG 4.18Å; R14-E16 WeakPolarHBondContact CD-OE1 3.4Å; R14-E16 IonicContact CZ-OE1 3.98Å; R14-E16 IonicContact NE-OE1 3.71Å; R14-E16 IonicContact NH1-OE1 3.86Å; R14-E16 PolarHBondContact NH1-OE1 3Å; R14-E16 PolarHBondContact O-N 2.94Å
17	N	27	Very low	30.1	Very low	166 Å²	166	145.9 Å²	145.9	89%	0.888	79%	0.792	S	S	*	*			trans	-164.2	49.2	147.8	-91.6	-20.2	0	0	0	110.1	L15 S19	L15-N17 PolarHBondContact O-N 2.93Å; N17-S19 PolarHBondContact O-N 3.1Å
18	G	29	Very low	30.1	Very low	73 Å²	73	147.4 Å²	147.4	75%	0.753	80%	0.797	S	S	*	*			trans	-88	84.8	158.7	0	0	0	0	0	108.5	K20	G18-K20 PolarHBondContact O-N 2.83Å
19	S	30.5	Very low	30.2	Very low	104 Å²	104	147.6 Å²	147.6	73%	0.727	79%	0.79	S	S	*	*			trans	-58.7	107.1	167.5	50	0	0	0	0	108.4	N17 L21	N17-S19 PolarHBondContact O-N 3.1Å; S19-L21 PolarHBondContact O-N 2.69Å
20	K	29.5	Very low	30.4	Very low	194 Å²	194	142 Å²	142	84%	0.843	78%	0.776	S	S	*	*			trans	-57.9	95.5	171.4	-75.8	177.9	175.6	176.5	0	109.2	G18 L22	G18-K20 PolarHBondContact O-N 2.83Å; K20-L22 PolarHBondContact O-N 3.41Å; K20-L22 VanDerWaalsContact O-N 3.16Å
21	L	28	Very low	30.5	Very low	165 Å²	165	147.7 Å²	147.7	86%	0.864	78%	0.783	S	S	*	*			trans	-76.6	94.4	160	-78.4	167	0	0	0	107.3	S19 S23	S19-L21 PolarHBondContact O-N 2.69Å; L21-S23 PolarHBondContact O-N 3.13Å; L21-S23 VanDerWaalsContact O-N 3.08Å
22	L	28.6	Very low	31.2	Very low	160 Å²	160	147 Å²	147	84%	0.838	78%	0.781	S	S	*	*			trans	-66.9	96.6	166.9	-73.7	159.2	0	0	0	108	K20	K20-L22 PolarHBondContact O-N 3.41Å; K20-L22 VanDerWaalsContact O-N 3.16Å
23	S	30	Very low	31.8	Very low	91 Å²	91	143.6 Å²	143.6	64%	0.636	78%	0.777	S	S	*	*			trans	-74.1	133.5	167.8	66.8	0	0	0	0	109.1	L21 N25	L21-S23 PolarHBondContact O-N 3.13Å; L21-S23 VanDerWaalsContact O-N 3.08Å; S23-N25 PolarHBondContact O-N 2.75Å; S23-N25 VanDerWaalsContact O-N 3.11Å
24	K	39.2	Very low	32.5	Very low	211 Å²	211	142.4 Å²	142.4	92%	0.917	78%	0.78	S	S	*	*	S	Bend	trans	-74.4	6.1	-168.1	-108	-176.2	179.5	-179.9	0	115.7
25	N	32.1	Very low	33.5	Very low	133 Å²	133	144 Å²	144	71%	0.711	79%	0.786	S	S	*	*	S	Bend	trans	-129.4	114.5	177.6	-69.8	-20.4	0	0	0	108	S23 N27	S23-N25 PolarHBondContact O-N 2.75Å; S23-N25 VanDerWaalsContact O-N 3.11Å; N25-N27 PolarHBondContact O-N 3.48Å
26	G	31.7	Very low	35.2	Very low	85 Å²	85	140.5 Å²	140.5	88%	0.876	78%	0.777	S	S	*	*			trans	-68	56.3	-170.6	0	0	0	0	0	115.9
27	N	31.8	Very low	37.6	Very low	133 Å²	133	143.5 Å²	143.5	71%	0.711	79%	0.791	S	S	*	*			trans	-91.7	117.5	163	-76.5	-12	0	0	0	108.5	N25 D29	N25-N27 PolarHBondContact O-N 3.48Å; N27-D29 VanDerWaalsContact C-N 3.3Å; N27-D29 PolarHBondContact O-N 2.8Å
28	V	33.4	Very low	40.3	Very low	144 Å²	144	140.5 Å²	140.5	87%	0.873	77%	0.773	S	S	*	*			trans	-69.5	92.1	169.7	-178.5	0	0	0	0	106.4	S30	V28-S30 PolarHBondContact O-N 3.02Å
29	D	32.9	Very low	43.2	Very low	123 Å²	123	140.8 Å²	140.8	66%	0.658	76%	0.758	S	S	*	*			trans	-61.7	120.6	170.7	-77.9	-24.8	0	0	0	108.3	N27 Y31	N27-D29 VanDerWaalsContact C-N 3.3Å; N27-D29 PolarHBondContact O-N 2.8Å; D29-Y31 PolarHBondContact O-N 3.48Å
30	S	33.5	Very low	46	Very low	84 Å²	84	140.7 Å²	140.7	59%	0.587	75%	0.754	S	S	*	*			trans	-63.9	94.1	-179.4	46.4	0	0	0	0	110.3	V28 Y32 S33	V28-S30 PolarHBondContact O-N 3.02Å; S30-Y32 PolarHBondContact O-N 3.22Å; S30-S33 PolarHBondContact O-N 2.92Å; S30-S33 PolarHBondContact O-OG 2.97Å
31	Y	38.1	Very low	48.9	Very low	221 Å²	221	134.5 Å²	134.5	87%	0.867	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	21.5	177.4	-108.4	-91.8	0	0	0	115.3	D29	D29-Y31 PolarHBondContact O-N 3.48Å
32	Y	40.9	Very low	52	Low	214 Å²	214	130.4 Å²	130.4	84%	0.839	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	-4.9	173.3	-68.2	-70.9	0	0	0	113.7	S30 G34	S30-Y32 PolarHBondContact O-N 3.22Å; Y32-G34 VanDerWaalsContact C-N 3.27Å; Y32-G34 PolarHBondContact O-N 3.32Å; Y32-G34 VanDerWaalsContact O-N 3.11Å
33	S	40.2	Very low	55.2	Low	106 Å²	106	124.1 Å²	124.1	74%	0.741	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	26.7	-171.2	-52.5	0	0	0	0	115.5	S30	S30-S33 PolarHBondContact O-N 2.92Å; S30-S33 PolarHBondContact O-OG 2.97Å
34	G	43.7	Very low	58.4	Low	72 Å²	72	122.7 Å²	122.7	74%	0.742	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.9	2.3	-174.4	0	0	0	0	0	117	Y32 S36	Y32-G34 VanDerWaalsContact C-N 3.27Å; Y32-G34 PolarHBondContact O-N 3.32Å; Y32-G34 VanDerWaalsContact O-N 3.11Å; G34-S36 PolarHBondContact O-N 3.07Å
35	R	48.5	Very low	61.2	Low	238 Å²	238	112.9 Å²	112.9	90%	0.898	62%	0.623	S	S	*	*			trans	-79.7	107.5	165.9	-75.6	-175	177.7	-179.5	-1.7	106.8	E37	R35-E37 PolarHBondContact O-N 3.45Å
36	S	64.1	Low	64.2	Low	105 Å²	105	108.5 Å²	108.5	73%	0.734	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-50.1	129.1	162.5	46.5	0	0	0	0	108	G34 I38	G34-S36 PolarHBondContact O-N 3.07Å; S36-I38 PolarHBondContact O-N 3.36Å
37	E	77.5	Confident	67.3	Low	192 Å²	192	109.6 Å²	109.6	90%	0.897	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-59.8	125	175.2	-164.1	165.4	-169.1	0	0	107.8	R35 D39	R35-E37 PolarHBondContact O-N 3.45Å; E37-D39 PolarHBondContact O-N 3.1Å
38	I	83.5	Confident	70.3	Confident	103 Å²	103	106.6 Å²	106.6	53%	0.528	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-73.5	117.4	-178	-63.6	175.8	0	0	0	107	S36 P40 F43	S36-I38 PolarHBondContact O-N 3.36Å; I38-P40 WeakPolarHBondContact O-CD 3.48Å; I38-F43 HydrophobicContact CG2-CD2 4.25Å; I38-F43 HydrophobicContact CG2-CE2 3.26Å; I38-F43 HydrophobicContact CG2-CZ 3.79Å
39	D	89.3	Confident	73.1	Confident	79 Å²	79	104.7 Å²	104.7	42%	0.422	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-80.9	119.9	173.7	-175.6	-5.4	0	0	0	109.5	E37 S41 D42 F43	E37-D39 PolarHBondContact O-N 3.1Å; D39-S41 PolarHBondContact O-N 3.43Å; D39-S41 VanDerWaalsContact O-N 3.08Å; D39-S41 WeakPolarHBondContact OD1-CB 3.29Å; D39-S41 PolarHBondContact OD1-N 2.99Å; D39-S41 PolarHBondContact OD1-OG 3.23Å; D39-S41 PolarHBondContact OD2-OG 3.09Å; D39-D42 WeakPolarHBondContact O-CB 3.19Å; D39-D42 PolarHBondContact O-N 3.49Å; D39-F43 WeakPolarHBondContact O-CD2 3.47Å; D39-F43 WeakPolarHBondContact O-CE2 3.38Å
40	P	90.2	Very high	75.9	Confident	101 Å²	101	99.1 Å²	99.1	66%	0.656	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-54.4	-26.4	173.7	-26	35.8	0	0	0	114.1	I38 D42 F43	I38-P40 WeakPolarHBondContact O-CD 3.48Å; P40-D42 PolarHBondContact O-N 3.36Å; P40-F43 PolarHBondContact O-N 3.03Å
41	S	90.6	Very high	78.6	Confident	64 Å²	64	95.4 Å²	95.4	45%	0.448	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-64.7	-23.8	179.2	86.9	0	0	0	0	113	D39 F43 I44	D39-S41 PolarHBondContact O-N 3.43Å; D39-S41 VanDerWaalsContact O-N 3.08Å; D39-S41 WeakPolarHBondContact OD1-CB 3.29Å; D39-S41 PolarHBondContact OD1-N 2.99Å; D39-S41 PolarHBondContact OD1-OG 3.23Å; D39-S41 PolarHBondContact OD2-OG 3.09Å; S41-F43 PolarHBondContact O-N 3.27Å; S41-I44 WeakPolarHBondContact O-CG2 3.28Å
42	D	91.8	Very high	81.3	Confident	80 Å²	80	85.1 Å²	85.1	43%	0.428	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-69.6	-16.7	177.4	-69.2	-28.6	0	0	0	112.8	D39 P40 R55	D39-D42 WeakPolarHBondContact O-CB 3.19Å; D39-D42 PolarHBondContact O-N 3.49Å; P40-D42 PolarHBondContact O-N 3.36Å; D42-R55 VanDerWaalsContact O-CZ 3.22Å; D42-R55 PolarHBondContact O-NE 3.1Å; D42-R55 PolarHBondContact O-NH2 3.14Å
43	F	96.7	Very high	83.8	Confident	28 Å²	28	77.1 Å²	77.1	12%	0.123	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-112.8	19.4	-174.8	-49.7	-80.5	0	0	0	113.8	I38 D39 P40 S41 I60 Q63 Q64 F65 I66	I38-F43 HydrophobicContact CG2-CD2 4.25Å; I38-F43 HydrophobicContact CG2-CE2 3.26Å; I38-F43 HydrophobicContact CG2-CZ 3.79Å; D39-F43 WeakPolarHBondContact O-CD2 3.47Å; D39-F43 WeakPolarHBondContact O-CE2 3.38Å; P40-F43 PolarHBondContact O-N 3.03Å; S41-F43 PolarHBondContact O-N 3.27Å; F43-I60 HydrophobicContact CD1-CG2 4.36Å; F43-I60 WeakPolarHBondContact CE1-O 3.29Å; F43-Q63 HydrophobicContact CD1-CB 3.5Å; F43-Q63 HydrophobicContact CD1-CG 3.99Å; F43-Q63 HydrophobicContact CE1-CB 3.52Å; F43-Q63 HydrophobicContact CE1-CG 3.46Å; F43-Q63 VanDerWaalsContact CE1-CG 3.46Å; F43-Q63 HydrophobicContact CE2-CG 4.39Å; F43-Q63 HydrophobicContact CG-CB 4.13Å; F43-Q63 HydrophobicContact CZ-CB 4.18Å; F43-Q63 HydrophobicContact CZ-CG 3.7Å; F43-Q64 VanDerWaalsContact CB-O 3.28Å; F43-Q64 WeakPolarHBondContact CB-O 3.36Å; F43-F65 HydrophobicContact CB-CD2 4.13Å; F43-F65 HydrophobicContact CB-CE2 4.46Å; F43-F65 HydrophobicContact CD1-CD2 4.41Å; F43-F65 WeakPolarHBondContact O-CA 2.78Å; F43-I66 PolarHBondContact O-N 3.22Å
44	I	97.1	Very high	86.4	Confident	60 Å²	60	72.6 Å²	72.6	31%	0.308	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	134	177.7	-172.5	166.3	0	0	0	111.3	S41 T46 I66	S41-I44 WeakPolarHBondContact O-CG2 3.28Å; I44-T46 HydrophobicContact CD1-CG2 4.18Å; I44-T46 HydrophobicContact CG1-CG2 4.19Å; I44-I66 CarbonylContact C-O 3.47Å; I44-I66 VanDerWaalsContact CA-O 3.3Å; I44-I66 WeakPolarHBondContact CA-O 3.47Å; I44-I66 HydrophobicContact CB-CB 4.5Å; I44-I66 HydrophobicContact CD1-CB 4.42Å; I44-I66 HydrophobicContact CD1-CG2 4.2Å; I44-I66 HydrophobicContact CG1-CB 4.14Å; I44-I66 HydrophobicContact CG1-CG2 4.22Å
45	I	96.7	Very high	88.9	Confident	6 Å²	6	70.7 Å²	70.7	3%	0.031	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	108.2	165	-66.9	171.1	0	0	0	106.7	K48 F65 I66 I67 Q68 I75 L77	I45-K48 HydrophobicContact CG2-CG 3.7Å; I45-F65 HydrophobicContact CB-CE1 4.29Å; I45-F65 HydrophobicContact CD1-CE1 3.83Å; I45-F65 HydrophobicContact CD1-CZ 3.86Å; I45-F65 HydrophobicContact CG1-CE1 3.8Å; I45-F65 HydrophobicContact CG1-CZ 3.83Å; I45-I66 PolarHBondContact N-O 2.97Å; I45-I67 CarbonylContact O-C 3.51Å; I45-I67 VanDerWaalsContact O-CA 3.28Å; I45-I67 WeakPolarHBondContact O-CA 3.19Å; I45-Q68 PolarHBondContact O-N 3.46Å; I45-I75 HydrophobicContact CD1-CG2 3.79Å; I45-I75 HydrophobicContact CG2-CD1 4.13Å; I45-L77 HydrophobicContact CD1-CD2 4.07Å
46	T	97	Very high	91.1	Very high	41 Å²	41	61.6 Å²	61.6	25%	0.252	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	153.6	-178.4	-173.2	0	0	0	0	112.7	I44 K48 Q68	I44-T46 HydrophobicContact CD1-CG2 4.18Å; I44-T46 HydrophobicContact CG1-CG2 4.19Å; T46-K48 PolarHBondContact O-N 3.29Å; T46-Q68 CarbonylContact C-O 3.57Å; T46-Q68 WeakPolarHBondContact CA-O 3.4Å; T46-Q68 PolarHBondContact OG1-O 3.34Å
47	N	96.2	Very high	92.6	Very high	107 Å²	107	59.7 Å²	59.7	57%	0.572	33%	0.331	S	S	*	.	S	Bend	trans	57.7	43.3	172.1	-54.7	-52	0	0	0	113.4	Q68 N69	N47-Q68 PolarHBondContact N-O 2.86Å; N47-Q68 VanDerWaalsContact N-O 3.09Å; N47-N69 VanDerWaalsContact CA-O 3.27Å; N47-N69 WeakPolarHBondContact CA-O 3.37Å; N47-N69 PolarHBondContact N-O 3.31Å; N47-N69 PolarHBondContact OD1-ND2 2.99Å
48	K	94.2	Very high	93.5	Very high	70 Å²	70	52.9 Å²	52.9	30%	0.304	31%	0.312	S	S	.	.			trans	-97.3	142.1	177.2	-57.2	-50.5	-173.9	-178.3	0	111.2	I45 T46 Y53 C70 K71	I45-K48 HydrophobicContact CG2-CG 3.7Å; T46-K48 PolarHBondContact O-N 3.29Å; K48-Y53 HydrophobicContact CB-CD2 4.06Å; K48-Y53 HydrophobicContact CB-CE2 3.53Å; K48-Y53 HydrophobicContact CD-CD1 4.35Å; K48-Y53 HydrophobicContact CD-CD2 4.46Å; K48-Y53 HydrophobicContact CD-CE1 3.85Å; K48-Y53 HydrophobicContact CD-CE2 3.95Å; K48-Y53 HydrophobicContact CG-CD1 4.5Å; K48-Y53 HydrophobicContact CG-CD2 3.87Å; K48-Y53 HydrophobicContact CG-CE1 4.3Å; K48-Y53 HydrophobicContact CG-CE2 3.62Å; K48-Y53 HydrophobicContact CG-CG 4.3Å; K48-C70 HydrophobicContact CB-CB 4.28Å; K48-C70 CarbonylContact O-C 3.45Å; K48-C70 VanDerWaalsContact O-CA 3.25Å; K48-C70 WeakPolarHBondContact O-CA 3.39Å; K48-K71 PolarHBondContact O-N 2.96Å
49	C	93.2	Very high	94	Very high	104 Å²	104	51.6 Å²	51.6	70%	0.703	30%	0.304	S	S	*	.	B	Isolated β-bridge	trans	-140	111.6	176.2	-173.9	0	0	0	0	108.8	K71	C49-K71 CarbonylContact C-O 3.5Å; C49-K71 VanDerWaalsContact CA-O 3.22Å; C49-K71 WeakPolarHBondContact CA-O 3.32Å
50	G	90.5	Very high	94.4	Very high	7 Å²	7	47.8 Å²	47.8	7%	0.072	28%	0.284	C	S	.	.	S	Bend	trans	80.7	174.5	-167.8	0	0	0	0	0	112.5	Y53 K71 N72 S73	G50-Y53 VanDerWaalsContact O-CE2 3.28Å; G50-Y53 WeakPolarHBondContact O-CE2 3.19Å; G50-K71 PolarHBondContact N-O 3.19Å; G50-N72 CarbonylContact C-O 3.56Å; G50-N72 WeakPolarHBondContact CA-O 3.4Å; G50-N72 PolarHBondContact N-O 3.41Å; G50-S73 PolarHBondContact N-OG 3.29Å; G50-S73 PolarHBondContact O-OG 3.16Å
51	G	91.1	Very high	94.7	Very high	6 Å²	6	48.1 Å²	48.1	6%	0.062	28%	0.28	C	S	.	.	S	Bend	trans	79.9	-179.3	166.5	0	0	0	0	0	116.5	Y74 E214	G51-Y74 PolarHBondContact O-N 2.95Å; G51-E214 PolarHBondContact N-OE2 3.2Å
52	I	93.5	Very high	95	Very high	5 Å²	5	46 Å²	46	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130	-174.2	-59.5	156.7	0	0	0	108.4	Y74 Y76 A210 L211 L230 L233 M234	I52-Y74 CarbonylContact C-O 3.57Å; I52-Y74 WeakPolarHBondContact CA-O 3.44Å; I52-Y74 HydrophobicContact CG1-CD2 4.05Å; I52-Y74 HydrophobicContact CG1-CG 4.35Å; I52-Y76 HydrophobicContact CG2-CD2 3.95Å; I52-Y76 HydrophobicContact CG2-CE2 3.81Å; I52-A210 HydrophobicContact CD1-CB 3.88Å; I52-A210 HydrophobicContact CG1-CB 4.08Å; I52-L211 HydrophobicContact CD1-CB 3.7Å; I52-L211 HydrophobicContact CD1-CD1 4.22Å; I52-L211 VanDerWaalsContact CD1-N 3.26Å; I52-L230 HydrophobicContact CB-CD2 3.56Å; I52-L230 HydrophobicContact CG2-CD2 3.67Å; I52-L230 WeakPolarHBondContact O-CD2 3.4Å; I52-L233 HydrophobicContact CG2-CD2 3.8Å; I52-M234 HydrophobicContact CG2-CE 4.04Å
53	Y	94.4	Very high	95.3	Very high	45 Å²	45	46 Å²	46	18%	0.176	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	161.3	-179.5	-53.1	-79.6	0	0	0	109.6	K48 G50 Y74 I75 Y76	K48-Y53 HydrophobicContact CB-CD2 4.06Å; K48-Y53 HydrophobicContact CB-CE2 3.53Å; K48-Y53 HydrophobicContact CD-CD1 4.35Å; K48-Y53 HydrophobicContact CD-CD2 4.46Å; K48-Y53 HydrophobicContact CD-CE1 3.85Å; K48-Y53 HydrophobicContact CD-CE2 3.95Å; K48-Y53 HydrophobicContact CG-CD1 4.5Å; K48-Y53 HydrophobicContact CG-CD2 3.87Å; K48-Y53 HydrophobicContact CG-CE1 4.3Å; K48-Y53 HydrophobicContact CG-CE2 3.62Å; K48-Y53 HydrophobicContact CG-CG 4.3Å; G50-Y53 VanDerWaalsContact O-CE2 3.28Å; G50-Y53 WeakPolarHBondContact O-CE2 3.19Å; Y53-Y74 PolarHBondContact N-O 3.38Å; Y53-I75 CarbonylContact O-C 3.57Å; Y53-I75 VanDerWaalsContact O-CA 3.3Å; Y53-I75 WeakPolarHBondContact O-CA 3.49Å; Y53-Y76 PolarHBondContact O-N 3.28Å
54	G	95	Very high	95.4	Very high	12 Å²	12	49.2 Å²	49.2	12%	0.124	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.5	-176.4	178	0	0	0	0	0	114.9	Y76	G54-Y76 CarbonylContact C-O 3.55Å; G54-Y76 WeakPolarHBondContact CA-O 3.46Å
55	R	95.6	Very high	95.5	Very high	32 Å²	32	46.3 Å²	46.3	12%	0.121	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.6	168.7	-65.5	-65.4	-179.2	-88.6	0.6	108.9	D42 E59 I60 F65 Y76 L77 L78	D42-R55 VanDerWaalsContact O-CZ 3.22Å; D42-R55 PolarHBondContact O-NE 3.1Å; D42-R55 PolarHBondContact O-NH2 3.14Å; R55-E59 WeakPolarHBondContact CA-OE2 3.19Å; R55-E59 HydrophobicContact CB-CB 4.16Å; R55-E59 VanDerWaalsContact CD-OE2 3.28Å; R55-E59 WeakPolarHBondContact CD-OE2 3.37Å; R55-I60 HydrophobicContact CB-CD1 3.86Å; R55-I60 HydrophobicContact CB-CG1 3.64Å; R55-I60 HydrophobicContact CG-CD1 4.11Å; R55-I60 HydrophobicContact CG-CG1 3.77Å; R55-F65 HydrophobicContact CG-CE2 3.6Å; R55-F65 HydrophobicContact CG-CZ 3.9Å; R55-Y76 PolarHBondContact N-O 2.88Å; R55-L77 HydrophobicContact CB-CD2 4.18Å; R55-L77 HydrophobicContact CG-CD2 4.02Å; R55-L78 PolarHBondContact O-N 3.35Å
56	I	94.8	Very high	95.6	Very high	46 Å²	46	48.5 Å²	48.5	24%	0.236	28%	0.277	C	S	.	.			trans	-99.4	171.4	175.4	67.5	171.7	0	0	0	110.6	G58 E59 P232 L233 I236	I56-G58 PolarHBondContact O-N 3.05Å; I56-E59 HydrophobicContact CG1-CG 3.88Å; I56-E59 PolarHBondContact N-OE2 2.6Å; I56-E59 WeakPolarHBondContact O-CB 3.38Å; I56-E59 PolarHBondContact O-N 3.09Å; I56-E59 VanDerWaalsContact O-N 3.12Å; I56-P232 HydrophobicContact CD1-CB 3.92Å; I56-P232 HydrophobicContact CG2-CB 4.4Å; I56-L233 HydrophobicContact CG2-CB 4.49Å; I56-L233 HydrophobicContact CG2-CD1 4.34Å; I56-I236 HydrophobicContact CB-CD1 3.82Å; I56-I236 HydrophobicContact CG2-CD1 3.4Å
57	S	95.9	Very high	95.7	Very high	65 Å²	65	46.6 Å²	46.6	46%	0.455	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	126.9	179.7	-177.3	0	0	0	0	111.7	L78 H161	S57-L78 PolarHBondContact N-O 3.3Å; S57-H161 PolarHBondContact OG-CE1 2.8Å; S57-H161 VanDerWaalsContact OG-CE1 3.32Å; S57-H161 PolarHBondContact OG-NE2 2.57Å
58	G	95.3	Very high	95.8	Very high	49 Å²	49	44.7 Å²	44.7	51%	0.505	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-13.1	179.5	0	0	0	0	0	115.1	I56 D79	I56-G58 PolarHBondContact O-N 3.05Å; G58-D79 WeakPolarHBondContact CA-OD2 3.48Å; G58-D79 PolarHBondContact N-OD2 3.28Å
59	E	94.8	Very high	96	Very high	76 Å²	76	44.4 Å²	44.4	36%	0.355	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-30.8	-179.2	-65.6	-176.5	157.7	0	0	113.5	R55 I56 D79	R55-E59 WeakPolarHBondContact CA-OE2 3.19Å; R55-E59 HydrophobicContact CB-CB 4.16Å; R55-E59 VanDerWaalsContact CD-OE2 3.28Å; R55-E59 WeakPolarHBondContact CD-OE2 3.37Å; I56-E59 HydrophobicContact CG1-CG 3.88Å; I56-E59 PolarHBondContact N-OE2 2.6Å; I56-E59 WeakPolarHBondContact O-CB 3.38Å; I56-E59 PolarHBondContact O-N 3.09Å; I56-E59 VanDerWaalsContact O-N 3.12Å; E59-D79 PolarHBondContact N-OD2 2.95Å
60	I	97.4	Very high	96.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-89.9	-41.8	174.6	-56.1	178.3	0	0	0	110	F43 R55 G62 Q63 F65 L77 D79	F43-I60 HydrophobicContact CD1-CG2 4.36Å; F43-I60 WeakPolarHBondContact CE1-O 3.29Å; R55-I60 HydrophobicContact CB-CD1 3.86Å; R55-I60 HydrophobicContact CB-CG1 3.64Å; R55-I60 HydrophobicContact CG-CD1 4.11Å; R55-I60 HydrophobicContact CG-CG1 3.77Å; I60-G62 VanDerWaalsContact C-N 3.27Å; I60-G62 PolarHBondContact O-N 3.26Å; I60-G62 VanDerWaalsContact O-N 3.16Å; I60-Q63 HydrophobicContact CG2-CB 4.4Å; I60-Q63 WeakPolarHBondContact O-CB 3.35Å; I60-Q63 VanDerWaalsContact O-CG 3.3Å; I60-Q63 WeakPolarHBondContact O-CG 3.32Å; I60-Q63 PolarHBondContact O-N 3.03Å; I60-F65 HydrophobicContact CD1-CD2 3.71Å; I60-F65 HydrophobicContact CD1-CE2 4.08Å; I60-F65 HydrophobicContact CD1-CG 4.32Å; I60-F65 HydrophobicContact CG1-CD2 3.84Å; I60-F65 HydrophobicContact CG1-CE2 4.05Å; I60-F65 HydrophobicContact CG2-CD2 4.25Å; I60-L77 HydrophobicContact CD1-CB 3.82Å; I60-L77 HydrophobicContact CD1-CD1 4.38Å; I60-L77 HydrophobicContact CD1-CD2 4.18Å; I60-L77 HydrophobicContact CD1-CG 4.33Å; I60-D79 HydrophobicContact CB-CB 4.04Å; I60-D79 HydrophobicContact CD1-CB 4.27Å; I60-D79 HydrophobicContact CG1-CB 4.19Å; I60-D79 PolarHBondContact N-OD2 2.87Å
61	N	96.9	Very high	96.5	Very high	107 Å²	107	43.9 Å²	43.9	57%	0.572	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.1	47.3	174.5	-164.5	25.6	0	0	0	113.6	Q63 D79	N61-Q63 VanDerWaalsContact C-N 3.31Å; N61-Q63 PolarHBondContact O-N 2.69Å; N61-D79 PolarHBondContact N-OD2 2.82Å
62	G	97.7	Very high	96.8	Very high	20 Å²	20	46 Å²	46	21%	0.206	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	15.9	176.5	0	0	0	0	0	115.1	I60 H80 M82	I60-G62 VanDerWaalsContact C-N 3.27Å; I60-G62 PolarHBondContact O-N 3.26Å; I60-G62 VanDerWaalsContact O-N 3.16Å; G62-H80 WeakPolarHBondContact CA-O 3.39Å; G62-H80 PolarHBondContact N-NE2 2.92Å; G62-H80 PolarHBondContact N-O 3.43Å; G62-M82 VanDerWaalsContact O-CB 3.27Å; G62-M82 WeakPolarHBondContact O-CB 3.43Å
63	Q	97.9	Very high	96.9	Very high	80 Å²	80	45.8 Å²	45.8	37%	0.374	25%	0.247	S	C	.	.			trans	-77.1	165	168.4	-61.4	-50.1	-55.5	0	0	111.9	F43 I60 N61 S81 M82	F43-Q63 HydrophobicContact CD1-CB 3.5Å; F43-Q63 HydrophobicContact CD1-CG 3.99Å; F43-Q63 HydrophobicContact CE1-CB 3.52Å; F43-Q63 HydrophobicContact CE1-CG 3.46Å; F43-Q63 VanDerWaalsContact CE1-CG 3.46Å; F43-Q63 HydrophobicContact CE2-CG 4.39Å; F43-Q63 HydrophobicContact CG-CB 4.13Å; F43-Q63 HydrophobicContact CZ-CB 4.18Å; F43-Q63 HydrophobicContact CZ-CG 3.7Å; I60-Q63 HydrophobicContact CG2-CB 4.4Å; I60-Q63 WeakPolarHBondContact O-CB 3.35Å; I60-Q63 VanDerWaalsContact O-CG 3.3Å; I60-Q63 WeakPolarHBondContact O-CG 3.32Å; I60-Q63 PolarHBondContact O-N 3.03Å; N61-Q63 VanDerWaalsContact C-N 3.31Å; N61-Q63 PolarHBondContact O-N 2.69Å; Q63-S81 WeakPolarHBondContact O-CA 3.47Å; Q63-M82 PolarHBondContact O-N 3.36Å
64	Q	98.2	Very high	97	Very high	95 Å²	95	44.9 Å²	44.9	44%	0.444	24%	0.244	S	C	.	.			trans	-66.6	142.1	166.1	164.8	168.1	2.7	0	0	109.7	F43 I66 T83	F43-Q64 VanDerWaalsContact CB-O 3.28Å; F43-Q64 WeakPolarHBondContact CB-O 3.36Å; Q64-I66 HydrophobicContact CG-CG1 4.48Å; Q64-T83 WeakPolarHBondContact CA-O 3.29Å; Q64-T83 VanDerWaalsContact CB-OG1 3.29Å; Q64-T83 WeakPolarHBondContact CB-OG1 3.14Å; Q64-T83 WeakPolarHBondContact CG-OG1 3.49Å
65	F	98.7	Very high	97.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.5	174.8	-150.8	-84.5	0	0	0	111.8	F43 I45 R55 I60 I67 L77 T83 I84 T85	F43-F65 HydrophobicContact CB-CD2 4.13Å; F43-F65 HydrophobicContact CB-CE2 4.46Å; F43-F65 HydrophobicContact CD1-CD2 4.41Å; F43-F65 WeakPolarHBondContact O-CA 2.78Å; I45-F65 HydrophobicContact CB-CE1 4.29Å; I45-F65 HydrophobicContact CD1-CE1 3.83Å; I45-F65 HydrophobicContact CD1-CZ 3.86Å; I45-F65 HydrophobicContact CG1-CE1 3.8Å; I45-F65 HydrophobicContact CG1-CZ 3.83Å; R55-F65 HydrophobicContact CG-CE2 3.6Å; R55-F65 HydrophobicContact CG-CZ 3.9Å; I60-F65 HydrophobicContact CD1-CD2 3.71Å; I60-F65 HydrophobicContact CD1-CE2 4.08Å; I60-F65 HydrophobicContact CD1-CG 4.32Å; I60-F65 HydrophobicContact CG1-CD2 3.84Å; I60-F65 HydrophobicContact CG1-CE2 4.05Å; I60-F65 HydrophobicContact CG2-CD2 4.25Å; F65-I67 HydrophobicContact CD1-CG1 4.14Å; F65-I67 HydrophobicContact CE1-CG1 4.19Å; F65-L77 HydrophobicContact CB-CD1 4.29Å; F65-L77 HydrophobicContact CD1-CD1 3.39Å; F65-L77 HydrophobicContact CD1-CD2 4.1Å; F65-L77 HydrophobicContact CD1-CG 4.4Å; F65-L77 HydrophobicContact CD2-CD1 4.48Å; F65-L77 HydrophobicContact CE1-CD1 3.76Å; F65-L77 HydrophobicContact CE1-CD2 3.6Å; F65-L77 HydrophobicContact CE1-CG 4.34Å; F65-L77 HydrophobicContact CE2-CD2 4.13Å; F65-L77 HydrophobicContact CG-CD1 3.79Å; F65-L77 HydrophobicContact CZ-CD1 4.44Å; F65-L77 HydrophobicContact CZ-CD2 3.62Å; F65-T83 PolarHBondContact N-O 2.88Å; F65-I84 HydrophobicContact CB-CG1 4.25Å; F65-I84 WeakPolarHBondContact O-CA 3.49Å; F65-T85 PolarHBondContact O-N 3.3Å; F65-T85 VanDerWaalsContact O-N 3.08Å
66	I	98.7	Very high	97.1	Very high	52 Å²	52	42.8 Å²	42.8	27%	0.267	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131	180	-60.7	173.2	0	0	0	109.7	F43 I44 I45 Q64 Q68 T85	F43-I66 PolarHBondContact O-N 3.22Å; I44-I66 CarbonylContact C-O 3.47Å; I44-I66 VanDerWaalsContact CA-O 3.3Å; I44-I66 WeakPolarHBondContact CA-O 3.47Å; I44-I66 HydrophobicContact CB-CB 4.5Å; I44-I66 HydrophobicContact CD1-CB 4.42Å; I44-I66 HydrophobicContact CD1-CG2 4.2Å; I44-I66 HydrophobicContact CG1-CB 4.14Å; I44-I66 HydrophobicContact CG1-CG2 4.22Å; I45-I66 PolarHBondContact N-O 2.97Å; Q64-I66 HydrophobicContact CG-CG1 4.48Å; I66-Q68 HydrophobicContact CG2-CB 4.38Å; I66-T85 WeakPolarHBondContact CA-O 3.31Å
67	I	98.7	Very high	97.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.2	168.6	-58.7	168.9	0	0	0	107.2	I45 F65 C70 I75 L77 T85 I86 D87 I94	I45-I67 CarbonylContact O-C 3.51Å; I45-I67 VanDerWaalsContact O-CA 3.28Å; I45-I67 WeakPolarHBondContact O-CA 3.19Å; F65-I67 HydrophobicContact CD1-CG1 4.14Å; F65-I67 HydrophobicContact CE1-CG1 4.19Å; I67-C70 HydrophobicContact CG2-CB 4.43Å; I67-I75 HydrophobicContact CD1-CB 4.5Å; I67-I75 HydrophobicContact CD1-CD1 4.31Å; I67-I75 HydrophobicContact CD1-CG2 3.73Å; I67-I75 HydrophobicContact CG1-CG2 4.41Å; I67-I75 HydrophobicContact CG2-CD1 3.48Å; I67-I75 VanDerWaalsContact CG2-CD1 3.48Å; I67-L77 HydrophobicContact CD1-CD1 4Å; I67-T85 PolarHBondContact N-O 3.28Å; I67-I86 HydrophobicContact CB-CG1 4.18Å; I67-I86 HydrophobicContact CB-CG2 4.34Å; I67-I86 HydrophobicContact CD1-CD1 4.36Å; I67-I86 HydrophobicContact CD1-CG1 4.18Å; I67-I86 HydrophobicContact CG2-CG2 4.37Å; I67-I86 CarbonylContact O-C 3.6Å; I67-I86 VanDerWaalsContact O-CA 3.27Å; I67-I86 WeakPolarHBondContact O-CA 3.28Å; I67-D87 PolarHBondContact O-N 2.75Å; I67-I94 HydrophobicContact CD1-CD1 4.47Å; I67-I94 HydrophobicContact CD1-CG2 3.75Å
68	Q	98.6	Very high	97.4	Very high	68 Å²	68	37.6 Å²	37.6	32%	0.318	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	140.6	-176.3	-174.1	170.3	30.1	0	0	113.5	I45 T46 N47 I66 C70 D87 D88	I45-Q68 PolarHBondContact O-N 3.46Å; T46-Q68 CarbonylContact C-O 3.57Å; T46-Q68 WeakPolarHBondContact CA-O 3.4Å; T46-Q68 PolarHBondContact OG1-O 3.34Å; N47-Q68 PolarHBondContact N-O 2.86Å; N47-Q68 VanDerWaalsContact N-O 3.09Å; I66-Q68 HydrophobicContact CG2-CB 4.38Å; Q68-C70 VanDerWaalsContact C-N 3.29Å; Q68-C70 PolarHBondContact O-N 3.47Å; Q68-C70 PolarHBondContact O-SG 3.43Å; Q68-C70 VanDerWaalsContact O-SG 3.36Å; Q68-D87 CarbonylContact C-O 3.6Å; Q68-D87 VanDerWaalsContact CA-O 3.28Å; Q68-D87 WeakPolarHBondContact CA-O 3.48Å; Q68-D87 HydrophobicContact CG-CB 4.09Å; Q68-D88 PolarHBondContact NE2-OD2 3.49Å
69	N	98.5	Very high	97.5	Very high	63 Å²	63	35.3 Å²	35.3	34%	0.337	18%	0.176	S	C	.	.	S	Bend	trans	52.8	45.6	173	-169.8	34.2	0	0	0	112.7	N47 D87 D88	N47-N69 VanDerWaalsContact CA-O 3.27Å; N47-N69 WeakPolarHBondContact CA-O 3.37Å; N47-N69 PolarHBondContact N-O 3.31Å; N47-N69 PolarHBondContact OD1-ND2 2.99Å; N69-D87 PolarHBondContact N-O 2.67Å; N69-D88 WeakPolarHBondContact CA-O 3.35Å
70	C	98.2	Very high	97.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.			trans	-104.5	142.3	177.7	-63.8	0	0	0	0	110.8	K48 I67 Q68 I75 C89 S90 C92	K48-C70 HydrophobicContact CB-CB 4.28Å; K48-C70 CarbonylContact O-C 3.45Å; K48-C70 VanDerWaalsContact O-CA 3.25Å; K48-C70 WeakPolarHBondContact O-CA 3.39Å; I67-C70 HydrophobicContact CG2-CB 4.43Å; Q68-C70 VanDerWaalsContact C-N 3.29Å; Q68-C70 PolarHBondContact O-N 3.47Å; Q68-C70 PolarHBondContact O-SG 3.43Å; Q68-C70 VanDerWaalsContact O-SG 3.36Å; C70-I75 HydrophobicContact CB-CD1 4.17Å; C70-C89 CarbonylContact O-C 3.47Å; C70-C89 WeakPolarHBondContact O-CA 3.32Å; C70-S90 PolarHBondContact O-N 3.03Å; C70-C92 PolarHBondContact O-SG 3.29Å
71	K	97.6	Very high	97.7	Very high	101 Å²	101	33.1 Å²	33.1	44%	0.439	17%	0.166	S	C	.	.	B	Isolated β-bridge	trans	-136.7	133.8	-176.1	-61.7	-174.5	-178.9	173.8	0	112.2	K48 C49 G50 S73 S90	K48-K71 PolarHBondContact O-N 2.96Å; C49-K71 CarbonylContact C-O 3.5Å; C49-K71 VanDerWaalsContact CA-O 3.22Å; C49-K71 WeakPolarHBondContact CA-O 3.32Å; G50-K71 PolarHBondContact N-O 3.19Å; K71-S73 PolarHBondContact O-N 2.86Å; K71-S73 PolarHBondContact O-OG 2.82Å; K71-S73 VanDerWaalsContact O-OG 3.13Å; K71-S90 CarbonylContact C-O 3.59Å; K71-S90 WeakPolarHBondContact CA-O 3.16Å
72	N	95.5	Very high	97.8	Very high	49 Å²	49	32.8 Å²	32.8	26%	0.262	16%	0.162	S	C	.	.	S	Bend	trans	51.4	41.6	177.8	-172.8	90.9	0	0	0	111.5	G50 S90 D91 K219	G50-N72 CarbonylContact C-O 3.56Å; G50-N72 WeakPolarHBondContact CA-O 3.4Å; G50-N72 PolarHBondContact N-O 3.41Å; N72-S90 PolarHBondContact N-O 2.92Å; N72-D91 WeakPolarHBondContact CA-O 3.19Å; N72-D91 HydrophobicContact CB-CB 4.46Å; N72-D91 PolarHBondContact N-O 2.93Å; N72-K219 PolarHBondContact OD1-NZ 2.96Å
73	S	95.8	Very high	97.9	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	16%	0.158	C	C	.	.			trans	-122.6	146.9	-174.8	-61.2	0	0	0	0	111.5	G50 K71 C92 T93	G50-S73 PolarHBondContact N-OG 3.29Å; G50-S73 PolarHBondContact O-OG 3.16Å; K71-S73 PolarHBondContact O-N 2.86Å; K71-S73 PolarHBondContact O-OG 2.82Å; K71-S73 VanDerWaalsContact O-OG 3.13Å; S73-C92 VanDerWaalsContact O-CA 3.29Å; S73-C92 WeakPolarHBondContact O-CA 3.24Å; S73-T93 PolarHBondContact O-N 2.82Å
74	Y	96.2	Very high	97.9	Very high	27 Å²	27	29 Å²	29	11%	0.106	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.2	169.3	-59.3	-90.7	0	0	0	109.5	G51 I52 Y53 T93 L205 A210 H213 E214	G51-Y74 PolarHBondContact O-N 2.95Å; I52-Y74 CarbonylContact C-O 3.57Å; I52-Y74 WeakPolarHBondContact CA-O 3.44Å; I52-Y74 HydrophobicContact CG1-CD2 4.05Å; I52-Y74 HydrophobicContact CG1-CG 4.35Å; Y53-Y74 PolarHBondContact N-O 3.38Å; Y74-T93 CarbonylContact C-O 3.56Å; Y74-T93 WeakPolarHBondContact CA-O 3.31Å; Y74-T93 HydrophobicContact CD1-CG2 4.3Å; Y74-L205 HydrophobicContact CE1-CB 4.33Å; Y74-L205 HydrophobicContact CE1-CD1 3.93Å; Y74-L205 HydrophobicContact CE1-CG 4.32Å; Y74-A210 HydrophobicContact CD1-CB 3.75Å; Y74-A210 HydrophobicContact CD2-CB 3.9Å; Y74-A210 HydrophobicContact CE1-CB 4.01Å; Y74-A210 HydrophobicContact CE2-CB 4.14Å; Y74-A210 HydrophobicContact CG-CB 3.7Å; Y74-H213 PolarHBondContact OH-CE1 2.87Å; Y74-H213 PolarHBondContact OH-ND1 3.41Å; Y74-H213 VanDerWaalsContact OH-ND1 3.12Å; Y74-E214 HydrophobicContact CD2-CG 4.25Å; Y74-E214 HydrophobicContact CE2-CG 3.99Å
75	I	97.2	Very high	97.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	120.7	-176.6	-58	173.1	0	0	0	109.3	I45 Y53 I67 C70 L77 T93 I94 V95	I45-I75 HydrophobicContact CD1-CG2 3.79Å; I45-I75 HydrophobicContact CG2-CD1 4.13Å; Y53-I75 CarbonylContact O-C 3.57Å; Y53-I75 VanDerWaalsContact O-CA 3.3Å; Y53-I75 WeakPolarHBondContact O-CA 3.49Å; I67-I75 HydrophobicContact CD1-CB 4.5Å; I67-I75 HydrophobicContact CD1-CD1 4.31Å; I67-I75 HydrophobicContact CD1-CG2 3.73Å; I67-I75 HydrophobicContact CG1-CG2 4.41Å; I67-I75 HydrophobicContact CG2-CD1 3.48Å; I67-I75 VanDerWaalsContact CG2-CD1 3.48Å; C70-I75 HydrophobicContact CB-CD1 4.17Å; I75-L77 HydrophobicContact CG2-CD2 4.19Å; I75-L77 HydrophobicContact CG2-CG 4.24Å; I75-T93 PolarHBondContact N-O 3.27Å; I75-I94 HydrophobicContact CB-CG1 4.34Å; I75-I94 HydrophobicContact CB-CG2 4.5Å; I75-I94 CarbonylContact O-C 3.56Å; I75-I94 WeakPolarHBondContact O-CA 3.24Å; I75-V95 PolarHBondContact O-N 3.17Å
76	Y	97.5	Very high	98	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	106.1	-177	-59	-90.2	0	0	0	110.6	I52 Y53 G54 R55 V95 L205 T206 P207 A210 L233 L238	I52-Y76 HydrophobicContact CG2-CD2 3.95Å; I52-Y76 HydrophobicContact CG2-CE2 3.81Å; Y53-Y76 PolarHBondContact O-N 3.28Å; G54-Y76 CarbonylContact C-O 3.55Å; G54-Y76 WeakPolarHBondContact CA-O 3.46Å; R55-Y76 PolarHBondContact N-O 2.88Å; Y76-V95 CarbonylContact C-O 3.52Å; Y76-V95 WeakPolarHBondContact CA-O 3.31Å; Y76-V95 HydrophobicContact CD1-CB 3.81Å; Y76-V95 HydrophobicContact CD1-CG1 4.48Å; Y76-V95 HydrophobicContact CD1-CG2 3.99Å; Y76-V95 HydrophobicContact CE1-CB 4.27Å; Y76-V95 HydrophobicContact CE1-CG2 3.93Å; Y76-L205 WeakPolarHBondContact CE1-O 3.24Å; Y76-L205 PolarHBondContact OH-O 3.37Å; Y76-T206 PolarHBondContact OH-O 3.03Å; Y76-P207 HydrophobicContact CD1-CG 3.88Å; Y76-P207 HydrophobicContact CD2-CB 4.41Å; Y76-P207 HydrophobicContact CD2-CG 4.12Å; Y76-P207 HydrophobicContact CE1-CG 3.92Å; Y76-P207 HydrophobicContact CE2-CB 4.18Å; Y76-P207 HydrophobicContact CE2-CG 4.11Å; Y76-P207 HydrophobicContact CG-CG 4Å; Y76-A210 WeakPolarHBondContact OH-CB 3.38Å; Y76-L233 HydrophobicContact CD2-CD2 3.94Å; Y76-L233 HydrophobicContact CG-CD1 4.45Å; Y76-L233 HydrophobicContact CG-CD2 4.42Å; Y76-L238 HydrophobicContact CD1-CD2 3.99Å; Y76-L238 HydrophobicContact CE1-CD2 4.05Å
77	L	97.8	Very high	98	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	80.5	177	-57.5	-175.8	0	0	0	109.1	I45 R55 I60 F65 I67 I75 D79 I84 V95 T96 G97	I45-L77 HydrophobicContact CD1-CD2 4.07Å; R55-L77 HydrophobicContact CB-CD2 4.18Å; R55-L77 HydrophobicContact CG-CD2 4.02Å; I60-L77 HydrophobicContact CD1-CB 3.82Å; I60-L77 HydrophobicContact CD1-CD1 4.38Å; I60-L77 HydrophobicContact CD1-CD2 4.18Å; I60-L77 HydrophobicContact CD1-CG 4.33Å; F65-L77 HydrophobicContact CB-CD1 4.29Å; F65-L77 HydrophobicContact CD1-CD1 3.39Å; F65-L77 HydrophobicContact CD1-CD2 4.1Å; F65-L77 HydrophobicContact CD1-CG 4.4Å; F65-L77 HydrophobicContact CD2-CD1 4.48Å; F65-L77 HydrophobicContact CE1-CD1 3.76Å; F65-L77 HydrophobicContact CE1-CD2 3.6Å; F65-L77 HydrophobicContact CE1-CG 4.34Å; F65-L77 HydrophobicContact CE2-CD2 4.13Å; F65-L77 HydrophobicContact CG-CD1 3.79Å; F65-L77 HydrophobicContact CZ-CD1 4.44Å; F65-L77 HydrophobicContact CZ-CD2 3.62Å; I67-L77 HydrophobicContact CD1-CD1 4Å; I75-L77 HydrophobicContact CG2-CD2 4.19Å; I75-L77 HydrophobicContact CG2-CG 4.24Å; L77-D79 PolarHBondContact O-N 3.43Å; L77-I84 HydrophobicContact CD1-CD1 3.99Å; L77-V95 PolarHBondContact N-O 2.78Å; L77-T96 HydrophobicContact CB-CG2 4.2Å; L77-T96 HydrophobicContact CD1-CG2 4.26Å; L77-T96 HydrophobicContact CG-CG2 4.47Å; L77-T96 CarbonylContact O-C 3.39Å; L77-T96 WeakPolarHBondContact O-CA 3.06Å; L77-G97 PolarHBondContact O-N 3.47Å
78	L	97.5	Very high	98	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.133	C	C	.	.			trans	-87.5	47.1	-170.4	-54.2	-175.7	0	0	0	112.6	R55 S57 V95 Y155 H161 L233 I236 L238	R55-L78 PolarHBondContact O-N 3.35Å; S57-L78 PolarHBondContact N-O 3.3Å; L78-V95 HydrophobicContact CD2-CG1 4.37Å; L78-Y155 HydrophobicContact CB-CD2 4.22Å; L78-Y155 HydrophobicContact CB-CE2 4.03Å; L78-Y155 HydrophobicContact CD2-CD1 4.13Å; L78-Y155 HydrophobicContact CD2-CE1 4.14Å; L78-Y155 VanDerWaalsContact O-CE2 3.26Å; L78-Y155 WeakPolarHBondContact O-CE2 3.25Å; L78-H161 PolarHBondContact O-CE1 3.47Å; L78-L233 HydrophobicContact CD1-CD1 3.85Å; L78-L233 HydrophobicContact CG-CD1 4.37Å; L78-I236 HydrophobicContact CD1-CB 4.24Å; L78-I236 HydrophobicContact CD1-CD1 3.82Å; L78-I236 HydrophobicContact CD1-CG2 3.82Å; L78-L238 HydrophobicContact CD2-CD1 4.35Å
79	D	98.2	Very high	98	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.011	12%	0.119	C	C	.	.	S	Bend	trans	-147.1	166	178.6	-165.3	0.8	0	0	0	109.6	G58 E59 I60 N61 L77 G97 H161	G58-D79 WeakPolarHBondContact CA-OD2 3.48Å; G58-D79 PolarHBondContact N-OD2 3.28Å; E59-D79 PolarHBondContact N-OD2 2.95Å; I60-D79 HydrophobicContact CB-CB 4.04Å; I60-D79 HydrophobicContact CD1-CB 4.27Å; I60-D79 HydrophobicContact CG1-CB 4.19Å; I60-D79 PolarHBondContact N-OD2 2.87Å; N61-D79 PolarHBondContact N-OD2 2.82Å; L77-D79 PolarHBondContact O-N 3.43Å; D79-G97 WeakPolarHBondContact O-CA 3.43Å; D79-H161 IonicContact OD1-CD2 2.6Å; D79-H161 IonicContact OD1-CE1 3.53Å; D79-H161 IonicContact OD1-NE2 3.59Å; D79-H161 PolarHBondContact OD1-NE2 3.32Å
80	H	98.6	Very high	98	Very high	29 Å²	29	21.9 Å²	21.9	13%	0.134	11%	0.111	C	C	.	.			trans	-74.9	142.2	171.1	70.3	-59.8	0	0	0	112.3	G62 P98 H161 S165	G62-H80 WeakPolarHBondContact CA-O 3.39Å; G62-H80 PolarHBondContact N-NE2 2.92Å; G62-H80 PolarHBondContact N-O 3.43Å; H80-P98 VanDerWaalsContact CA-O 3.3Å; H80-P98 WeakPolarHBondContact CA-O 3.45Å; H80-H161 HydrophobicContact CB-CB 3.95Å; H80-H161 AromaticContact ND1-CD2 3.88Å; H80-S165 WeakPolarHBondContact CB-OG 3.44Å
81	S	98.7	Very high	98	Very high	1 Å²	1	25 Å²	25	1%	0.007	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-127.1	154	179.4	-54.5	0	0	0	0	111.1	Q63 P98 V99 K100	Q63-S81 WeakPolarHBondContact O-CA 3.47Å; S81-P98 PolarHBondContact N-O 3.45Å; S81-V99 CarbonylContact O-C 3.57Å; S81-V99 WeakPolarHBondContact O-CA 3.32Å; S81-K100 PolarHBondContact O-N 3.28Å
82	M	98.5	Very high	98	Very high	99 Å²	99	20.2 Å²	20.2	49%	0.488	11%	0.107	S	C	.	.	S	Bend	trans	-73	-54.8	172.3	179.9	168.8	179.4	0	0	111.3	G62 Q63 T101	G62-M82 VanDerWaalsContact O-CB 3.27Å; G62-M82 WeakPolarHBondContact O-CB 3.43Å; Q63-M82 PolarHBondContact O-N 3.36Å; M82-T101 PolarHBondContact O-N 3.02Å; M82-T101 PolarHBondContact O-OG1 3.37Å
83	T	98.8	Very high	98.2	Very high	20 Å²	20	18.8 Å²	18.8	12%	0.123	10%	0.1	C	C	.	.			trans	-137.4	151.6	175.7	50.7	0	0	0	0	108.6	Q64 F65 T101 C102	Q64-T83 WeakPolarHBondContact CA-O 3.29Å; Q64-T83 VanDerWaalsContact CB-OG1 3.29Å; Q64-T83 WeakPolarHBondContact CB-OG1 3.14Å; Q64-T83 WeakPolarHBondContact CG-OG1 3.49Å; F65-T83 PolarHBondContact N-O 2.88Å; T83-T101 WeakPolarHBondContact CG2-OG1 3.4Å; T83-C102 WeakPolarHBondContact CA-O 3.2Å; T83-C102 VanDerWaalsContact CG2-SG 3.59Å
84	I	98.9	Very high	98.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127.5	167.7	-62.3	-174.7	0	0	0	108	F65 L77 I86 T96 V99 C102 F103 F104	F65-I84 HydrophobicContact CB-CG1 4.25Å; F65-I84 WeakPolarHBondContact O-CA 3.49Å; L77-I84 HydrophobicContact CD1-CD1 3.99Å; I84-I86 HydrophobicContact CG2-CD1 4.34Å; I84-I86 HydrophobicContact CG2-CG1 3.99Å; I84-T96 HydrophobicContact CD1-CG2 3.68Å; I84-V99 HydrophobicContact CB-CG2 4.37Å; I84-V99 HydrophobicContact CD1-CG2 3.45Å; I84-V99 VanDerWaalsContact CD1-CG2 3.45Å; I84-V99 HydrophobicContact CG1-CG1 4.17Å; I84-V99 HydrophobicContact CG1-CG2 3.73Å; I84-C102 PolarHBondContact N-O 2.9Å; I84-F103 HydrophobicContact CB-CD2 3.95Å; I84-F103 HydrophobicContact CB-CE2 4.34Å; I84-F103 HydrophobicContact CD1-CD2 4.44Å; I84-F103 HydrophobicContact CG2-CD2 4.1Å; I84-F103 HydrophobicContact CG2-CE2 3.99Å; I84-F104 PolarHBondContact O-N 3.19Å
85	T	98.8	Very high	98.4	Very high	19 Å²	19	17.4 Å²	17.4	12%	0.117	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.3	172.7	-54.6	0	0	0	0	109.5	F65 I66 I67 D87 F104	F65-T85 PolarHBondContact O-N 3.3Å; F65-T85 VanDerWaalsContact O-N 3.08Å; I66-T85 WeakPolarHBondContact CA-O 3.31Å; I67-T85 PolarHBondContact N-O 3.28Å; T85-D87 WeakPolarHBondContact CG2-OD1 3.13Å; T85-F104 CarbonylContact C-O 3.56Å; T85-F104 WeakPolarHBondContact CA-O 3.48Å
86	I	98.9	Very high	98.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	116.2	-179.5	-53.7	174.1	0	0	0	108.2	I67 I84 C89 I94 F103 F104 I105 R106	I67-I86 HydrophobicContact CB-CG1 4.18Å; I67-I86 HydrophobicContact CB-CG2 4.34Å; I67-I86 HydrophobicContact CD1-CD1 4.36Å; I67-I86 HydrophobicContact CD1-CG1 4.18Å; I67-I86 HydrophobicContact CG2-CG2 4.37Å; I67-I86 CarbonylContact O-C 3.6Å; I67-I86 VanDerWaalsContact O-CA 3.27Å; I67-I86 WeakPolarHBondContact O-CA 3.28Å; I84-I86 HydrophobicContact CG2-CD1 4.34Å; I84-I86 HydrophobicContact CG2-CG1 3.99Å; I86-C89 HydrophobicContact CG2-CB 4.14Å; I86-I94 HydrophobicContact CD1-CD1 3.78Å; I86-I94 HydrophobicContact CD1-CG2 3.98Å; I86-I94 HydrophobicContact CG2-CD1 3.83Å; I86-F103 HydrophobicContact CD1-CE1 3.76Å; I86-F103 HydrophobicContact CD1-CE2 3.9Å; I86-F103 HydrophobicContact CD1-CZ 3.18Å; I86-F103 HydrophobicContact CG1-CZ 4.32Å; I86-F104 PolarHBondContact N-O 3.49Å; I86-I105 HydrophobicContact CB-CB 4.2Å; I86-I105 HydrophobicContact CB-CG1 4.02Å; I86-I105 HydrophobicContact CG2-CD1 4.29Å; I86-I105 HydrophobicContact CG2-CG1 4.12Å; I86-I105 CarbonylContact O-C 3.53Å; I86-I105 WeakPolarHBondContact O-CA 3.46Å; I86-R106 PolarHBondContact O-N 3.07Å
87	D	98.8	Very high	98.5	Very high	8 Å²	8	17.4 Å²	17.4	4%	0.043	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	142.4	-175.1	-58.7	-33.3	0	0	0	110.7	I67 Q68 N69 T85 C89 R106	I67-D87 PolarHBondContact O-N 2.75Å; Q68-D87 CarbonylContact C-O 3.6Å; Q68-D87 VanDerWaalsContact CA-O 3.28Å; Q68-D87 WeakPolarHBondContact CA-O 3.48Å; Q68-D87 HydrophobicContact CG-CB 4.09Å; N69-D87 PolarHBondContact N-O 2.67Å; T85-D87 WeakPolarHBondContact CG2-OD1 3.13Å; D87-C89 VanDerWaalsContact C-N 3.26Å; D87-C89 PolarHBondContact O-N 2.91Å; D87-C89 VanDerWaalsContact O-N 3.12Å; D87-C89 PolarHBondContact O-SG 3.26Å; D87-R106 WeakPolarHBondContact CA-O 3.33Å; D87-R106 WeakPolarHBondContact OD1-CD 3.43Å; D87-R106 WeakPolarHBondContact OD1-CG 3.44Å; D87-R106 IonicContact OD1-CZ 3.76Å; D87-R106 IonicContact OD1-NE 3.3Å; D87-R106 PolarHBondContact OD1-NE 3Å; D87-R106 IonicContact OD1-NH1 2.86Å; D87-R106 PolarHBondContact OD1-NH1 2.89Å; D87-R106 IonicContact OD1-NH2 3.6Å; D87-R106 PolarHBondContact OD1-NH2 2.93Å; D87-R106 VanDerWaalsContact OD1-NH2 3.17Å; D87-R106 IonicContact OD2-CZ 2.85Å; D87-R106 VanDerWaalsContact OD2-CZ 3.27Å; D87-R106 IonicContact OD2-NE 3.37Å; D87-R106 IonicContact OD2-NH1 3.99Å; D87-R106 IonicContact OD2-NH2 2.72Å; D87-R106 PolarHBondContact OD2-NH2 2.72Å
88	D	98.8	Very high	98.5	Very high	75 Å²	75	17.4 Å²	17.4	40%	0.401	10%	0.095	S	C	.	.	S	Bend	trans	56.9	31.4	167.9	-52.3	-70	0	0	0	115	Q68 N69 R106 D107	Q68-D88 PolarHBondContact NE2-OD2 3.49Å; N69-D88 WeakPolarHBondContact CA-O 3.35Å; D88-R106 PolarHBondContact N-O 2.7Å; D88-D107 WeakPolarHBondContact CA-O 3.13Å
89	C	98.9	Very high	98.6	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.014	9%	0.094	C	C	.	.			trans	-98.9	143.4	-178	-62	0	0	0	0	112.7	C70 I86 D87 C108 R109	C70-C89 CarbonylContact O-C 3.47Å; C70-C89 WeakPolarHBondContact O-CA 3.32Å; I86-C89 HydrophobicContact CG2-CB 4.14Å; D87-C89 VanDerWaalsContact C-N 3.26Å; D87-C89 PolarHBondContact O-N 2.91Å; D87-C89 VanDerWaalsContact O-N 3.12Å; D87-C89 PolarHBondContact O-SG 3.26Å; C89-C108 PolarHBondContact N-SG 2.85Å; C89-C108 CarbonylContact O-C 3.58Å; C89-C108 WeakPolarHBondContact O-CA 3.3Å; C89-C108 WeakPolarHBondContact O-CB 3.41Å; C89-R109 PolarHBondContact O-N 2.81Å
90	S	98.7	Very high	98.6	Very high	26 Å²	26	22.5 Å²	22.5	18%	0.182	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-137.3	143.6	174.5	73.8	0	0	0	0	114.1	C70 K71 N72 C92 R109	C70-S90 PolarHBondContact O-N 3.03Å; K71-S90 CarbonylContact C-O 3.59Å; K71-S90 WeakPolarHBondContact CA-O 3.16Å; N72-S90 PolarHBondContact N-O 2.92Å; S90-C92 PolarHBondContact O-N 3.01Å; S90-R109 CarbonylContact C-O 3.48Å; S90-R109 WeakPolarHBondContact CA-O 3.42Å
91	D	98.2	Very high	98.6	Very high	64 Å²	64	22.9 Å²	22.9	34%	0.342	12%	0.121	S	C	.	.	S	Bend	trans	59.2	31.2	178.2	-51.2	-79	0	0	0	112.6	N72 R109 R110	N72-D91 WeakPolarHBondContact CA-O 3.19Å; N72-D91 HydrophobicContact CB-CB 4.46Å; N72-D91 PolarHBondContact N-O 2.93Å; D91-R109 PolarHBondContact N-O 3.27Å; D91-R110 WeakPolarHBondContact CA-O 3.49Å; D91-R110 VanDerWaalsContact CG-NH2 3.32Å; D91-R110 PolarHBondContact N-O 3.26Å; D91-R110 IonicContact OD1-CZ 2.59Å; D91-R110 VanDerWaalsContact OD1-CZ 3.31Å; D91-R110 IonicContact OD1-NE 3.57Å; D91-R110 PolarHBondContact OD1-NE 2.94Å; D91-R110 IonicContact OD1-NH2 2.84Å; D91-R110 PolarHBondContact OD1-NH2 3.16Å; D91-R110 VanDerWaalsContact OD1-NH2 3.09Å; D91-R110 IonicContact OD2-CZ 2.63Å; D91-R110 IonicContact OD2-NE 2.63Å; D91-R110 IonicContact OD2-NH2 3.14Å; D91-R110 PolarHBondContact OD2-NH2 3.35Å
92	C	98.5	Very high	98.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	13%	0.132	C	C	.	.			trans	-102.8	144.2	-176.3	-76.5	0	0	0	0	112.3	C70 S73 S90 I94 C111 T112	C70-C92 PolarHBondContact O-SG 3.29Å; S73-C92 VanDerWaalsContact O-CA 3.29Å; S73-C92 WeakPolarHBondContact O-CA 3.24Å; S90-C92 PolarHBondContact O-N 3.01Å; C92-I94 HydrophobicContact CB-CD1 4.12Å; C92-I94 HydrophobicContact CB-CG1 4.07Å; C92-C111 CarbonylContact O-C 3.53Å; C92-C111 VanDerWaalsContact O-CA 3.26Å; C92-C111 WeakPolarHBondContact O-CA 3.46Å; C92-T112 PolarHBondContact O-N 3.09Å
93	T	98.3	Very high	98.6	Very high	19 Å²	19	19.7 Å²	19.7	12%	0.117	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.1	166	-61.9	0	0	0	0	108.8	S73 Y74 I75 V95 T112 V204	S73-T93 PolarHBondContact O-N 2.82Å; Y74-T93 CarbonylContact C-O 3.56Å; Y74-T93 WeakPolarHBondContact CA-O 3.31Å; Y74-T93 HydrophobicContact CD1-CG2 4.3Å; I75-T93 PolarHBondContact N-O 3.27Å; T93-V95 HydrophobicContact CG2-CG2 4.48Å; T93-T112 CarbonylContact C-O 3.51Å; T93-T112 WeakPolarHBondContact CA-O 3.36Å; T93-V204 HydrophobicContact CG2-CG1 3.91Å
94	I	98.7	Very high	98.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	112.1	-170.6	-54.9	173.7	0	0	0	108.8	I67 I75 I86 C92 T96 T112 V113 A114	I67-I94 HydrophobicContact CD1-CD1 4.47Å; I67-I94 HydrophobicContact CD1-CG2 3.75Å; I75-I94 HydrophobicContact CB-CG1 4.34Å; I75-I94 HydrophobicContact CB-CG2 4.5Å; I75-I94 CarbonylContact O-C 3.56Å; I75-I94 WeakPolarHBondContact O-CA 3.24Å; I86-I94 HydrophobicContact CD1-CD1 3.78Å; I86-I94 HydrophobicContact CD1-CG2 3.98Å; I86-I94 HydrophobicContact CG2-CD1 3.83Å; C92-I94 HydrophobicContact CB-CD1 4.12Å; C92-I94 HydrophobicContact CB-CG1 4.07Å; I94-T96 HydrophobicContact CG2-CG2 4.05Å; I94-T112 PolarHBondContact N-O 3.43Å; I94-V113 CarbonylContact O-C 3.54Å; I94-V113 VanDerWaalsContact O-CA 3.28Å; I94-V113 WeakPolarHBondContact O-CA 3.33Å; I94-A114 PolarHBondContact O-N 3.2Å
95	V	98.5	Very high	98.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.4	178.7	-178	0	0	0	0	108.3	I75 Y76 L77 L78 T93 A114 V204 L238 F240	I75-V95 PolarHBondContact O-N 3.17Å; Y76-V95 CarbonylContact C-O 3.52Å; Y76-V95 WeakPolarHBondContact CA-O 3.31Å; Y76-V95 HydrophobicContact CD1-CB 3.81Å; Y76-V95 HydrophobicContact CD1-CG1 4.48Å; Y76-V95 HydrophobicContact CD1-CG2 3.99Å; Y76-V95 HydrophobicContact CE1-CB 4.27Å; Y76-V95 HydrophobicContact CE1-CG2 3.93Å; L77-V95 PolarHBondContact N-O 2.78Å; L78-V95 HydrophobicContact CD2-CG1 4.37Å; T93-V95 HydrophobicContact CG2-CG2 4.48Å; V95-A114 CarbonylContact C-O 3.5Å; V95-A114 WeakPolarHBondContact CA-O 3.25Å; V95-A114 HydrophobicContact CG1-CB 4.32Å; V95-A114 HydrophobicContact CG2-CB 4.28Å; V95-V204 HydrophobicContact CG2-CG1 3.44Å; V95-V204 VanDerWaalsContact CG2-CG1 3.44Å; V95-L238 HydrophobicContact CG1-CD2 4.43Å; V95-F240 HydrophobicContact CG1-CE1 4.44Å
96	T	98.5	Very high	98.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	153.3	179.6	82.3	0	0	0	0	111.7	L77 I84 I94 F103 A114 T115 Y151	L77-T96 HydrophobicContact CB-CG2 4.2Å; L77-T96 HydrophobicContact CD1-CG2 4.26Å; L77-T96 HydrophobicContact CG-CG2 4.47Å; L77-T96 CarbonylContact O-C 3.39Å; L77-T96 WeakPolarHBondContact O-CA 3.06Å; I84-T96 HydrophobicContact CD1-CG2 3.68Å; I94-T96 HydrophobicContact CG2-CG2 4.05Å; T96-F103 HydrophobicContact CG2-CE2 3.93Å; T96-A114 PolarHBondContact N-O 3Å; T96-T115 WeakPolarHBondContact OG1-CB 3.5Å; T96-T115 PolarHBondContact OG1-OG1 3.19Å; T96-Y151 PolarHBondContact O-OH 3.3Å
97	G	98.1	Very high	98.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	-176.3	158.9	0	0	0	0	0	112	L77 D79 Y155	L77-G97 PolarHBondContact O-N 3.47Å; D79-G97 WeakPolarHBondContact O-CA 3.43Å; G97-Y155 WeakPolarHBondContact CA-OH 3.41Å
98	P	98.5	Very high	98.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	137.6	-178.4	-22.4	35.7	0	0	0	113	H80 S81 A116 L158 H161 F162 S165 L167	H80-P98 VanDerWaalsContact CA-O 3.3Å; H80-P98 WeakPolarHBondContact CA-O 3.45Å; S81-P98 PolarHBondContact N-O 3.45Å; P98-A116 CarbonylContact C-O 3.59Å; P98-A116 WeakPolarHBondContact CA-O 3.19Å; P98-A116 HydrophobicContact CB-CB 4.47Å; P98-L158 HydrophobicContact CG-CD1 3.78Å; P98-H161 HydrophobicContact CG-CB 4.06Å; P98-F162 HydrophobicContact CB-CD1 4.31Å; P98-F162 HydrophobicContact CB-CD2 4.46Å; P98-F162 HydrophobicContact CB-CG 4.26Å; P98-F162 HydrophobicContact CG-CB 4.32Å; P98-F162 HydrophobicContact CG-CD1 4.16Å; P98-F162 HydrophobicContact CG-CD2 3.48Å; P98-F162 VanDerWaalsContact CG-CD2 3.48Å; P98-F162 HydrophobicContact CG-CE1 4.36Å; P98-F162 HydrophobicContact CG-CE2 3.72Å; P98-F162 HydrophobicContact CG-CG 3.71Å; P98-F162 HydrophobicContact CG-CZ 4.15Å; P98-S165 PolarHBondContact O-OG 2.99Å; P98-L167 HydrophobicContact CB-CD1 3.93Å
99	V	98.8	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	111.1	-178.5	-173.4	0	0	0	0	109.5	S81 I84 T101 C102 F103 A116 C117 Q118	S81-V99 CarbonylContact O-C 3.57Å; S81-V99 WeakPolarHBondContact O-CA 3.32Å; I84-V99 HydrophobicContact CB-CG2 4.37Å; I84-V99 HydrophobicContact CD1-CG2 3.45Å; I84-V99 VanDerWaalsContact CD1-CG2 3.45Å; I84-V99 HydrophobicContact CG1-CG1 4.17Å; I84-V99 HydrophobicContact CG1-CG2 3.73Å; V99-T101 VanDerWaalsContact C-N 3.26Å; V99-T101 PolarHBondContact O-N 3.1Å; V99-T101 VanDerWaalsContact O-N 3.13Å; V99-C102 VanDerWaalsContact CG1-O 3.32Å; V99-C102 WeakPolarHBondContact CG1-O 3.36Å; V99-F103 HydrophobicContact CG2-CD2 4.25Å; V99-A116 PolarHBondContact N-O 2.84Å; V99-C117 HydrophobicContact CB-CB 3.89Å; V99-C117 VanDerWaalsContact O-CA 3.27Å; V99-C117 WeakPolarHBondContact O-CA 3.44Å; V99-Q118 PolarHBondContact O-N 2.96Å
100	K	98.7	Very high	98.6	Very high	109 Å²	109	33.4 Å²	33.4	47%	0.474	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	-40.5	-172.1	176.9	169.7	-177.5	174.4	0	114.2	S81 Q118 S165	S81-K100 PolarHBondContact O-N 3.28Å; K100-Q118 WeakPolarHBondContact O-CB 3.5Å; K100-S165 WeakPolarHBondContact CG-O 3.42Å
101	T	98.3	Very high	98.6	Very high	38 Å²	38	32.3 Å²	32.3	23%	0.233	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	-93.9	-174.5	60.1	0	0	0	0	111.7	M82 T83 V99 Q118 Q119	M82-T101 PolarHBondContact O-N 3.02Å; M82-T101 PolarHBondContact O-OG1 3.37Å; T83-T101 WeakPolarHBondContact CG2-OG1 3.4Å; V99-T101 VanDerWaalsContact C-N 3.26Å; V99-T101 PolarHBondContact O-N 3.1Å; V99-T101 VanDerWaalsContact O-N 3.13Å; T101-Q118 VanDerWaalsContact O-CB 3.27Å; T101-Q118 WeakPolarHBondContact O-CB 3.45Å; T101-Q118 PolarHBondContact O-N 3.39Å; T101-Q119 PolarHBondContact O-N 3.18Å
102	C	98.2	Very high	98.6	Very high	33 Å²	33	30.5 Å²	30.5	22%	0.223	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138	-176.8	63.7	0	0	0	0	113.3	T83 I84 V99 Q119	T83-C102 WeakPolarHBondContact CA-O 3.2Å; T83-C102 VanDerWaalsContact CG2-SG 3.59Å; I84-C102 PolarHBondContact N-O 2.9Å; V99-C102 VanDerWaalsContact CG1-O 3.32Å; V99-C102 WeakPolarHBondContact CG1-O 3.36Å; C102-Q119 VanDerWaalsContact CA-O 3.3Å; C102-Q119 WeakPolarHBondContact CA-O 3.25Å; C102-Q119 HydrophobicContact CB-CB 4.34Å
103	F	98.8	Very high	98.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	115.5	158.9	-174.2	-76.8	0	0	0	107	I84 I86 T96 V99 I105 V113 T115 C117 Q119 F120 R121	I84-F103 HydrophobicContact CB-CD2 3.95Å; I84-F103 HydrophobicContact CB-CE2 4.34Å; I84-F103 HydrophobicContact CD1-CD2 4.44Å; I84-F103 HydrophobicContact CG2-CD2 4.1Å; I84-F103 HydrophobicContact CG2-CE2 3.99Å; I86-F103 HydrophobicContact CD1-CE1 3.76Å; I86-F103 HydrophobicContact CD1-CE2 3.9Å; I86-F103 HydrophobicContact CD1-CZ 3.18Å; I86-F103 HydrophobicContact CG1-CZ 4.32Å; T96-F103 HydrophobicContact CG2-CE2 3.93Å; V99-F103 HydrophobicContact CG2-CD2 4.25Å; F103-I105 HydrophobicContact CE1-CB 4.14Å; F103-I105 HydrophobicContact CE1-CG2 4.28Å; F103-V113 HydrophobicContact CE1-CG1 3.74Å; F103-V113 HydrophobicContact CE2-CG1 4.12Å; F103-V113 HydrophobicContact CZ-CB 4.49Å; F103-V113 HydrophobicContact CZ-CG1 3.33Å; F103-V113 HydrophobicContact CZ-CG2 4.34Å; F103-T115 HydrophobicContact CB-CG2 4.47Å; F103-T115 HydrophobicContact CD1-CG2 4.18Å; F103-T115 HydrophobicContact CD2-CG2 3.77Å; F103-T115 WeakPolarHBondContact CD2-OG1 3.16Å; F103-T115 HydrophobicContact CE1-CG2 4.34Å; F103-T115 HydrophobicContact CE2-CG2 3.93Å; F103-T115 HydrophobicContact CG-CG2 3.89Å; F103-T115 HydrophobicContact CZ-CG2 4.2Å; F103-C117 HydrophobicContact CB-CB 3.89Å; F103-Q119 PolarHBondContact N-O 3.07Å; F103-F120 HydrophobicContact CB-CD2 4.45Å; F103-F120 AromaticContact CD1-CD2 3.76Å; F103-F120 HydrophobicContact CD1-CD2 3.76Å; F103-F120 AromaticContact CD1-CE2 3.62Å; F103-F120 HydrophobicContact CD1-CE2 3.62Å; F103-F120 HydrophobicContact CE1-CD2 4.43Å; F103-F120 AromaticContact CE1-CE2 3.86Å; F103-F120 HydrophobicContact CE1-CE2 3.86Å; F103-F120 HydrophobicContact CG-CD2 4.39Å; F103-R121 PolarHBondContact O-N 3.28Å
104	F	98.8	Very high	98.6	Very high	46 Å²	46	29.6 Å²	29.6	20%	0.202	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	116.2	-177.7	-172.5	-160.2	0	0	0	110.7	I84 T85 I86 R106 R121 R123	I84-F104 PolarHBondContact O-N 3.19Å; T85-F104 CarbonylContact C-O 3.56Å; T85-F104 WeakPolarHBondContact CA-O 3.48Å; I86-F104 PolarHBondContact N-O 3.49Å; F104-R106 HydrophobicContact CE2-CB 4.2Å; F104-R106 HydrophobicContact CZ-CB 4.28Å; F104-R121 WeakPolarHBondContact CA-O 3.49Å; F104-R121 HydrophobicContact CD2-CB 3.66Å; F104-R121 WeakPolarHBondContact CD2-O 3.37Å; F104-R121 HydrophobicContact CE2-CB 4.17Å; F104-R121 HydrophobicContact CG-CB 4.28Å; F104-R123 HydrophobicContact CE2-CB 4Å; F104-R123 HydrophobicContact CZ-CB 4.25Å
105	I	98.9	Very high	98.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.1	175.4	-176.7	168	0	0	0	110.2	I86 F103 C108 C111 V113 F120 R121 S122 R123 C125	I86-I105 HydrophobicContact CB-CB 4.2Å; I86-I105 HydrophobicContact CB-CG1 4.02Å; I86-I105 HydrophobicContact CG2-CD1 4.29Å; I86-I105 HydrophobicContact CG2-CG1 4.12Å; I86-I105 CarbonylContact O-C 3.53Å; I86-I105 WeakPolarHBondContact O-CA 3.46Å; F103-I105 HydrophobicContact CE1-CB 4.14Å; F103-I105 HydrophobicContact CE1-CG2 4.28Å; I105-C108 HydrophobicContact CD1-CB 3.88Å; I105-C108 HydrophobicContact CG1-CB 3.81Å; I105-C111 HydrophobicContact CD1-CB 4.45Å; I105-V113 HydrophobicContact CD1-CG2 3.93Å; I105-F120 HydrophobicContact CG2-CE2 4.44Å; I105-F120 HydrophobicContact CG2-CZ 3.98Å; I105-R121 PolarHBondContact N-O 2.88Å; I105-R121 VanDerWaalsContact N-O 3.07Å; I105-S122 CarbonylContact O-C 3.52Å; I105-S122 WeakPolarHBondContact O-CA 3.33Å; I105-S122 PolarHBondContact O-OG 2.82Å; I105-R123 PolarHBondContact O-N 3.06Å; I105-C125 PolarHBondContact O-SG 3.45Å
106	R	98.6	Very high	98.6	Very high	68 Å²	68	29.6 Å²	29.6	26%	0.257	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	153.7	178	62.1	171.4	-170.6	-94.4	-4.5	113.7	I86 D87 D88 F104 C108 R123	I86-R106 PolarHBondContact O-N 3.07Å; D87-R106 WeakPolarHBondContact CA-O 3.33Å; D87-R106 WeakPolarHBondContact OD1-CD 3.43Å; D87-R106 WeakPolarHBondContact OD1-CG 3.44Å; D87-R106 IonicContact OD1-CZ 3.76Å; D87-R106 IonicContact OD1-NE 3.3Å; D87-R106 PolarHBondContact OD1-NE 3Å; D87-R106 IonicContact OD1-NH1 2.86Å; D87-R106 PolarHBondContact OD1-NH1 2.89Å; D87-R106 IonicContact OD1-NH2 3.6Å; D87-R106 PolarHBondContact OD1-NH2 2.93Å; D87-R106 VanDerWaalsContact OD1-NH2 3.17Å; D87-R106 IonicContact OD2-CZ 2.85Å; D87-R106 VanDerWaalsContact OD2-CZ 3.27Å; D87-R106 IonicContact OD2-NE 3.37Å; D87-R106 IonicContact OD2-NH1 3.99Å; D87-R106 IonicContact OD2-NH2 2.72Å; D87-R106 PolarHBondContact OD2-NH2 2.72Å; D88-R106 PolarHBondContact N-O 2.7Å; F104-R106 HydrophobicContact CE2-CB 4.2Å; F104-R106 HydrophobicContact CZ-CB 4.28Å; R106-C108 PolarHBondContact O-N 2.79Å; R106-C108 PolarHBondContact O-SG 2.84Å; R106-R123 WeakPolarHBondContact CA-O 3.45Å; R106-R123 HydrophobicContact CB-CB 4.24Å; R106-R123 WeakPolarHBondContact CB-O 3.49Å
107	D	98.7	Very high	98.6	Very high	70 Å²	70	29.6 Å²	29.6	37%	0.374	13%	0.134	S	C	.	.	S	Bend	trans	56.6	35	175.5	-55.9	-72.9	0	0	0	112.6	D88 R123 D124	D88-D107 WeakPolarHBondContact CA-O 3.13Å; D107-R123 PolarHBondContact N-O 3.13Å; D107-R123 VanDerWaalsContact N-O 3.13Å; D107-D124 VanDerWaalsContact CA-O 3.32Å; D107-D124 WeakPolarHBondContact CA-O 3.22Å; D107-D124 PolarHBondContact N-O 3.08Å
108	C	98.8	Very high	98.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	15%	0.152	C	C	.	.			trans	-113.1	153.1	-173.8	-71	0	0	0	0	112.9	C89 I105 R106 C125 H126	C89-C108 PolarHBondContact N-SG 2.85Å; C89-C108 CarbonylContact O-C 3.58Å; C89-C108 WeakPolarHBondContact O-CA 3.3Å; C89-C108 WeakPolarHBondContact O-CB 3.41Å; I105-C108 HydrophobicContact CD1-CB 3.88Å; I105-C108 HydrophobicContact CG1-CB 3.81Å; R106-C108 PolarHBondContact O-N 2.79Å; R106-C108 PolarHBondContact O-SG 2.84Å; C108-C125 CarbonylContact O-C 3.57Å; C108-C125 WeakPolarHBondContact O-CA 3.49Å; C108-H126 PolarHBondContact O-N 3.34Å
109	R	98.7	Very high	98.5	Very high	126 Å²	126	36.7 Å²	36.7	48%	0.475	17%	0.167	S	C	.	.	B	Isolated β-bridge	trans	-143	137	-178.9	-175.8	168.5	-176.8	-156.5	1	114.2	C89 S90 D91 C111 H126 D127	C89-R109 PolarHBondContact O-N 2.81Å; S90-R109 CarbonylContact C-O 3.48Å; S90-R109 WeakPolarHBondContact CA-O 3.42Å; D91-R109 PolarHBondContact N-O 3.27Å; R109-C111 VanDerWaalsContact C-N 3.31Å; R109-C111 PolarHBondContact O-N 3.49Å; R109-H126 CarbonylContact C-O 3.57Å; R109-H126 VanDerWaalsContact CA-O 3.26Å; R109-H126 WeakPolarHBondContact CA-O 3.36Å; R109-H126 HydrophobicContact CG-CB 4.23Å; R109-D127 IonicContact NE-OD2 3.09Å; R109-D127 IonicContact NH2-OD2 3.86Å
110	R	98.6	Very high	98.5	Very high	101 Å²	101	36.7 Å²	36.7	38%	0.381	17%	0.167	S	C	.	.	S	Bend	trans	55.7	46.2	-179.9	-66.5	-175.8	-53.2	-79.6	-8.9	111.9	D91 H126 D127	D91-R110 WeakPolarHBondContact CA-O 3.49Å; D91-R110 VanDerWaalsContact CG-NH2 3.32Å; D91-R110 PolarHBondContact N-O 3.26Å; D91-R110 IonicContact OD1-CZ 2.59Å; D91-R110 VanDerWaalsContact OD1-CZ 3.31Å; D91-R110 IonicContact OD1-NE 3.57Å; D91-R110 PolarHBondContact OD1-NE 2.94Å; D91-R110 IonicContact OD1-NH2 2.84Å; D91-R110 PolarHBondContact OD1-NH2 3.16Å; D91-R110 VanDerWaalsContact OD1-NH2 3.09Å; D91-R110 IonicContact OD2-CZ 2.63Å; D91-R110 IonicContact OD2-NE 2.63Å; D91-R110 IonicContact OD2-NH2 3.14Å; D91-R110 PolarHBondContact OD2-NH2 3.35Å; R110-H126 PolarHBondContact N-O 3.36Å; R110-D127 WeakPolarHBondContact CA-O 3.33Å; R110-D127 HydrophobicContact CG-CB 3.72Å; R110-D127 PolarHBondContact N-O 3.09Å
111	C	98.8	Very high	98.5	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	16%	0.164	C	C	.	.			trans	-104	144.9	179.5	-70	0	0	0	0	111.1	C92 I105 R109 T128 L129	C92-C111 CarbonylContact O-C 3.53Å; C92-C111 VanDerWaalsContact O-CA 3.26Å; C92-C111 WeakPolarHBondContact O-CA 3.46Å; I105-C111 HydrophobicContact CD1-CB 4.45Å; R109-C111 VanDerWaalsContact C-N 3.31Å; R109-C111 PolarHBondContact O-N 3.49Å; C111-T128 HydrophobicContact CB-CG2 4.43Å; C111-T128 VanDerWaalsContact O-CA 3.29Å; C111-T128 WeakPolarHBondContact O-CA 3.27Å; C111-T128 WeakPolarHBondContact O-CG2 3.15Å; C111-L129 PolarHBondContact O-N 3.02Å
112	T	98.6	Very high	98.5	Very high	26 Å²	26	35.1 Å²	35.1	16%	0.16	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.2	166.6	-57.3	0	0	0	0	108.4	C92 T93 I94 L129 F131 H203 V204	C92-T112 PolarHBondContact O-N 3.09Å; T93-T112 CarbonylContact C-O 3.51Å; T93-T112 WeakPolarHBondContact CA-O 3.36Å; I94-T112 PolarHBondContact N-O 3.43Å; T112-L129 CarbonylContact C-O 3.57Å; T112-L129 WeakPolarHBondContact CA-O 3.36Å; T112-L129 HydrophobicContact CG2-CB 4.34Å; T112-L129 HydrophobicContact CG2-CD2 4.19Å; T112-L129 HydrophobicContact CG2-CG 4.26Å; T112-F131 HydrophobicContact CG2-CD2 4.34Å; T112-F131 HydrophobicContact CG2-CE2 4.06Å; T112-H203 HydrophobicContact CG2-CB 4.47Å; T112-V204 HydrophobicContact CG2-CG2 3.66Å
113	V	98.7	Very high	98.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.7	-178.5	174.1	0	0	0	0	109.5	I94 F103 I105 T115 L129 V130 F131	I94-V113 CarbonylContact O-C 3.54Å; I94-V113 VanDerWaalsContact O-CA 3.28Å; I94-V113 WeakPolarHBondContact O-CA 3.33Å; F103-V113 HydrophobicContact CE1-CG1 3.74Å; F103-V113 HydrophobicContact CE2-CG1 4.12Å; F103-V113 HydrophobicContact CZ-CB 4.49Å; F103-V113 HydrophobicContact CZ-CG1 3.33Å; F103-V113 HydrophobicContact CZ-CG2 4.34Å; I105-V113 HydrophobicContact CD1-CG2 3.93Å; V113-T115 HydrophobicContact CG1-CG2 3.89Å; V113-L129 PolarHBondContact N-O 3.29Å; V113-V130 HydrophobicContact CB-CG1 4.33Å; V113-V130 HydrophobicContact CG1-CG1 4.33Å; V113-V130 CarbonylContact O-C 3.57Å; V113-V130 WeakPolarHBondContact O-CA 3.29Å; V113-F131 PolarHBondContact O-N 3.46Å
114	A	98.2	Very high	98.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	112	166	0	0	0	0	0	109.5	I94 V95 T96 F131	I94-A114 PolarHBondContact O-N 3.2Å; V95-A114 CarbonylContact C-O 3.5Å; V95-A114 WeakPolarHBondContact CA-O 3.25Å; V95-A114 HydrophobicContact CG1-CB 4.32Å; V95-A114 HydrophobicContact CG2-CB 4.28Å; T96-A114 PolarHBondContact N-O 3Å; A114-F131 CarbonylContact C-O 3.58Å; A114-F131 VanDerWaalsContact CA-O 3.32Å; A114-F131 WeakPolarHBondContact CA-O 3.42Å; A114-F131 HydrophobicContact CB-CB 4Å
115	T	98.4	Very high	98.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	155.9	-172.9	-167.4	0	0	0	0	112.9	T96 F103 V113 F120 F131 L132 A133 Y151	T96-T115 WeakPolarHBondContact OG1-CB 3.5Å; T96-T115 PolarHBondContact OG1-OG1 3.19Å; F103-T115 HydrophobicContact CB-CG2 4.47Å; F103-T115 HydrophobicContact CD1-CG2 4.18Å; F103-T115 HydrophobicContact CD2-CG2 3.77Å; F103-T115 WeakPolarHBondContact CD2-OG1 3.16Å; F103-T115 HydrophobicContact CE1-CG2 4.34Å; F103-T115 HydrophobicContact CE2-CG2 3.93Å; F103-T115 HydrophobicContact CG-CG2 3.89Å; F103-T115 HydrophobicContact CZ-CG2 4.2Å; V113-T115 HydrophobicContact CG1-CG2 3.89Å; T115-F120 HydrophobicContact CG2-CD2 4.24Å; T115-F120 HydrophobicContact CG2-CE2 4.45Å; T115-F131 PolarHBondContact N-O 2.95Å; T115-L132 HydrophobicContact CG2-CD1 3.76Å; T115-L132 WeakPolarHBondContact O-CA 2.98Å; T115-A133 PolarHBondContact O-N 2.92Å; T115-Y151 VanDerWaalsContact C-CD2 3.41Å; T115-Y151 VanDerWaalsContact C-CE2 3.49Å; T115-Y151 WeakPolarHBondContact O-CD2 3.3Å
116	A	98.3	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.5	167.6	0	0	0	0	0	108.9	P98 V99 A133 Y151 F162	P98-A116 CarbonylContact C-O 3.59Å; P98-A116 WeakPolarHBondContact CA-O 3.19Å; P98-A116 HydrophobicContact CB-CB 4.47Å; V99-A116 PolarHBondContact N-O 2.84Å; A116-A133 CarbonylContact C-O 3.48Å; A116-A133 WeakPolarHBondContact CA-O 3.28Å; A116-A133 HydrophobicContact CB-CB 3.92Å; A116-Y151 HydrophobicContact CB-CE1 4.42Å; A116-Y151 HydrophobicContact CB-CE2 4.37Å; A116-F162 HydrophobicContact CB-CE1 3.8Å; A116-F162 HydrophobicContact CB-CE2 4.4Å; A116-F162 HydrophobicContact CB-CZ 3.46Å; A116-F162 VanDerWaalsContact CB-CZ 3.46Å
117	C	98.5	Very high	98.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	166	-175.7	60.2	0	0	0	0	113.3	V99 F103 Q119 A133 C134 S135	V99-C117 HydrophobicContact CB-CB 3.89Å; V99-C117 VanDerWaalsContact O-CA 3.27Å; V99-C117 WeakPolarHBondContact O-CA 3.44Å; F103-C117 HydrophobicContact CB-CB 3.89Å; C117-Q119 VanDerWaalsContact SG-C 3.58Å; C117-A133 PolarHBondContact N-O 3.49Å; C117-C134 WeakPolarHBondContact O-CA 3.15Å; C117-S135 PolarHBondContact O-N 3.07Å
118	Q	97.8	Very high	98.2	Very high	83 Å²	83	37.6 Å²	37.6	39%	0.388	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-48.8	169	-174.3	-177.8	45.4	0	0	111	V99 K100 T101 C134 T136 L167	V99-Q118 PolarHBondContact O-N 2.96Å; K100-Q118 WeakPolarHBondContact O-CB 3.5Å; T101-Q118 VanDerWaalsContact O-CB 3.27Å; T101-Q118 WeakPolarHBondContact O-CB 3.45Å; T101-Q118 PolarHBondContact O-N 3.39Å; Q118-C134 PolarHBondContact O-SG 3.5Å; Q118-T136 HydrophobicContact CG-CG2 4.4Å; Q118-T136 WeakPolarHBondContact O-CB 3.44Å; Q118-T136 WeakPolarHBondContact O-CG2 3.28Å; Q118-T136 PolarHBondContact O-N 3.43Å; Q118-T136 VanDerWaalsContact O-N 3.13Å; Q118-T136 PolarHBondContact O-OG1 3.01Å; Q118-L167 HydrophobicContact CB-CD2 3.9Å
119	Q	98	Very high	98.2	Very high	66 Å²	66	38.5 Å²	38.5	31%	0.308	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.7	-179.8	-63.5	-175.9	-18.4	0	0	110.7	T101 C102 F103 C117 T136	T101-Q119 PolarHBondContact O-N 3.18Å; C102-Q119 VanDerWaalsContact CA-O 3.3Å; C102-Q119 WeakPolarHBondContact CA-O 3.25Å; C102-Q119 HydrophobicContact CB-CB 4.34Å; F103-Q119 PolarHBondContact N-O 3.07Å; C117-Q119 VanDerWaalsContact SG-C 3.58Å; Q119-T136 HydrophobicContact CG-CG2 4.44Å
120	F	98.6	Very high	98.1	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.5	168.9	-177.6	-88.9	0	0	0	109.3	F103 I105 T115 V130 L132 C134 P138 I139 F148	F103-F120 HydrophobicContact CB-CD2 4.45Å; F103-F120 AromaticContact CD1-CD2 3.76Å; F103-F120 HydrophobicContact CD1-CD2 3.76Å; F103-F120 AromaticContact CD1-CE2 3.62Å; F103-F120 HydrophobicContact CD1-CE2 3.62Å; F103-F120 HydrophobicContact CE1-CD2 4.43Å; F103-F120 AromaticContact CE1-CE2 3.86Å; F103-F120 HydrophobicContact CE1-CE2 3.86Å; F103-F120 HydrophobicContact CG-CD2 4.39Å; I105-F120 HydrophobicContact CG2-CE2 4.44Å; I105-F120 HydrophobicContact CG2-CZ 3.98Å; T115-F120 HydrophobicContact CG2-CD2 4.24Å; T115-F120 HydrophobicContact CG2-CE2 4.45Å; F120-V130 HydrophobicContact CD2-CG1 4.36Å; F120-V130 HydrophobicContact CE2-CG1 3.65Å; F120-V130 HydrophobicContact CE2-CG2 4.45Å; F120-V130 HydrophobicContact CZ-CB 4.46Å; F120-V130 HydrophobicContact CZ-CG1 3.82Å; F120-V130 HydrophobicContact CZ-CG2 3.86Å; F120-L132 HydrophobicContact CB-CD1 4.05Å; F120-L132 HydrophobicContact CB-CD2 3.77Å; F120-L132 HydrophobicContact CD1-CD2 4.25Å; F120-L132 HydrophobicContact CD2-CD1 3.83Å; F120-L132 HydrophobicContact CD2-CD2 4.14Å; F120-L132 HydrophobicContact CG-CD1 4.16Å; F120-L132 HydrophobicContact CG-CD2 3.78Å; F120-C134 PolarHBondContact N-SG 3.46Å; F120-C134 VanDerWaalsContact N-SG 3.43Å; F120-P138 HydrophobicContact CB-CB 4.09Å; F120-P138 HydrophobicContact CD1-CB 4Å; F120-P138 HydrophobicContact CG-CB 4.41Å; F120-I139 PolarHBondContact O-N 2.91Å; F120-F148 HydrophobicContact CD1-CE1 4.14Å; F120-F148 HydrophobicContact CD1-CZ 4.39Å; F120-F148 AromaticContact CE1-CE1 3.87Å; F120-F148 HydrophobicContact CE1-CE1 3.87Å; F120-F148 AromaticContact CE1-CZ 3.88Å; F120-F148 HydrophobicContact CE1-CZ 3.88Å; F120-F148 HydrophobicContact CZ-CE1 4.37Å
121	R	98.5	Very high	98.1	Very high	111 Å²	111	27.7 Å²	27.7	42%	0.419	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.4	174.5	-61.8	-172.8	-173.5	176.8	4.4	109.8	F103 F104 I105 I139	F103-R121 PolarHBondContact O-N 3.28Å; F104-R121 WeakPolarHBondContact CA-O 3.49Å; F104-R121 HydrophobicContact CD2-CB 3.66Å; F104-R121 WeakPolarHBondContact CD2-O 3.37Å; F104-R121 HydrophobicContact CE2-CB 4.17Å; F104-R121 HydrophobicContact CG-CB 4.28Å; I105-R121 PolarHBondContact N-O 2.88Å; I105-R121 VanDerWaalsContact N-O 3.07Å; R121-I139 CarbonylContact C-O 2.98Å; R121-I139 WeakPolarHBondContact CA-O 3.46Å
122	S	98.5	Very high	98	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.021	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.6	169.7	-176.3	0	0	0	0	111.3	I105 C125 I139 I140 E141 C143 F146	I105-S122 CarbonylContact O-C 3.52Å; I105-S122 WeakPolarHBondContact O-CA 3.33Å; I105-S122 PolarHBondContact O-OG 2.82Å; S122-C125 WeakPolarHBondContact OG-CB 3.45Å; S122-C125 PolarHBondContact OG-SG 3.03Å; S122-I139 PolarHBondContact N-O 3.16Å; S122-I140 CarbonylContact O-C 3.59Å; S122-I140 WeakPolarHBondContact O-CA 3.47Å; S122-E141 PolarHBondContact O-N 2.73Å; S122-C143 PolarHBondContact OG-SG 3.15Å; S122-F146 WeakPolarHBondContact OG-CZ 3.39Å
123	R	97.8	Very high	97.9	Very high	88 Å²	88	26.6 Å²	26.6	33%	0.332	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141	172.8	-158.9	-174.5	65.4	-155.1	-7	112.1	F104 I105 R106 D107 C125 E141	F104-R123 HydrophobicContact CE2-CB 4Å; F104-R123 HydrophobicContact CZ-CB 4.25Å; I105-R123 PolarHBondContact O-N 3.06Å; R106-R123 WeakPolarHBondContact CA-O 3.45Å; R106-R123 HydrophobicContact CB-CB 4.24Å; R106-R123 WeakPolarHBondContact CB-O 3.49Å; D107-R123 PolarHBondContact N-O 3.13Å; D107-R123 VanDerWaalsContact N-O 3.13Å; R123-C125 PolarHBondContact O-N 3Å; R123-C125 PolarHBondContact O-SG 2.98Å; R123-E141 CarbonylContact C-O 3.43Å; R123-E141 WeakPolarHBondContact CA-O 3.27Å; R123-E141 HydrophobicContact CG-CB 4.06Å; R123-E141 HydrophobicContact CG-CG 4.1Å
124	D	97.5	Very high	97.8	Very high	55 Å²	55	26.6 Å²	26.6	29%	0.294	12%	0.121	S	C	.	.	S	Bend	trans	54.8	39.3	171.9	-53.9	-58.5	0	0	0	112.9	D107 E141 S142	D107-D124 VanDerWaalsContact CA-O 3.32Å; D107-D124 WeakPolarHBondContact CA-O 3.22Å; D107-D124 PolarHBondContact N-O 3.08Å; D124-E141 PolarHBondContact N-O 3.19Å; D124-S142 WeakPolarHBondContact CA-O 3.44Å; D124-S142 VanDerWaalsContact OD1-CB 3.23Å; D124-S142 WeakPolarHBondContact OD1-CB 3.33Å
125	C	98.1	Very high	97.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.126	C	C	.	.			trans	-114.2	146.2	-177.3	-67.9	0	0	0	0	112.2	I105 C108 S122 R123 C143 T144 F146	I105-C125 PolarHBondContact O-SG 3.45Å; C108-C125 CarbonylContact O-C 3.57Å; C108-C125 WeakPolarHBondContact O-CA 3.49Å; S122-C125 WeakPolarHBondContact OG-CB 3.45Å; S122-C125 PolarHBondContact OG-SG 3.03Å; R123-C125 PolarHBondContact O-N 3Å; R123-C125 PolarHBondContact O-SG 2.98Å; C125-C143 PolarHBondContact N-SG 2.98Å; C125-C143 VanDerWaalsContact N-SG 3.37Å; C125-C143 CarbonylContact O-C 3.47Å; C125-C143 WeakPolarHBondContact O-CA 3.32Å; C125-C143 WeakPolarHBondContact O-CB 3.34Å; C125-T144 PolarHBondContact O-N 2.87Å; C125-F146 HydrophobicContact CB-CE2 3.46Å; C125-F146 VanDerWaalsContact CB-CE2 3.46Å; C125-F146 HydrophobicContact CB-CZ 3.47Å; C125-F146 VanDerWaalsContact CB-CZ 3.47Å; C125-F146 WeakPolarHBondContact O-CE2 3.21Å
126	H	96.7	Very high	97.4	Very high	70 Å²	70	28.6 Å²	28.6	32%	0.324	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.4	-176.2	-54.8	-63.4	0	0	0	112.4	C108 R109 R110 T128 T144	C108-H126 PolarHBondContact O-N 3.34Å; R109-H126 CarbonylContact C-O 3.57Å; R109-H126 VanDerWaalsContact CA-O 3.26Å; R109-H126 WeakPolarHBondContact CA-O 3.36Å; R109-H126 HydrophobicContact CG-CB 4.23Å; R110-H126 PolarHBondContact N-O 3.36Å; H126-T128 PolarHBondContact O-OG1 3.16Å; H126-T144 WeakPolarHBondContact CA-O 3.3Å; H126-T144 PolarHBondContact ND1-OG1 3.39Å
127	D	97	Very high	97.2	Very high	55 Å²	55	32.1 Å²	32.1	29%	0.294	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	57.2	52.3	176.4	-52.6	-55.2	0	0	0	112.2	R109 R110 T144 N145	R109-D127 IonicContact NE-OD2 3.09Å; R109-D127 IonicContact NH2-OD2 3.86Å; R110-D127 WeakPolarHBondContact CA-O 3.33Å; R110-D127 HydrophobicContact CG-CB 3.72Å; R110-D127 PolarHBondContact N-O 3.09Å; D127-T144 PolarHBondContact N-O 3.1Å; D127-N145 WeakPolarHBondContact CA-O 3.39Å; D127-N145 PolarHBondContact OD1-ND2 3.38Å
128	T	98.1	Very high	97.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.1	-171.5	-60.1	0	0	0	0	112.2	C111 H126 V130 N145 F146 T147	C111-T128 HydrophobicContact CB-CG2 4.43Å; C111-T128 VanDerWaalsContact O-CA 3.29Å; C111-T128 WeakPolarHBondContact O-CA 3.27Å; C111-T128 WeakPolarHBondContact O-CG2 3.15Å; H126-T128 PolarHBondContact O-OG1 3.16Å; T128-V130 HydrophobicContact CG2-CG2 3.87Å; T128-N145 PolarHBondContact N-O 3.13Å; T128-N145 VanDerWaalsContact N-O 3.14Å; T128-F146 VanDerWaalsContact CB-CZ 3.44Å; T128-F146 HydrophobicContact CG2-CD1 4.37Å; T128-F146 HydrophobicContact CG2-CE1 3.71Å; T128-F146 HydrophobicContact CG2-CE2 4.38Å; T128-F146 HydrophobicContact CG2-CZ 3.71Å; T128-F146 CarbonylContact O-C 3.59Å; T128-F146 VanDerWaalsContact O-CA 3.3Å; T128-F146 WeakPolarHBondContact O-CA 3.46Å; T128-T147 PolarHBondContact O-N 2.93Å
129	L	97.9	Very high	97	Very high	19 Å²	19	30.4 Å²	30.4	10%	0.099	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.1	173.9	173.6	60.5	0	0	0	109.9	C111 T112 V113 F131 T147 L194 H203	C111-L129 PolarHBondContact O-N 3.02Å; T112-L129 CarbonylContact C-O 3.57Å; T112-L129 WeakPolarHBondContact CA-O 3.36Å; T112-L129 HydrophobicContact CG2-CB 4.34Å; T112-L129 HydrophobicContact CG2-CD2 4.19Å; T112-L129 HydrophobicContact CG2-CG 4.26Å; V113-L129 PolarHBondContact N-O 3.29Å; L129-F131 HydrophobicContact CD1-CE2 4.31Å; L129-F131 HydrophobicContact CD1-CZ 4.34Å; L129-F131 HydrophobicContact CD2-CE2 3.64Å; L129-F131 HydrophobicContact CD2-CZ 3.86Å; L129-F131 HydrophobicContact CG-CD2 4.4Å; L129-F131 HydrophobicContact CG-CE2 3.76Å; L129-F131 HydrophobicContact CG-CZ 4.19Å; L129-T147 CarbonylContact C-O 2.89Å; L129-T147 WeakPolarHBondContact CA-O 3.34Å; L129-T147 HydrophobicContact CD1-CG2 3.73Å; L129-T147 WeakPolarHBondContact CD1-O 3.28Å; L129-L194 HydrophobicContact CD1-CD1 3.93Å; L129-L194 HydrophobicContact CD1-CD2 4.19Å; L129-L194 HydrophobicContact CD1-CG 4.01Å; L129-H203 HydrophobicContact CD2-CB 3.57Å; L129-H203 WeakPolarHBondContact CD2-ND1 3.39Å
130	V	98.4	Very high	97	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	116.6	-176	-168.2	0	0	0	0	110.9	V113 F120 T128 L132 F146 T147 F148 G149	V113-V130 HydrophobicContact CB-CG1 4.33Å; V113-V130 HydrophobicContact CG1-CG1 4.33Å; V113-V130 CarbonylContact O-C 3.57Å; V113-V130 WeakPolarHBondContact O-CA 3.29Å; F120-V130 HydrophobicContact CD2-CG1 4.36Å; F120-V130 HydrophobicContact CE2-CG1 3.65Å; F120-V130 HydrophobicContact CE2-CG2 4.45Å; F120-V130 HydrophobicContact CZ-CB 4.46Å; F120-V130 HydrophobicContact CZ-CG1 3.82Å; F120-V130 HydrophobicContact CZ-CG2 3.86Å; T128-V130 HydrophobicContact CG2-CG2 3.87Å; V130-L132 HydrophobicContact CG1-CB 4.01Å; V130-F146 HydrophobicContact CG2-CD1 4.07Å; V130-F146 HydrophobicContact CG2-CE1 3.94Å; V130-T147 PolarHBondContact N-O 3.2Å; V130-F148 HydrophobicContact CB-CD1 3.82Å; V130-F148 HydrophobicContact CB-CE1 3.86Å; V130-F148 HydrophobicContact CB-CG 4.43Å; V130-F148 HydrophobicContact CG1-CD1 4.21Å; V130-F148 HydrophobicContact CG1-CE1 4.07Å; V130-F148 HydrophobicContact CG2-CD1 4.49Å; V130-F148 HydrophobicContact CG2-CE1 4.13Å; V130-F148 HydrophobicContact CG2-CZ 4.33Å; V130-F148 CarbonylContact O-C 3.56Å; V130-F148 VanDerWaalsContact O-CA 3.3Å; V130-F148 WeakPolarHBondContact O-CA 3.4Å; V130-G149 PolarHBondContact O-N 2.82Å
131	F	97.3	Very high	96.8	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	108.2	166.1	-62.1	-86.6	0	0	0	109.1	T112 V113 A114 T115 L129 G149 L194 I200 H203 V204	T112-F131 HydrophobicContact CG2-CD2 4.34Å; T112-F131 HydrophobicContact CG2-CE2 4.06Å; V113-F131 PolarHBondContact O-N 3.46Å; A114-F131 CarbonylContact C-O 3.58Å; A114-F131 VanDerWaalsContact CA-O 3.32Å; A114-F131 WeakPolarHBondContact CA-O 3.42Å; A114-F131 HydrophobicContact CB-CB 4Å; T115-F131 PolarHBondContact N-O 2.95Å; L129-F131 HydrophobicContact CD1-CE2 4.31Å; L129-F131 HydrophobicContact CD1-CZ 4.34Å; L129-F131 HydrophobicContact CD2-CE2 3.64Å; L129-F131 HydrophobicContact CD2-CZ 3.86Å; L129-F131 HydrophobicContact CG-CD2 4.4Å; L129-F131 HydrophobicContact CG-CE2 3.76Å; L129-F131 HydrophobicContact CG-CZ 4.19Å; F131-G149 CarbonylContact C-O 3.58Å; F131-G149 VanDerWaalsContact CA-O 3.32Å; F131-G149 WeakPolarHBondContact CA-O 3.31Å; F131-L194 HydrophobicContact CD1-CD1 4.28Å; F131-L194 HydrophobicContact CE1-CD1 3.35Å; F131-L194 HydrophobicContact CZ-CD1 3.65Å; F131-I200 HydrophobicContact CB-CD1 4.01Å; F131-I200 HydrophobicContact CD1-CB 3.92Å; F131-I200 HydrophobicContact CD1-CD1 3.8Å; F131-I200 HydrophobicContact CD1-CG1 3.91Å; F131-I200 HydrophobicContact CD2-CD1 3.95Å; F131-I200 HydrophobicContact CD2-CG1 3.97Å; F131-I200 HydrophobicContact CE1-CB 3.53Å; F131-I200 HydrophobicContact CE1-CD1 4.24Å; F131-I200 HydrophobicContact CE1-CG1 3.81Å; F131-I200 HydrophobicContact CE2-CB 4.42Å; F131-I200 HydrophobicContact CE2-CD1 4.39Å; F131-I200 HydrophobicContact CE2-CG1 3.88Å; F131-I200 HydrophobicContact CG-CD1 3.64Å; F131-I200 HydrophobicContact CG-CG1 3.98Å; F131-I200 HydrophobicContact CZ-CB 3.83Å; F131-I200 HydrophobicContact CZ-CG1 3.81Å; F131-H203 HydrophobicContact CE2-CB 3.85Å; F131-H203 HydrophobicContact CZ-CB 3.9Å; F131-H203 AromaticContact CZ-CD2 3.85Å; F131-V204 HydrophobicContact CD2-CG2 3.94Å; F131-V204 HydrophobicContact CE2-CG2 3.8Å
132	L	97.7	Very high	96.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.6	-162.7	-174.9	57.7	0	0	0	112.8	T115 F120 V130 C134 P138 F148 G149 Y151 W174	T115-L132 HydrophobicContact CG2-CD1 3.76Å; T115-L132 WeakPolarHBondContact O-CA 2.98Å; F120-L132 HydrophobicContact CB-CD1 4.05Å; F120-L132 HydrophobicContact CB-CD2 3.77Å; F120-L132 HydrophobicContact CD1-CD2 4.25Å; F120-L132 HydrophobicContact CD2-CD1 3.83Å; F120-L132 HydrophobicContact CD2-CD2 4.14Å; F120-L132 HydrophobicContact CG-CD1 4.16Å; F120-L132 HydrophobicContact CG-CD2 3.78Å; V130-L132 HydrophobicContact CG1-CB 4.01Å; L132-C134 HydrophobicContact CD1-CB 4.06Å; L132-C134 HydrophobicContact CD2-CB 3.84Å; L132-C134 HydrophobicContact CG-CB 3.8Å; L132-P138 HydrophobicContact CD2-CB 3.79Å; L132-P138 HydrophobicContact CD2-CG 3.43Å; L132-P138 VanDerWaalsContact CD2-CG 3.43Å; L132-F148 HydrophobicContact CB-CD1 4.46Å; L132-F148 HydrophobicContact CD2-CD1 4.06Å; L132-F148 HydrophobicContact CD2-CE1 3.91Å; L132-G149 PolarHBondContact N-O 2.96Å; L132-Y151 VanDerWaalsContact C-CB 3.41Å; L132-Y151 PolarHBondContact O-N 3.31Å; L132-W174 HydrophobicContact CB-CB 3.95Å; L132-W174 HydrophobicContact CG-CB 4.42Å; L132-W174 WeakPolarHBondContact O-CB 3.29Å
133	A	96.4	Very high	96.4	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.033	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	103.6	155.9	0	0	0	0	0	107.5	T115 A116 C117 Y151 V247	T115-A133 PolarHBondContact O-N 2.92Å; A116-A133 CarbonylContact C-O 3.48Å; A116-A133 WeakPolarHBondContact CA-O 3.28Å; A116-A133 HydrophobicContact CB-CB 3.92Å; C117-A133 PolarHBondContact N-O 3.49Å; A133-Y151 HydrophobicContact CB-CD1 4.45Å; A133-Y151 HydrophobicContact CB-CG 4.2Å; A133-V247 HydrophobicContact CB-CG1 4.3Å; A133-V247 HydrophobicContact CB-CG2 4.47Å
134	C	96.6	Very high	96.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.4	-177.8	-162.6	0	0	0	0	110.4	C117 Q118 F120 L132 T136 P138 N173	C117-C134 WeakPolarHBondContact O-CA 3.15Å; Q118-C134 PolarHBondContact O-SG 3.5Å; F120-C134 PolarHBondContact N-SG 3.46Å; F120-C134 VanDerWaalsContact N-SG 3.43Å; L132-C134 HydrophobicContact CD1-CB 4.06Å; L132-C134 HydrophobicContact CD2-CB 3.84Å; L132-C134 HydrophobicContact CG-CB 3.8Å; C134-T136 VanDerWaalsContact C-N 3.28Å; C134-T136 WeakPolarHBondContact CB-O 3.43Å; C134-T136 PolarHBondContact SG-O 2.98Å; C134-P138 HydrophobicContact CB-CG 3.95Å; C134-N173 WeakPolarHBondContact O-CB 3.33Å; C134-N173 PolarHBondContact O-N 2.86Å
135	S	95.1	Very high	96	Very high	18 Å²	18	28.3 Å²	28.3	13%	0.126	15%	0.152	C	C	.	.	S	Bend	trans	-73.2	-24.9	174.7	-61.8	0	0	0	0	112.8	C117 N173	C117-S135 PolarHBondContact O-N 3.07Å; S135-N173 PolarHBondContact O-ND2 3.31Å
136	T	93.1	Very high	95.9	Very high	26 Å²	26	28.3 Å²	28.3	16%	0.16	15%	0.152	C	C	.	.	S	Bend	trans	-119.1	174.9	-179.3	63.2	0	0	0	0	111	Q118 Q119 C134 P138 M391	Q118-T136 HydrophobicContact CG-CG2 4.4Å; Q118-T136 WeakPolarHBondContact O-CB 3.44Å; Q118-T136 WeakPolarHBondContact O-CG2 3.28Å; Q118-T136 PolarHBondContact O-N 3.43Å; Q118-T136 VanDerWaalsContact O-N 3.13Å; Q118-T136 PolarHBondContact O-OG1 3.01Å; Q119-T136 HydrophobicContact CG-CG2 4.44Å; C134-T136 VanDerWaalsContact C-N 3.28Å; C134-T136 WeakPolarHBondContact CB-O 3.43Å; C134-T136 PolarHBondContact SG-O 2.98Å; T136-P138 VanDerWaalsContact O-CD 3.27Å; T136-P138 WeakPolarHBondContact O-CD 3.25Å; T136-M391 VanDerWaalsContact CA-SD 3.59Å; T136-M391 WeakPolarHBondContact CB-SD 3.26Å; T136-M391 HydrophobicContact CG2-SD 3.46Å; T136-M391 WeakPolarHBondContact CG2-SD 3.44Å
137	E	93.2	Very high	95.9	Very high	73 Å²	73	26.1 Å²	26.1	34%	0.341	14%	0.144	S	C	.	.			trans	-62	118.5	175.1	-161	-179.2	-158	0	0	109.3	D176	E137-D176 WeakPolarHBondContact CG-O 3.42Å
138	P	96.8	Very high	95.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.			trans	-62.5	141.7	173.5	-22.5	35.2	0	0	0	110.8	F120 L132 C134 T136 F148 N173 D176 I177 Y178	F120-P138 HydrophobicContact CB-CB 4.09Å; F120-P138 HydrophobicContact CD1-CB 4Å; F120-P138 HydrophobicContact CG-CB 4.41Å; L132-P138 HydrophobicContact CD2-CB 3.79Å; L132-P138 HydrophobicContact CD2-CG 3.43Å; L132-P138 VanDerWaalsContact CD2-CG 3.43Å; C134-P138 HydrophobicContact CB-CG 3.95Å; T136-P138 VanDerWaalsContact O-CD 3.27Å; T136-P138 WeakPolarHBondContact O-CD 3.25Å; P138-F148 HydrophobicContact CB-CE1 4.32Å; P138-N173 WeakPolarHBondContact CD-O 3.47Å; P138-N173 WeakPolarHBondContact CG-O 3.45Å; P138-D176 VanDerWaalsContact CD-O 3.24Å; P138-D176 WeakPolarHBondContact CD-O 3.46Å; P138-I177 HydrophobicContact CB-CG1 4.2Å; P138-I177 HydrophobicContact CB-CG2 4.39Å; P138-I177 WeakPolarHBondContact O-CA 3.46Å; P138-I177 WeakPolarHBondContact O-CG2 3.41Å; P138-Y178 PolarHBondContact O-N 3.4Å
139	I	96.6	Very high	95.7	Very high	47 Å²	47	23.5 Å²	23.5	24%	0.241	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.2	-176	-68.7	168.2	0	0	0	110.3	F120 R121 S122 Y178 F180	F120-I139 PolarHBondContact O-N 2.91Å; R121-I139 CarbonylContact C-O 2.98Å; R121-I139 WeakPolarHBondContact CA-O 3.46Å; S122-I139 PolarHBondContact N-O 3.16Å; I139-Y178 WeakPolarHBondContact CA-O 3.17Å; I139-F180 HydrophobicContact CD1-CE2 4.21Å; I139-F180 HydrophobicContact CG1-CE2 4.32Å; I139-F180 HydrophobicContact CG2-CD2 3.44Å; I139-F180 VanDerWaalsContact CG2-CD2 3.44Å; I139-F180 HydrophobicContact CG2-CE2 3.45Å; I139-F180 VanDerWaalsContact CG2-CE2 3.45Å
140	I	96.3	Very high	95.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	153.9	167.4	71.8	161.9	0	0	0	111.6	S122 C143 F146 F148 I177 Y178 D179 F180 H190 I191	S122-I140 CarbonylContact O-C 3.59Å; S122-I140 WeakPolarHBondContact O-CA 3.47Å; I140-C143 HydrophobicContact CB-CB 4.16Å; I140-C143 HydrophobicContact CD1-CB 4.04Å; I140-F146 HydrophobicContact CG2-CD1 4.31Å; I140-F146 HydrophobicContact CG2-CE1 4.49Å; I140-F148 HydrophobicContact CG2-CE2 4.37Å; I140-F148 HydrophobicContact CG2-CZ 4.1Å; I140-I177 HydrophobicContact CG1-CG2 4.34Å; I140-I177 HydrophobicContact CG2-CG2 3.95Å; I140-Y178 PolarHBondContact N-O 3.29Å; I140-D179 HydrophobicContact CD1-CB 4.23Å; I140-D179 HydrophobicContact CG1-CB 3.96Å; I140-F180 PolarHBondContact O-N 3.16Å; I140-H190 HydrophobicContact CD1-CB 4.45Å; I140-I191 HydrophobicContact CD1-CD1 3.47Å; I140-I191 VanDerWaalsContact CD1-CD1 3.47Å; I140-I191 HydrophobicContact CD1-CG1 3.38Å; I140-I191 HydrophobicContact CG1-CD1 3.93Å; I140-I191 HydrophobicContact CG1-CG1 4.36Å
141	E	95.7	Very high	95.4	Very high	84 Å²	84	23 Å²	23	39%	0.393	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	131.5	177.5	178.6	-176	-168.5	0	0	109.4	S122 R123 D124 C143 F180 T181	S122-E141 PolarHBondContact O-N 2.73Å; R123-E141 CarbonylContact C-O 3.43Å; R123-E141 WeakPolarHBondContact CA-O 3.27Å; R123-E141 HydrophobicContact CG-CB 4.06Å; R123-E141 HydrophobicContact CG-CG 4.1Å; D124-E141 PolarHBondContact N-O 3.19Å; E141-C143 PolarHBondContact O-N 3.18Å; E141-C143 PolarHBondContact O-SG 3.07Å; E141-F180 HydrophobicContact CB-CB 4.17Å; E141-F180 HydrophobicContact CG-CB 4.24Å; E141-T181 HydrophobicContact CG-CG2 4.01Å
142	S	93.9	Very high	95.2	Very high	51 Å²	51	23.6 Å²	23.6	36%	0.357	13%	0.131	S	C	.	.	S	Bend	trans	53.6	33.1	-177.2	-57.1	0	0	0	0	114	D124 T181	D124-S142 WeakPolarHBondContact CA-O 3.44Å; D124-S142 VanDerWaalsContact OD1-CB 3.23Å; D124-S142 WeakPolarHBondContact OD1-CB 3.33Å; S142-T181 WeakPolarHBondContact CA-OG1 3.44Å; S142-T181 PolarHBondContact N-OG1 3.15Å
143	C	94.6	Very high	95.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.			trans	-108.9	147	-176.4	-68.4	0	0	0	0	112	S122 C125 I140 E141 F146	S122-C143 PolarHBondContact OG-SG 3.15Å; C125-C143 PolarHBondContact N-SG 2.98Å; C125-C143 VanDerWaalsContact N-SG 3.37Å; C125-C143 CarbonylContact O-C 3.47Å; C125-C143 WeakPolarHBondContact O-CA 3.32Å; C125-C143 WeakPolarHBondContact O-CB 3.34Å; I140-C143 HydrophobicContact CB-CB 4.16Å; I140-C143 HydrophobicContact CD1-CB 4.04Å; E141-C143 PolarHBondContact O-N 3.18Å; E141-C143 PolarHBondContact O-SG 3.07Å; C143-F146 HydrophobicContact CB-CD2 3.67Å; C143-F146 HydrophobicContact CB-CE2 3.53Å; C143-F146 HydrophobicContact CB-CZ 4.32Å
144	T	93.6	Very high	95.1	Very high	55 Å²	55	24.4 Å²	24.4	34%	0.337	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.6	176.4	64.5	0	0	0	0	112.5	C125 H126 D127 F146	C125-T144 PolarHBondContact O-N 2.87Å; H126-T144 WeakPolarHBondContact CA-O 3.3Å; H126-T144 PolarHBondContact ND1-OG1 3.39Å; D127-T144 PolarHBondContact N-O 3.1Å; T144-F146 VanDerWaalsContact C-N 3.32Å; T144-F146 PolarHBondContact O-N 3.42Å
145	N	93.6	Very high	95.1	Very high	90 Å²	90	25 Å²	25	48%	0.481	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.4	47.6	179.5	-168.1	29.4	0	0	0	112.7	D127 T128 H190	D127-N145 WeakPolarHBondContact CA-O 3.39Å; D127-N145 PolarHBondContact OD1-ND2 3.38Å; T128-N145 PolarHBondContact N-O 3.13Å; T128-N145 VanDerWaalsContact N-O 3.14Å; N145-H190 PolarHBondContact N-O 3.02Å
146	F	96.1	Very high	95.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	139.6	169.5	-96.9	-111.6	0	0	0	110.4	S122 C125 T128 V130 I140 C143 T144 F148 H190 I191 S192	S122-F146 WeakPolarHBondContact OG-CZ 3.39Å; C125-F146 HydrophobicContact CB-CE2 3.46Å; C125-F146 VanDerWaalsContact CB-CE2 3.46Å; C125-F146 HydrophobicContact CB-CZ 3.47Å; C125-F146 VanDerWaalsContact CB-CZ 3.47Å; C125-F146 WeakPolarHBondContact O-CE2 3.21Å; T128-F146 VanDerWaalsContact CB-CZ 3.44Å; T128-F146 HydrophobicContact CG2-CD1 4.37Å; T128-F146 HydrophobicContact CG2-CE1 3.71Å; T128-F146 HydrophobicContact CG2-CE2 4.38Å; T128-F146 HydrophobicContact CG2-CZ 3.71Å; T128-F146 CarbonylContact O-C 3.59Å; T128-F146 VanDerWaalsContact O-CA 3.3Å; T128-F146 WeakPolarHBondContact O-CA 3.46Å; V130-F146 HydrophobicContact CG2-CD1 4.07Å; V130-F146 HydrophobicContact CG2-CE1 3.94Å; I140-F146 HydrophobicContact CG2-CD1 4.31Å; I140-F146 HydrophobicContact CG2-CE1 4.49Å; C143-F146 HydrophobicContact CB-CD2 3.67Å; C143-F146 HydrophobicContact CB-CE2 3.53Å; C143-F146 HydrophobicContact CB-CZ 4.32Å; T144-F146 VanDerWaalsContact C-N 3.32Å; T144-F146 PolarHBondContact O-N 3.42Å; F146-F148 HydrophobicContact CB-CD2 4.48Å; F146-F148 HydrophobicContact CB-CE2 3.96Å; F146-F148 AromaticContact CD1-CE2 3.6Å; F146-F148 HydrophobicContact CD1-CE2 3.6Å; F146-F148 AromaticContact CD1-CZ 3.79Å; F146-F148 HydrophobicContact CD1-CZ 3.79Å; F146-F148 HydrophobicContact CE1-CZ 4.41Å; F146-F148 HydrophobicContact CG-CE2 4.23Å; F146-H190 PolarHBondContact N-O 3.04Å; F146-I191 CarbonylContact O-C 3.59Å; F146-I191 WeakPolarHBondContact O-CA 3.43Å; F146-S192 PolarHBondContact O-N 2.72Å
147	T	95.8	Very high	95.2	Very high	25 Å²	25	27.8 Å²	27.8	15%	0.153	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.7	171.5	-54.7	0	0	0	0	108.7	T128 L129 V130 S192 L194	T128-T147 PolarHBondContact O-N 2.93Å; L129-T147 CarbonylContact C-O 2.89Å; L129-T147 WeakPolarHBondContact CA-O 3.34Å; L129-T147 HydrophobicContact CD1-CG2 3.73Å; L129-T147 WeakPolarHBondContact CD1-O 3.28Å; V130-T147 PolarHBondContact N-O 3.2Å; T147-S192 CarbonylContact C-O 3.51Å; T147-S192 VanDerWaalsContact CA-O 3.3Å; T147-S192 WeakPolarHBondContact CA-O 3.33Å; T147-S192 WeakPolarHBondContact CG2-OG 3.35Å; T147-S192 PolarHBondContact OG1-OG 2.83Å; T147-L194 HydrophobicContact CG2-CD2 3.66Å; T147-L194 HydrophobicContact CG2-CG 3.82Å
148	F	96.6	Very high	95.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	142.9	177.6	-72.8	-101.8	0	0	0	111.7	F120 V130 L132 P138 I140 F146 W174 I177 I191 S192 L193 L194	F120-F148 HydrophobicContact CD1-CE1 4.14Å; F120-F148 HydrophobicContact CD1-CZ 4.39Å; F120-F148 AromaticContact CE1-CE1 3.87Å; F120-F148 HydrophobicContact CE1-CE1 3.87Å; F120-F148 AromaticContact CE1-CZ 3.88Å; F120-F148 HydrophobicContact CE1-CZ 3.88Å; F120-F148 HydrophobicContact CZ-CE1 4.37Å; V130-F148 HydrophobicContact CB-CD1 3.82Å; V130-F148 HydrophobicContact CB-CE1 3.86Å; V130-F148 HydrophobicContact CB-CG 4.43Å; V130-F148 HydrophobicContact CG1-CD1 4.21Å; V130-F148 HydrophobicContact CG1-CE1 4.07Å; V130-F148 HydrophobicContact CG2-CD1 4.49Å; V130-F148 HydrophobicContact CG2-CE1 4.13Å; V130-F148 HydrophobicContact CG2-CZ 4.33Å; V130-F148 CarbonylContact O-C 3.56Å; V130-F148 VanDerWaalsContact O-CA 3.3Å; V130-F148 WeakPolarHBondContact O-CA 3.4Å; L132-F148 HydrophobicContact CB-CD1 4.46Å; L132-F148 HydrophobicContact CD2-CD1 4.06Å; L132-F148 HydrophobicContact CD2-CE1 3.91Å; P138-F148 HydrophobicContact CB-CE1 4.32Å; I140-F148 HydrophobicContact CG2-CE2 4.37Å; I140-F148 HydrophobicContact CG2-CZ 4.1Å; F146-F148 HydrophobicContact CB-CD2 4.48Å; F146-F148 HydrophobicContact CB-CE2 3.96Å; F146-F148 AromaticContact CD1-CE2 3.6Å; F146-F148 HydrophobicContact CD1-CE2 3.6Å; F146-F148 AromaticContact CD1-CZ 3.79Å; F146-F148 HydrophobicContact CD1-CZ 3.79Å; F146-F148 HydrophobicContact CE1-CZ 4.41Å; F146-F148 HydrophobicContact CG-CE2 4.23Å; F148-W174 HydrophobicContact CB-CE3 4.28Å; F148-W174 WeakPolarHBondContact O-CZ3 3.4Å; F148-I177 HydrophobicContact CB-CD1 4.1Å; F148-I177 HydrophobicContact CD1-CD1 4.37Å; F148-I177 HydrophobicContact CD1-CG1 4.07Å; F148-I177 HydrophobicContact CD2-CD1 3.89Å; F148-I177 HydrophobicContact CD2-CG1 3.71Å; F148-I177 HydrophobicContact CE1-CG1 4.08Å; F148-I177 HydrophobicContact CE2-CD1 4.39Å; F148-I177 HydrophobicContact CE2-CG1 3.7Å; F148-I177 HydrophobicContact CE2-CG2 4.18Å; F148-I177 HydrophobicContact CG-CD1 3.87Å; F148-I177 HydrophobicContact CG-CG1 3.89Å; F148-I177 HydrophobicContact CZ-CG1 3.89Å; F148-I177 HydrophobicContact CZ-CG2 4.22Å; F148-I191 HydrophobicContact CD2-CG2 3.85Å; F148-I191 HydrophobicContact CE2-CG2 4.13Å; F148-S192 PolarHBondContact N-O 2.88Å; F148-L193 HydrophobicContact CB-CD2 3.96Å; F148-L193 CarbonylContact O-C 3.53Å; F148-L193 WeakPolarHBondContact O-CA 3.27Å; F148-L194 PolarHBondContact O-N 3.06Å
149	G	95.1	Very high	95.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	168	171.3	0	0	0	0	0	111.3	V130 F131 L132 W174	V130-G149 PolarHBondContact O-N 2.82Å; F131-G149 CarbonylContact C-O 3.58Å; F131-G149 VanDerWaalsContact CA-O 3.32Å; F131-G149 WeakPolarHBondContact CA-O 3.31Å; L132-G149 PolarHBondContact N-O 2.96Å; G149-W174 VanDerWaalsContact C-CE3 3.42Å
150	P	94.4	Very high	95.5	Very high	7 Å²	7	31.8 Å²	31.8	5%	0.045	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	142.7	177.4	26.5	-30.6	0	0	0	111.6	Q152 W174 Y249	P150-Q152 PolarHBondContact O-N 2.84Å; P150-W174 HydrophobicContact CB-CD2 4.21Å; P150-W174 HydrophobicContact CB-CG 4.37Å; P150-W174 HydrophobicContact CB-CZ2 4.26Å; P150-W174 HydrophobicContact CG-CZ2 4.2Å; P150-Y249 HydrophobicContact CB-CD2 4.27Å; P150-Y249 HydrophobicContact CB-CE2 4.3Å; P150-Y249 HydrophobicContact CG-CD2 3.68Å; P150-Y249 HydrophobicContact CG-CE2 3.27Å
151	Y	95.1	Very high	95.6	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.008	19%	0.185	C	C	.	.			trans	-65.7	130.2	171.6	-177.3	-95.7	0	0	0	111.8	T96 T115 A116 L132 A133 C153 L158 F162 V247	T96-Y151 PolarHBondContact O-OH 3.3Å; T115-Y151 VanDerWaalsContact C-CD2 3.41Å; T115-Y151 VanDerWaalsContact C-CE2 3.49Å; T115-Y151 WeakPolarHBondContact O-CD2 3.3Å; A116-Y151 HydrophobicContact CB-CE1 4.42Å; A116-Y151 HydrophobicContact CB-CE2 4.37Å; L132-Y151 VanDerWaalsContact C-CB 3.41Å; L132-Y151 PolarHBondContact O-N 3.31Å; A133-Y151 HydrophobicContact CB-CD1 4.45Å; A133-Y151 HydrophobicContact CB-CG 4.2Å; Y151-C153 HydrophobicContact CE1-CB 3.82Å; Y151-C153 HydrophobicContact CE2-CB 3.88Å; Y151-C153 VanDerWaalsContact CE2-SG 3.51Å; Y151-C153 VanDerWaalsContact CZ-CB 3.45Å; Y151-C153 WeakPolarHBondContact OH-CB 3.45Å; Y151-L158 HydrophobicContact CE1-CD2 4.3Å; Y151-F162 HydrophobicContact CE1-CE2 4.33Å; Y151-F162 HydrophobicContact CE1-CZ 4.35Å; Y151-V247 HydrophobicContact CD1-CB 4.46Å; Y151-V247 HydrophobicContact CD1-CG2 3.95Å; Y151-V247 HydrophobicContact CE1-CG2 4.43Å
152	Q	93.5	Very high	95.7	Very high	14 Å²	14	28.6 Å²	28.6	7%	0.065	17%	0.168	C	C	.	.			trans	-131.1	6.2	-174.6	-69.9	171.6	-63.3	0	0	113.4	P150 I200	P150-Q152 PolarHBondContact O-N 2.84Å; Q152-I200 HydrophobicContact CB-CD1 4.25Å; Q152-I200 HydrophobicContact CB-CG2 3.99Å
153	C	95	Very high	95.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.179	C	C	.	.			trans	-64.6	145.4	-178.7	-50.6	0	0	0	0	111.6	Y151 L158 L238 S239 F240	Y151-C153 HydrophobicContact CE1-CB 3.82Å; Y151-C153 HydrophobicContact CE2-CB 3.88Å; Y151-C153 VanDerWaalsContact CE2-SG 3.51Å; Y151-C153 VanDerWaalsContact CZ-CB 3.45Å; Y151-C153 WeakPolarHBondContact OH-CB 3.45Å; C153-L158 WeakPolarHBondContact O-CD2 3.49Å; C153-L238 HydrophobicContact CB-CD1 4.38Å; C153-S239 CarbonylContact C-O 3.54Å; C153-F240 HydrophobicContact CB-CD1 4.36Å; C153-F240 HydrophobicContact CB-CE1 4.43Å
154	S	96.2	Very high	96	Very high	21 Å²	21	32.1 Å²	32.1	15%	0.147	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-142.9	126	173	168.7	0	0	0	0	109.1	L238 S239 N244	S154-L238 CarbonylContact O-C 3.56Å; S154-L238 WeakPolarHBondContact O-CA 3.46Å; S154-S239 PolarHBondContact N-O 2.99Å; S154-S239 PolarHBondContact O-N 2.8Å; S154-N244 VanDerWaalsContact CB-O 3.29Å; S154-N244 WeakPolarHBondContact CB-O 3.4Å; S154-N244 PolarHBondContact OG-O 2.93Å; S154-N244 VanDerWaalsContact OG-O 3.09Å
155	Y	96.7	Very high	96.2	Very high	11 Å²	11	29.7 Å²	29.7	4%	0.043	19%	0.185	C	C	.	.			trans	-150.7	160.6	171.5	62.3	-92.2	0	0	0	109.7	L78 G97 G157 L158 H161 L238	L78-Y155 HydrophobicContact CB-CD2 4.22Å; L78-Y155 HydrophobicContact CB-CE2 4.03Å; L78-Y155 HydrophobicContact CD2-CD1 4.13Å; L78-Y155 HydrophobicContact CD2-CE1 4.14Å; L78-Y155 VanDerWaalsContact O-CE2 3.26Å; L78-Y155 WeakPolarHBondContact O-CE2 3.25Å; G97-Y155 WeakPolarHBondContact CA-OH 3.41Å; Y155-G157 PolarHBondContact O-N 3.42Å; Y155-L158 HydrophobicContact CD1-CB 4.16Å; Y155-L158 HydrophobicContact CD1-CD1 4.38Å; Y155-L158 HydrophobicContact CD1-CD2 4.39Å; Y155-L158 HydrophobicContact CD2-CB 4.35Å; Y155-L158 HydrophobicContact CE1-CB 4.03Å; Y155-L158 HydrophobicContact CE1-CD1 3.6Å; Y155-L158 HydrophobicContact CE1-CD2 4.37Å; Y155-L158 HydrophobicContact CE1-CG 4.2Å; Y155-L158 HydrophobicContact CE2-CB 4.23Å; Y155-L158 HydrophobicContact CG-CB 4.31Å; Y155-L158 VanDerWaalsContact O-CB 3.25Å; Y155-L158 WeakPolarHBondContact O-CB 3.48Å; Y155-L158 PolarHBondContact O-N 3.3Å; Y155-L158 VanDerWaalsContact O-N 3.1Å; Y155-H161 AromaticContact CE2-CE1 3.66Å; Y155-H161 AromaticContact CE2-ND1 3.4Å; Y155-H161 WeakPolarHBondContact CE2-ND1 3.48Å; Y155-H161 AromaticContact CZ-ND1 3.65Å; Y155-H161 PolarHBondContact OH-ND1 3.47Å; Y155-H161 VanDerWaalsContact OH-ND1 3.09Å; Y155-L238 HydrophobicContact CD1-CD1 3.98Å; Y155-L238 HydrophobicContact CG-CD1 4.44Å
156	P	95.5	Very high	96.4	Very high	77 Å²	77	28.7 Å²	28.7	50%	0.5	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	129.6	-179.9	-25	36	0	0	0	111.9	P237	P156-P237 HydrophobicContact CG-CG 3.51Å
157	G	95.9	Very high	96.4	Very high	27 Å²	27	29.6 Å²	29.6	28%	0.278	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-4.4	-177.8	0	0	0	0	0	115.2	Y155 E159 D160 H161	Y155-G157 PolarHBondContact O-N 3.42Å; G157-E159 VanDerWaalsContact C-N 3.31Å; G157-E159 PolarHBondContact O-N 2.86Å; G157-D160 PolarHBondContact O-N 2.9Å; G157-D160 VanDerWaalsContact O-N 3.14Å; G157-H161 PolarHBondContact O-N 3.46Å; G157-H161 PolarHBondContact O-ND1 3.43Å
158	L	97.7	Very high	96.4	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-55.5	-42.7	-179.9	175.7	59.1	0	0	0	113.1	P98 Y151 C153 Y155 H161 F162 V246	P98-L158 HydrophobicContact CG-CD1 3.78Å; Y151-L158 HydrophobicContact CE1-CD2 4.3Å; C153-L158 WeakPolarHBondContact O-CD2 3.49Å; Y155-L158 HydrophobicContact CD1-CB 4.16Å; Y155-L158 HydrophobicContact CD1-CD1 4.38Å; Y155-L158 HydrophobicContact CD1-CD2 4.39Å; Y155-L158 HydrophobicContact CD2-CB 4.35Å; Y155-L158 HydrophobicContact CE1-CB 4.03Å; Y155-L158 HydrophobicContact CE1-CD1 3.6Å; Y155-L158 HydrophobicContact CE1-CD2 4.37Å; Y155-L158 HydrophobicContact CE1-CG 4.2Å; Y155-L158 HydrophobicContact CE2-CB 4.23Å; Y155-L158 HydrophobicContact CG-CB 4.31Å; Y155-L158 VanDerWaalsContact O-CB 3.25Å; Y155-L158 WeakPolarHBondContact O-CB 3.48Å; Y155-L158 PolarHBondContact O-N 3.3Å; Y155-L158 VanDerWaalsContact O-N 3.1Å; L158-H161 WeakPolarHBondContact O-CB 3.27Å; L158-H161 PolarHBondContact O-N 3.41Å; L158-F162 HydrophobicContact CD1-CD2 3.81Å; L158-F162 HydrophobicContact CD1-CE2 3.66Å; L158-F162 HydrophobicContact CD2-CE2 4.41Å; L158-F162 HydrophobicContact CG-CD2 4Å; L158-F162 HydrophobicContact CG-CE2 3.96Å; L158-F162 WeakPolarHBondContact O-CD2 3.43Å; L158-F162 PolarHBondContact O-N 2.65Å; L158-V246 HydrophobicContact CD2-CG2 4.26Å
159	E	95.9	Very high	96.4	Very high	82 Å²	82	30.3 Å²	30.3	38%	0.383	21%	0.206	S	C	.	.	H	α-helix	trans	-63.1	-43.3	178	-179.9	170.1	-174.8	0	0	112.4	G157 H161 F162 A163 V246 K291	G157-E159 VanDerWaalsContact C-N 3.31Å; G157-E159 PolarHBondContact O-N 2.86Å; E159-H161 VanDerWaalsContact C-N 3.26Å; E159-H161 PolarHBondContact O-N 3.36Å; E159-F162 WeakPolarHBondContact O-CB 3.39Å; E159-F162 PolarHBondContact O-N 2.65Å; E159-A163 PolarHBondContact O-N 2.92Å; E159-V246 HydrophobicContact CB-CG1 4.11Å; E159-V246 HydrophobicContact CG-CG1 4.33Å; E159-K291 IonicContact OE1-NZ 3.47Å; E159-K291 PolarHBondContact OE1-NZ 2.85Å; E159-K291 IonicContact OE2-NZ 2.83Å; E159-K291 PolarHBondContact OE2-NZ 2.89Å
160	D	97.8	Very high	96.5	Very high	120 Å²	120	30.4 Å²	30.4	64%	0.642	21%	0.207	S	C	*	.	H	α-helix	trans	-64.2	-35.5	175.9	-64.1	-37.6	0	0	0	110.9	G157 A163 A164	G157-D160 PolarHBondContact O-N 2.9Å; G157-D160 VanDerWaalsContact O-N 3.14Å; D160-A163 PolarHBondContact O-N 3.08Å; D160-A164 VanDerWaalsContact O-CB 3.3Å; D160-A164 WeakPolarHBondContact O-CB 3.21Å; D160-A164 PolarHBondContact O-N 3.07Å
161	H	98.7	Very high	96.5	Very high	12 Å²	12	31.3 Å²	31.3	6%	0.056	21%	0.211	C	C	.	.	H	α-helix	trans	-67.2	-35.6	174.2	-63.3	155.6	0	0	0	113	S57 L78 D79 H80 P98 Y155 G157 L158 E159 S165	S57-H161 PolarHBondContact OG-CE1 2.8Å; S57-H161 VanDerWaalsContact OG-CE1 3.32Å; S57-H161 PolarHBondContact OG-NE2 2.57Å; L78-H161 PolarHBondContact O-CE1 3.47Å; D79-H161 IonicContact OD1-CD2 2.6Å; D79-H161 IonicContact OD1-CE1 3.53Å; D79-H161 IonicContact OD1-NE2 3.59Å; D79-H161 PolarHBondContact OD1-NE2 3.32Å; H80-H161 HydrophobicContact CB-CB 3.95Å; H80-H161 AromaticContact ND1-CD2 3.88Å; P98-H161 HydrophobicContact CG-CB 4.06Å; Y155-H161 AromaticContact CE2-CE1 3.66Å; Y155-H161 AromaticContact CE2-ND1 3.4Å; Y155-H161 WeakPolarHBondContact CE2-ND1 3.48Å; Y155-H161 AromaticContact CZ-ND1 3.65Å; Y155-H161 PolarHBondContact OH-ND1 3.47Å; Y155-H161 VanDerWaalsContact OH-ND1 3.09Å; G157-H161 PolarHBondContact O-N 3.46Å; G157-H161 PolarHBondContact O-ND1 3.43Å; L158-H161 WeakPolarHBondContact O-CB 3.27Å; L158-H161 PolarHBondContact O-N 3.41Å; E159-H161 VanDerWaalsContact C-N 3.26Å; E159-H161 PolarHBondContact O-N 3.36Å; H161-S165 VanDerWaalsContact O-CB 3.31Å; H161-S165 WeakPolarHBondContact O-CB 3.37Å; H161-S165 PolarHBondContact O-N 3.47Å; H161-S165 PolarHBondContact O-OG 2.71Å
162	F	98.3	Very high	96.3	Very high	5 Å²	5	31.3 Å²	31.3	2%	0.022	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-47.3	171	-94.4	-83.9	0	0	0	110.3	P98 A116 Y151 L158 E159 S165 G166 L167 I169 V247	P98-F162 HydrophobicContact CB-CD1 4.31Å; P98-F162 HydrophobicContact CB-CD2 4.46Å; P98-F162 HydrophobicContact CB-CG 4.26Å; P98-F162 HydrophobicContact CG-CB 4.32Å; P98-F162 HydrophobicContact CG-CD1 4.16Å; P98-F162 HydrophobicContact CG-CD2 3.48Å; P98-F162 VanDerWaalsContact CG-CD2 3.48Å; P98-F162 HydrophobicContact CG-CE1 4.36Å; P98-F162 HydrophobicContact CG-CE2 3.72Å; P98-F162 HydrophobicContact CG-CG 3.71Å; P98-F162 HydrophobicContact CG-CZ 4.15Å; A116-F162 HydrophobicContact CB-CE1 3.8Å; A116-F162 HydrophobicContact CB-CE2 4.4Å; A116-F162 HydrophobicContact CB-CZ 3.46Å; A116-F162 VanDerWaalsContact CB-CZ 3.46Å; Y151-F162 HydrophobicContact CE1-CE2 4.33Å; Y151-F162 HydrophobicContact CE1-CZ 4.35Å; L158-F162 HydrophobicContact CD1-CD2 3.81Å; L158-F162 HydrophobicContact CD1-CE2 3.66Å; L158-F162 HydrophobicContact CD2-CE2 4.41Å; L158-F162 HydrophobicContact CG-CD2 4Å; L158-F162 HydrophobicContact CG-CE2 3.96Å; L158-F162 WeakPolarHBondContact O-CD2 3.43Å; L158-F162 PolarHBondContact O-N 2.65Å; E159-F162 WeakPolarHBondContact O-CB 3.39Å; E159-F162 PolarHBondContact O-N 2.65Å; F162-S165 PolarHBondContact O-N 3Å; F162-G166 PolarHBondContact O-N 2.89Å; F162-L167 HydrophobicContact CD1-CB 3.79Å; F162-L167 HydrophobicContact CE1-CB 4.38Å; F162-L167 PolarHBondContact O-N 2.93Å; F162-I169 HydrophobicContact CB-CG2 3.86Å; F162-I169 HydrophobicContact CD1-CG2 3.77Å; F162-I169 HydrophobicContact CD2-CG2 3.85Å; F162-I169 HydrophobicContact CE1-CG2 4.26Å; F162-I169 HydrophobicContact CE2-CG2 4.32Å; F162-I169 HydrophobicContact CG-CG2 3.56Å; F162-V247 HydrophobicContact CE1-CG2 4.21Å; F162-V247 HydrophobicContact CE2-CG2 3.86Å; F162-V247 HydrophobicContact CZ-CG2 3.44Å; F162-V247 VanDerWaalsContact CZ-CG2 3.44Å
163	A	96.9	Very high	96.3	Very high	72 Å²	72	31.4 Å²	31.4	60%	0.595	21%	0.212	S	C	*	.	H	α-helix	trans	-62.3	-45.4	177.7	0	0	0	0	0	112.3	E159 D160 S165 G166	E159-A163 PolarHBondContact O-N 2.92Å; D160-A163 PolarHBondContact O-N 3.08Å; A163-S165 VanDerWaalsContact C-N 3.25Å; A163-S165 PolarHBondContact O-N 3.28Å; A163-G166 PolarHBondContact O-N 2.81Å
164	A	98.1	Very high	96.3	Very high	54 Å²	54	31.4 Å²	31.4	45%	0.446	21%	0.212	S	C	.	.	H	α-helix	trans	-62.9	-32	177.2	0	0	0	0	0	112.5	D160 G166	D160-A164 VanDerWaalsContact O-CB 3.3Å; D160-A164 WeakPolarHBondContact O-CB 3.21Å; D160-A164 PolarHBondContact O-N 3.07Å; A164-G166 VanDerWaalsContact C-N 3.27Å; A164-G166 PolarHBondContact O-N 3.1Å
165	S	97.9	Very high	96.1	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.021	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-8	174	-58.1	0	0	0	0	113.5	H80 P98 K100 H161 F162 A163 L167	H80-S165 WeakPolarHBondContact CB-OG 3.44Å; P98-S165 PolarHBondContact O-OG 2.99Å; K100-S165 WeakPolarHBondContact CG-O 3.42Å; H161-S165 VanDerWaalsContact O-CB 3.31Å; H161-S165 WeakPolarHBondContact O-CB 3.37Å; H161-S165 PolarHBondContact O-N 3.47Å; H161-S165 PolarHBondContact O-OG 2.71Å; F162-S165 PolarHBondContact O-N 3Å; A163-S165 VanDerWaalsContact C-N 3.25Å; A163-S165 PolarHBondContact O-N 3.28Å; S165-L167 PolarHBondContact O-N 3.48Å
166	G	96.3	Very high	95.8	Very high	70 Å²	70	33.7 Å²	33.7	72%	0.722	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.8	19.6	-173.4	0	0	0	0	0	113.7	F162 A163 A164	F162-G166 PolarHBondContact O-N 2.89Å; A163-G166 PolarHBondContact O-N 2.81Å; A164-G166 VanDerWaalsContact C-N 3.27Å; A164-G166 PolarHBondContact O-N 3.1Å
167	L	97.2	Very high	95.7	Very high	18 Å²	18	30.5 Å²	30.5	9%	0.094	20%	0.202	C	C	.	.			trans	-94.6	140.2	-179.7	-65	177.4	0	0	0	110.3	P98 Q118 F162 S165	P98-L167 HydrophobicContact CB-CD1 3.93Å; Q118-L167 HydrophobicContact CB-CD2 3.9Å; F162-L167 HydrophobicContact CD1-CB 3.79Å; F162-L167 HydrophobicContact CE1-CB 4.38Å; F162-L167 PolarHBondContact O-N 2.93Å; S165-L167 PolarHBondContact O-N 3.48Å
168	S	96.3	Very high	95.6	Very high	28 Å²	28	34.3 Å²	34.3	20%	0.196	21%	0.208	C	C	.	.			trans	-88.5	130.1	171.2	-170.7	0	0	0	0	110.5	F170 N171 C310	S168-F170 PolarHBondContact O-N 3.31Å; S168-F170 VanDerWaalsContact O-N 3.08Å; S168-F170 PolarHBondContact OG-N 2.86Å; S168-N171 PolarHBondContact O-N 3.4Å; S168-N171 VanDerWaalsContact O-N 3.1Å; S168-C310 VanDerWaalsContact OG-CB 3.27Å; S168-C310 WeakPolarHBondContact OG-CB 3.28Å
169	I	96.7	Very high	95.4	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.067	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.4	171	63.7	171.7	0	0	0	112.8	F162 V246 P248 K291	F162-I169 HydrophobicContact CB-CG2 3.86Å; F162-I169 HydrophobicContact CD1-CG2 3.77Å; F162-I169 HydrophobicContact CD2-CG2 3.85Å; F162-I169 HydrophobicContact CE1-CG2 4.26Å; F162-I169 HydrophobicContact CE2-CG2 4.32Å; F162-I169 HydrophobicContact CG-CG2 3.56Å; I169-V246 HydrophobicContact CB-CG1 4.34Å; I169-V246 HydrophobicContact CD1-CG1 3.93Å; I169-V246 HydrophobicContact CG2-CG1 3.76Å; I169-P248 WeakPolarHBondContact O-CD 3.32Å; I169-K291 HydrophobicContact CD1-CD 4.42Å; I169-K291 VanDerWaalsContact CD1-CE 3.4Å; I169-K291 HydrophobicContact CD1-CG 4.25Å
170	F	96.5	Very high	95.2	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	2	178.2	-56.1	-71.7	0	0	0	113.3	S168 P248 I287 A290 K291 T308 S309 C310 I335	S168-F170 PolarHBondContact O-N 3.31Å; S168-F170 VanDerWaalsContact O-N 3.08Å; S168-F170 PolarHBondContact OG-N 2.86Å; F170-P248 HydrophobicContact CD1-CG 3.89Å; F170-P248 HydrophobicContact CE1-CG 3.99Å; F170-I287 HydrophobicContact CE2-CB 4.48Å; F170-I287 HydrophobicContact CE2-CG1 4.4Å; F170-I287 HydrophobicContact CE2-CG2 4.09Å; F170-I287 HydrophobicContact CZ-CG2 4.41Å; F170-A290 HydrophobicContact CD1-CB 4.48Å; F170-A290 HydrophobicContact CE1-CB 3.6Å; F170-A290 HydrophobicContact CE2-CB 4.06Å; F170-A290 HydrophobicContact CZ-CB 3.35Å; F170-K291 HydrophobicContact CZ-CG 4.17Å; F170-T308 CarbonylContact O-C 3.56Å; F170-T308 WeakPolarHBondContact O-CB 3.47Å; F170-T308 PolarHBondContact O-OG1 2.89Å; F170-S309 WeakPolarHBondContact O-CA 3.14Å; F170-S309 PolarHBondContact O-N 3.02Å; F170-S309 VanDerWaalsContact O-N 3.1Å; F170-C310 HydrophobicContact CB-CB 3.96Å; F170-C310 HydrophobicContact CD2-CB 4.46Å; F170-I335 HydrophobicContact CB-CG2 4.31Å; F170-I335 HydrophobicContact CD1-CG2 4.11Å; F170-I335 HydrophobicContact CD2-CD1 3.86Å; F170-I335 HydrophobicContact CD2-CG1 4.11Å; F170-I335 HydrophobicContact CD2-CG2 4.17Å; F170-I335 HydrophobicContact CE2-CD1 3.66Å; F170-I335 HydrophobicContact CE2-CG1 4.42Å; F170-I335 HydrophobicContact CG-CG2 3.93Å; F170-I335 HydrophobicContact CZ-CD1 4.33Å
171	N	94.3	Very high	94.9	Very high	26 Å²	26	33.8 Å²	33.8	14%	0.139	21%	0.205	C	C	.	.			trans	-106.1	99.6	177	-72.3	-14.4	0	0	0	109.8	S168 S309 C310	S168-N171 PolarHBondContact O-N 3.4Å; S168-N171 VanDerWaalsContact O-N 3.1Å; N171-S309 WeakPolarHBondContact OD1-CA 3.29Å; N171-C310 PolarHBondContact ND2-O 3.37Å; N171-C310 PolarHBondContact OD1-N 3.1Å; N171-C310 PolarHBondContact OD1-O 2.89Å
172	C	91.1	Very high	94.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.014	23%	0.228	C	C	.	.			trans	-136.9	82.8	-171.6	-162.1	0	0	0	0	111.9	W174 V247	C172-W174 VanDerWaalsContact C-N 3.33Å; C172-W174 PolarHBondContact O-N 3.47Å; C172-W174 VanDerWaalsContact SG-CD1 3.51Å; C172-V247 HydrophobicContact CB-CG1 4.32Å
173	N	93.3	Very high	92.9	Very high	15 Å²	15	40.8 Å²	40.8	8%	0.08	25%	0.247	C	C	.	.			trans	-94.1	36.2	-178	-65.4	-38.6	0	0	0	113.1	C134 S135 P138 Y175 H387	C134-N173 WeakPolarHBondContact O-CB 3.33Å; C134-N173 PolarHBondContact O-N 2.86Å; S135-N173 PolarHBondContact O-ND2 3.31Å; P138-N173 WeakPolarHBondContact CD-O 3.47Å; P138-N173 WeakPolarHBondContact CG-O 3.45Å; N173-Y175 PolarHBondContact O-N 3.37Å; N173-Y175 VanDerWaalsContact O-N 3.15Å; N173-H387 PolarHBondContact ND2-NE2 3.34Å
174	W	95.1	Very high	91.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.1	-172.6	67.2	-90.4	0	0	0	115.3	L132 F148 G149 P150 C172 I177 L193 T250 I251 L255	L132-W174 HydrophobicContact CB-CB 3.95Å; L132-W174 HydrophobicContact CG-CB 4.42Å; L132-W174 WeakPolarHBondContact O-CB 3.29Å; F148-W174 HydrophobicContact CB-CE3 4.28Å; F148-W174 WeakPolarHBondContact O-CZ3 3.4Å; G149-W174 VanDerWaalsContact C-CE3 3.42Å; P150-W174 HydrophobicContact CB-CD2 4.21Å; P150-W174 HydrophobicContact CB-CG 4.37Å; P150-W174 HydrophobicContact CB-CZ2 4.26Å; P150-W174 HydrophobicContact CG-CZ2 4.2Å; C172-W174 VanDerWaalsContact C-N 3.33Å; C172-W174 PolarHBondContact O-N 3.47Å; C172-W174 VanDerWaalsContact SG-CD1 3.51Å; W174-I177 VanDerWaalsContact O-CD1 3.32Å; W174-I177 WeakPolarHBondContact O-CD1 3.24Å; W174-L193 HydrophobicContact CZ3-CB 4.34Å; W174-L193 HydrophobicContact CZ3-CD2 4.06Å; W174-T250 WeakPolarHBondContact CZ2-O 3.32Å; W174-T250 PolarHBondContact NE1-O 2.63Å; W174-T250 PolarHBondContact NE1-OG1 2.59Å; W174-I251 WeakPolarHBondContact CZ2-O 3.27Å; W174-L255 HydrophobicContact CH2-CD2 4.15Å
175	Y	92.2	Very high	89.7	Confident	11 Å²	11	50.6 Å²	50.6	4%	0.043	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-12.4	-171.2	62.1	-93.3	0	0	0	114.1	N173 I177 G252 N253 K254 Q307	N173-Y175 PolarHBondContact O-N 3.37Å; N173-Y175 VanDerWaalsContact O-N 3.15Å; Y175-I177 VanDerWaalsContact C-CD1 3.45Å; Y175-I177 WeakPolarHBondContact O-CD1 3.27Å; Y175-G252 VanDerWaalsContact CE1-CA 3.42Å; Y175-G252 VanDerWaalsContact CG-CA 3.47Å; Y175-N253 HydrophobicContact CE2-CB 4.13Å; Y175-K254 HydrophobicContact CD2-CB 3.97Å; Y175-K254 WeakPolarHBondContact O-CD 3.39Å; Y175-Q307 PolarHBondContact OH-OE1 2.98Å
176	D	90.4	Very high	87.6	Confident	70 Å²	70	53.7 Å²	53.7	37%	0.374	30%	0.295	S	S	.	.			trans	-105.1	74.6	-176.2	-157.8	24.1	0	0	0	109.4	E137 P138	E137-D176 WeakPolarHBondContact CG-O 3.42Å; P138-D176 VanDerWaalsContact CD-O 3.24Å; P138-D176 WeakPolarHBondContact CD-O 3.46Å
177	I	93.4	Very high	85.5	Confident	9 Å²	9	58.6 Å²	58.6	5%	0.046	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-91.5	132	-175.4	-53	78.7	0	0	0	110.2	P138 I140 F148 W174 Y175 I191 L193	P138-I177 HydrophobicContact CB-CG1 4.2Å; P138-I177 HydrophobicContact CB-CG2 4.39Å; P138-I177 WeakPolarHBondContact O-CA 3.46Å; P138-I177 WeakPolarHBondContact O-CG2 3.41Å; I140-I177 HydrophobicContact CG1-CG2 4.34Å; I140-I177 HydrophobicContact CG2-CG2 3.95Å; F148-I177 HydrophobicContact CB-CD1 4.1Å; F148-I177 HydrophobicContact CD1-CD1 4.37Å; F148-I177 HydrophobicContact CD1-CG1 4.07Å; F148-I177 HydrophobicContact CD2-CD1 3.89Å; F148-I177 HydrophobicContact CD2-CG1 3.71Å; F148-I177 HydrophobicContact CE1-CG1 4.08Å; F148-I177 HydrophobicContact CE2-CD1 4.39Å; F148-I177 HydrophobicContact CE2-CG1 3.7Å; F148-I177 HydrophobicContact CE2-CG2 4.18Å; F148-I177 HydrophobicContact CG-CD1 3.87Å; F148-I177 HydrophobicContact CG-CG1 3.89Å; F148-I177 HydrophobicContact CZ-CG1 3.89Å; F148-I177 HydrophobicContact CZ-CG2 4.22Å; W174-I177 VanDerWaalsContact O-CD1 3.32Å; W174-I177 WeakPolarHBondContact O-CD1 3.24Å; Y175-I177 VanDerWaalsContact C-CD1 3.45Å; Y175-I177 WeakPolarHBondContact O-CD1 3.27Å; I177-I191 HydrophobicContact CB-CD1 3.87Å; I177-I191 HydrophobicContact CB-CG2 4.27Å; I177-I191 HydrophobicContact CD1-CG2 4.04Å; I177-I191 HydrophobicContact CG1-CG2 4.2Å; I177-I191 HydrophobicContact CG2-CD1 3.58Å; I177-L193 HydrophobicContact CD1-CD2 3.8Å
178	Y	93.3	Very high	83.5	Confident	107 Å²	107	60.5 Å²	60.5	42%	0.42	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.7	170.5	-170.1	-90.2	0	0	0	111.3	P138 I139 I140 F180	P138-Y178 PolarHBondContact O-N 3.4Å; I139-Y178 WeakPolarHBondContact CA-O 3.17Å; I140-Y178 PolarHBondContact N-O 3.29Å; Y178-F180 AromaticContact CD1-CD2 3.63Å; Y178-F180 HydrophobicContact CD1-CD2 3.63Å; Y178-F180 HydrophobicContact CD1-CE1 4.46Å; Y178-F180 AromaticContact CD1-CE2 3.54Å; Y178-F180 HydrophobicContact CD1-CE2 3.54Å; Y178-F180 HydrophobicContact CD1-CG 4.12Å; Y178-F180 AromaticContact CD1-CZ 3.99Å; Y178-F180 HydrophobicContact CD1-CZ 3.99Å; Y178-F180 AromaticContact CE1-CD1 3.74Å; Y178-F180 HydrophobicContact CE1-CD1 3.74Å; Y178-F180 AromaticContact CE1-CD2 3.67Å; Y178-F180 HydrophobicContact CE1-CD2 3.67Å; Y178-F180 AromaticContact CE1-CE1 3.69Å; Y178-F180 HydrophobicContact CE1-CE1 3.69Å; Y178-F180 AromaticContact CE1-CE2 3.6Å; Y178-F180 HydrophobicContact CE1-CE2 3.6Å; Y178-F180 AromaticContact CE1-CG 3.73Å; Y178-F180 HydrophobicContact CE1-CG 3.73Å; Y178-F180 AromaticContact CE1-CZ 3.61Å; Y178-F180 HydrophobicContact CE1-CZ 3.61Å
179	D	93.3	Very high	82	Confident	31 Å²	31	64.5 Å²	64.5	17%	0.166	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116.2	174.9	-170	-9.2	0	0	0	110.1	I140 T181 H190 I191	I140-D179 HydrophobicContact CD1-CB 4.23Å; I140-D179 HydrophobicContact CG1-CB 3.96Å; D179-T181 VanDerWaalsContact C-N 3.32Å; D179-T181 PolarHBondContact OD1-N 3.09Å; D179-T181 PolarHBondContact OD1-OG1 3.19Å; D179-H190 IonicContact OD2-CE1 2.76Å; D179-H190 IonicContact OD2-CG 3.42Å; D179-H190 IonicContact OD2-ND1 3.31Å; D179-H190 PolarHBondContact OD2-ND1 3.18Å; D179-I191 HydrophobicContact CB-CD1 4.01Å
180	F	92.7	Very high	81.4	Confident	114 Å²	114	64.5 Å²	64.5	50%	0.5	35%	0.346	S	S	.	.	S	Bend	trans	-75.5	-18.6	176.4	-89.1	-81.3	0	0	0	113.8	I139 I140 E141 Y178 P182	I139-F180 HydrophobicContact CD1-CE2 4.21Å; I139-F180 HydrophobicContact CG1-CE2 4.32Å; I139-F180 HydrophobicContact CG2-CD2 3.44Å; I139-F180 VanDerWaalsContact CG2-CD2 3.44Å; I139-F180 HydrophobicContact CG2-CE2 3.45Å; I139-F180 VanDerWaalsContact CG2-CE2 3.45Å; I140-F180 PolarHBondContact O-N 3.16Å; E141-F180 HydrophobicContact CB-CB 4.17Å; E141-F180 HydrophobicContact CG-CB 4.24Å; Y178-F180 AromaticContact CD1-CD2 3.63Å; Y178-F180 HydrophobicContact CD1-CD2 3.63Å; Y178-F180 HydrophobicContact CD1-CE1 4.46Å; Y178-F180 AromaticContact CD1-CE2 3.54Å; Y178-F180 HydrophobicContact CD1-CE2 3.54Å; Y178-F180 HydrophobicContact CD1-CG 4.12Å; Y178-F180 AromaticContact CD1-CZ 3.99Å; Y178-F180 HydrophobicContact CD1-CZ 3.99Å; Y178-F180 AromaticContact CE1-CD1 3.74Å; Y178-F180 HydrophobicContact CE1-CD1 3.74Å; Y178-F180 AromaticContact CE1-CD2 3.67Å; Y178-F180 HydrophobicContact CE1-CD2 3.67Å; Y178-F180 AromaticContact CE1-CE1 3.69Å; Y178-F180 HydrophobicContact CE1-CE1 3.69Å; Y178-F180 AromaticContact CE1-CE2 3.6Å; Y178-F180 HydrophobicContact CE1-CE2 3.6Å; Y178-F180 AromaticContact CE1-CG 3.73Å; Y178-F180 HydrophobicContact CE1-CG 3.73Å; Y178-F180 AromaticContact CE1-CZ 3.61Å; Y178-F180 HydrophobicContact CE1-CZ 3.61Å; F180-P182 VanDerWaalsContact C-CD 3.47Å
181	T	90	Very high	81.1	Confident	47 Å²	47	65.6 Å²	65.6	29%	0.288	35%	0.352	S	S	.	.	S	Bend	trans	-131.1	64.7	-176	55.9	0	0	0	0	110	E141 S142 D179 D183 H190	E141-T181 HydrophobicContact CG-CG2 4.01Å; S142-T181 WeakPolarHBondContact CA-OG1 3.44Å; S142-T181 PolarHBondContact N-OG1 3.15Å; D179-T181 VanDerWaalsContact C-N 3.32Å; D179-T181 PolarHBondContact OD1-N 3.09Å; D179-T181 PolarHBondContact OD1-OG1 3.19Å; T181-D183 PolarHBondContact O-N 2.97Å; T181-H190 PolarHBondContact O-CE1 3.11Å; T181-H190 PolarHBondContact O-ND1 3.02Å
182	P	83	Confident	81	Confident	83 Å²	83	66.7 Å²	66.7	54%	0.539	36%	0.362	S	S	.	.			trans	-62.9	136.6	175.9	28.3	-34.3	0	0	0	109.8	F180 E184	F180-P182 VanDerWaalsContact C-CD 3.47Å; P182-E184 PolarHBondContact O-N 2.97Å; P182-E184 VanDerWaalsContact O-N 3.1Å
183	D	73.1	Confident	81.1	Confident	81 Å²	81	68.3 Å²	68.3	43%	0.433	37%	0.37	S	S	.	.			trans	-67.8	107.5	171	-99.5	4.9	0	0	0	109	T181 N185 T186 H190	T181-D183 PolarHBondContact O-N 2.97Å; D183-N185 PolarHBondContact O-N 2.85Å; D183-T186 WeakPolarHBondContact CB-OG1 3.47Å; D183-T186 PolarHBondContact OD2-OG1 3.24Å; D183-H190 WeakPolarHBondContact CB-NE2 3.17Å; D183-H190 VanDerWaalsContact CG-CE1 3.49Å; D183-H190 PolarHBondContact N-CE1 2.85Å; D183-H190 VanDerWaalsContact N-CE1 3.26Å; D183-H190 IonicContact OD1-CE1 3.1Å; D183-H190 IonicContact OD1-NE2 2.93Å; D183-H190 PolarHBondContact OD1-NE2 3.38Å; D183-H190 IonicContact OD2-NE2 3.64Å; D183-H190 PolarHBondContact OD2-NE2 3.04Å
184	E	66.7	Low	81	Confident	177 Å²	177	68.3 Å²	68.3	83%	0.827	37%	0.37	S	S	*	.	S	Bend	trans	-70.3	-18.7	177.3	-64.1	-173.3	171.5	0	0	112.8	P182	P182-E184 PolarHBondContact O-N 2.97Å; P182-E184 VanDerWaalsContact O-N 3.1Å
185	N	61.1	Low	80.6	Confident	156 Å²	156	74.9 Å²	74.9	83%	0.834	40%	0.399	S	S	*	.	S	Bend	trans	-113.8	-3.4	-165	-65.9	-49.7	0	0	0	114.8	D183	D183-N185 PolarHBondContact O-N 2.85Å
186	T	53	Low	79.9	Confident	67 Å²	67	77.8 Å²	77.8	41%	0.411	42%	0.418	S	S	.	.			trans	-130.6	140.6	179.2	72.4	0	0	0	0	110	D183 A188	D183-T186 WeakPolarHBondContact CB-OG1 3.47Å; D183-T186 PolarHBondContact OD2-OG1 3.24Å; T186-A188 PolarHBondContact O-N 2.83Å; T186-A188 VanDerWaalsContact OG1-CB 3.22Å; T186-A188 WeakPolarHBondContact OG1-CB 3.41Å; T186-A188 PolarHBondContact OG1-N 3.35Å
187	D	53.9	Low	79.4	Confident	173 Å²	173	79.8 Å²	79.8	93%	0.925	43%	0.432	S	S	*	.			trans	-68.5	10.2	165.2	-65.1	-43.3	0	0	0	111.6	V189	D187-V189 PolarHBondContact O-N 2.92Å
188	A	54.6	Low	79.1	Confident	59 Å²	59	82 Å²	82	49%	0.488	45%	0.445	S	S	.	.			trans	-72.8	104.4	-178.1	0	0	0	0	0	108.7	T186 H190	T186-A188 PolarHBondContact O-N 2.83Å; T186-A188 VanDerWaalsContact OG1-CB 3.22Å; T186-A188 WeakPolarHBondContact OG1-CB 3.41Å; T186-A188 PolarHBondContact OG1-N 3.35Å; A188-H190 PolarHBondContact O-N 2.85Å
189	V	65.3	Low	78.9	Confident	111 Å²	111	78.9 Å²	78.9	67%	0.673	44%	0.438	S	S	*	.			trans	-64	105.4	174	175.9	0	0	0	0	108.5	D187 I191	D187-V189 PolarHBondContact O-N 2.92Å; V189-I191 VanDerWaalsContact CG1-C 3.46Å; V189-I191 WeakPolarHBondContact CG1-O 3.44Å; V189-I191 PolarHBondContact O-N 3.13Å
190	H	84.2	Confident	78.9	Confident	14 Å²	14	77.4 Å²	77.4	7%	0.065	43%	0.43	C	S	.	.	S	Bend	trans	-57.4	-30.1	173.9	-69.6	172	0	0	0	112.5	I140 N145 F146 D179 T181 D183 A188	I140-H190 HydrophobicContact CD1-CB 4.45Å; N145-H190 PolarHBondContact N-O 3.02Å; F146-H190 PolarHBondContact N-O 3.04Å; D179-H190 IonicContact OD2-CE1 2.76Å; D179-H190 IonicContact OD2-CG 3.42Å; D179-H190 IonicContact OD2-ND1 3.31Å; D179-H190 PolarHBondContact OD2-ND1 3.18Å; T181-H190 PolarHBondContact O-CE1 3.11Å; T181-H190 PolarHBondContact O-ND1 3.02Å; D183-H190 WeakPolarHBondContact CB-NE2 3.17Å; D183-H190 VanDerWaalsContact CG-CE1 3.49Å; D183-H190 PolarHBondContact N-CE1 2.85Å; D183-H190 VanDerWaalsContact N-CE1 3.26Å; D183-H190 IonicContact OD1-CE1 3.1Å; D183-H190 IonicContact OD1-NE2 2.93Å; D183-H190 PolarHBondContact OD1-NE2 3.38Å; D183-H190 IonicContact OD2-NE2 3.64Å; D183-H190 PolarHBondContact OD2-NE2 3.04Å; A188-H190 PolarHBondContact O-N 2.85Å
191	I	89.8	Confident	78.9	Confident	25 Å²	25	74.8 Å²	74.8	13%	0.128	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	113.3	-170.3	-52.6	170.1	0	0	0	110.4	I140 F146 F148 I177 D179 V189	I140-I191 HydrophobicContact CD1-CD1 3.47Å; I140-I191 VanDerWaalsContact CD1-CD1 3.47Å; I140-I191 HydrophobicContact CD1-CG1 3.38Å; I140-I191 HydrophobicContact CG1-CD1 3.93Å; I140-I191 HydrophobicContact CG1-CG1 4.36Å; F146-I191 CarbonylContact O-C 3.59Å; F146-I191 WeakPolarHBondContact O-CA 3.43Å; F148-I191 HydrophobicContact CD2-CG2 3.85Å; F148-I191 HydrophobicContact CE2-CG2 4.13Å; I177-I191 HydrophobicContact CB-CD1 3.87Å; I177-I191 HydrophobicContact CB-CG2 4.27Å; I177-I191 HydrophobicContact CD1-CG2 4.04Å; I177-I191 HydrophobicContact CG1-CG2 4.2Å; I177-I191 HydrophobicContact CG2-CD1 3.58Å; D179-I191 HydrophobicContact CB-CD1 4.01Å; V189-I191 VanDerWaalsContact CG1-C 3.46Å; V189-I191 WeakPolarHBondContact CG1-O 3.44Å; V189-I191 PolarHBondContact O-N 3.13Å
192	S	92	Very high	79.1	Confident	49 Å²	49	78.3 Å²	78.3	34%	0.343	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	161.8	167.1	73.8	0	0	0	0	111.5	F146 T147 F148	F146-S192 PolarHBondContact O-N 2.72Å; T147-S192 CarbonylContact C-O 3.51Å; T147-S192 VanDerWaalsContact CA-O 3.3Å; T147-S192 WeakPolarHBondContact CA-O 3.33Å; T147-S192 WeakPolarHBondContact CG2-OG 3.35Å; T147-S192 PolarHBondContact OG1-OG 2.83Å; F148-S192 PolarHBondContact N-O 2.88Å
193	L	92.8	Very high	79.6	Confident	35 Å²	35	77.8 Å²	77.8	18%	0.183	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138	172.8	-57.8	-179.1	0	0	0	108.5	F148 W174 I177 K254 L255	F148-L193 HydrophobicContact CB-CD2 3.96Å; F148-L193 CarbonylContact O-C 3.53Å; F148-L193 WeakPolarHBondContact O-CA 3.27Å; W174-L193 HydrophobicContact CZ3-CB 4.34Å; W174-L193 HydrophobicContact CZ3-CD2 4.06Å; I177-L193 HydrophobicContact CD1-CD2 3.8Å; L193-K254 HydrophobicContact CD1-CB 4.32Å; L193-K254 HydrophobicContact CD1-CD 4.48Å; L193-K254 HydrophobicContact CD1-CG 4.42Å; L193-L255 HydrophobicContact CB-CD1 4.4Å; L193-L255 HydrophobicContact CD1-CB 3.9Å
194	L	90.9	Very high	80.7	Confident	16 Å²	16	74 Å²	74	8%	0.084	41%	0.409	C	S	.	.			trans	-59.4	144.6	172	-78.4	-173.9	0	0	0	110.4	L129 F131 T147 F148 D198	L129-L194 HydrophobicContact CD1-CD1 3.93Å; L129-L194 HydrophobicContact CD1-CD2 4.19Å; L129-L194 HydrophobicContact CD1-CG 4.01Å; F131-L194 HydrophobicContact CD1-CD1 4.28Å; F131-L194 HydrophobicContact CE1-CD1 3.35Å; F131-L194 HydrophobicContact CZ-CD1 3.65Å; T147-L194 HydrophobicContact CG2-CD2 3.66Å; T147-L194 HydrophobicContact CG2-CG 3.82Å; F148-L194 PolarHBondContact O-N 3.06Å; L194-D198 HydrophobicContact CB-CB 4.31Å; L194-D198 HydrophobicContact CD1-CB 4.43Å; L194-D198 HydrophobicContact CD2-CB 4.02Å; L194-D198 HydrophobicContact CG-CB 4.5Å
195	K	86	Confident	82.1	Confident	138 Å²	138	67.7 Å²	67.7	60%	0.6	38%	0.38	S	S	*	.			trans	-72.9	157.8	173.7	-58.4	174.5	-176.9	172.4	0	108.9	T197 D198	K195-T197 PolarHBondContact O-N 3.31Å; K195-D198 VanDerWaalsContact CB-OD2 3.28Å; K195-D198 WeakPolarHBondContact CB-OD2 3.32Å; K195-D198 PolarHBondContact N-OD2 3.32Å; K195-D198 PolarHBondContact O-N 2.98Å
196	T	79.3	Confident	83.7	Confident	72 Å²	72	61.2 Å²	61.2	44%	0.442	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.9	176.5	53.7	0	0	0	0	114	Y249 I251 L255	T196-Y249 WeakPolarHBondContact CA-OH 3.41Å; T196-I251 HydrophobicContact CG2-CD1 3.66Å; T196-I251 HydrophobicContact CG2-CG1 3.75Å; T196-L255 HydrophobicContact CG2-CD2 4.25Å
197	T	80	Confident	85.6	Confident	112 Å²	112	58.1 Å²	58.1	69%	0.687	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-15.5	176.6	52.7	0	0	0	0	113.9	K195 S199	K195-T197 PolarHBondContact O-N 3.31Å; T197-S199 PolarHBondContact O-N 3.41Å
198	D	86.8	Confident	87.5	Confident	56 Å²	56	55.2 Å²	55.2	30%	0.299	31%	0.308	S	S	.	.			trans	-82.3	113.5	-174.4	-61.9	-35.6	0	0	0	109.4	L194 K195	L194-D198 HydrophobicContact CB-CB 4.31Å; L194-D198 HydrophobicContact CD1-CB 4.43Å; L194-D198 HydrophobicContact CD2-CB 4.02Å; L194-D198 HydrophobicContact CG-CB 4.5Å; K195-D198 VanDerWaalsContact CB-OD2 3.28Å; K195-D198 WeakPolarHBondContact CB-OD2 3.32Å; K195-D198 PolarHBondContact N-OD2 3.32Å; K195-D198 PolarHBondContact O-N 2.98Å
199	S	88.5	Confident	89.3	Confident	41 Å²	41	56.8 Å²	56.8	29%	0.287	30%	0.304	S	S	.	.			trans	-84.4	133.8	179.6	-175.9	0	0	0	0	111.3	T197 D201 N202 H203	T197-S199 PolarHBondContact O-N 3.41Å; S199-D201 PolarHBondContact O-N 2.81Å; S199-D201 PolarHBondContact OG-N 2.88Å; S199-N202 VanDerWaalsContact O-CB 3.28Å; S199-N202 WeakPolarHBondContact O-CB 3.22Å; S199-N202 PolarHBondContact O-N 3.01Å; S199-H203 PolarHBondContact O-CD2 3.17Å; S199-H203 VanDerWaalsContact O-CD2 3.32Å
200	I	93.6	Very high	90.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-52	-31.8	167.2	-177.9	167.7	0	0	0	113.4	F131 Q152 N202 H203 V204 F240	F131-I200 HydrophobicContact CB-CD1 4.01Å; F131-I200 HydrophobicContact CD1-CB 3.92Å; F131-I200 HydrophobicContact CD1-CD1 3.8Å; F131-I200 HydrophobicContact CD1-CG1 3.91Å; F131-I200 HydrophobicContact CD2-CD1 3.95Å; F131-I200 HydrophobicContact CD2-CG1 3.97Å; F131-I200 HydrophobicContact CE1-CB 3.53Å; F131-I200 HydrophobicContact CE1-CD1 4.24Å; F131-I200 HydrophobicContact CE1-CG1 3.81Å; F131-I200 HydrophobicContact CE2-CB 4.42Å; F131-I200 HydrophobicContact CE2-CD1 4.39Å; F131-I200 HydrophobicContact CE2-CG1 3.88Å; F131-I200 HydrophobicContact CG-CD1 3.64Å; F131-I200 HydrophobicContact CG-CG1 3.98Å; F131-I200 HydrophobicContact CZ-CB 3.83Å; F131-I200 HydrophobicContact CZ-CG1 3.81Å; Q152-I200 HydrophobicContact CB-CD1 4.25Å; Q152-I200 HydrophobicContact CB-CG2 3.99Å; I200-N202 PolarHBondContact O-N 3.39Å; I200-N202 VanDerWaalsContact O-N 3.1Å; I200-H203 PolarHBondContact O-N 2.98Å; I200-V204 HydrophobicContact CD1-CG2 4.26Å; I200-V204 HydrophobicContact CG1-CB 4.03Å; I200-V204 HydrophobicContact CG1-CG2 3.76Å; I200-V204 PolarHBondContact O-N 2.89Å; I200-F240 HydrophobicContact CB-CB 4.37Å; I200-F240 HydrophobicContact CD1-CB 4.24Å; I200-F240 HydrophobicContact CD1-CD1 3.75Å; I200-F240 HydrophobicContact CD1-CE1 4.4Å; I200-F240 HydrophobicContact CD1-CG 4.17Å; I200-F240 HydrophobicContact CG1-CB 4.21Å; I200-F240 HydrophobicContact CG1-CD1 4.25Å; I200-F240 HydrophobicContact CG1-CG 4.22Å; I200-F240 HydrophobicContact CG2-CB 3.35Å; I200-F240 HydrophobicContact CG2-CG 4.26Å; I200-F240 WeakPolarHBondContact CG2-O 2.86Å
201	D	92.4	Very high	91	Very high	59 Å²	59	52.8 Å²	52.8	32%	0.316	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-61.4	-19.3	176.4	-77.1	-75	0	0	0	113	S199 H203 K209	S199-D201 PolarHBondContact O-N 2.81Å; S199-D201 PolarHBondContact OG-N 2.88Å; D201-H203 VanDerWaalsContact C-N 3.28Å; D201-K209 IonicContact OD1-NZ 2.7Å
202	N	93.2	Very high	91	Very high	120 Å²	120	55.9 Å²	55.9	64%	0.642	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-79.7	-12	174.8	-60.4	-26.5	0	0	0	112.8	S199 I200	S199-N202 VanDerWaalsContact O-CB 3.28Å; S199-N202 WeakPolarHBondContact O-CB 3.22Å; S199-N202 PolarHBondContact O-N 3.01Å; I200-N202 PolarHBondContact O-N 3.39Å; I200-N202 VanDerWaalsContact O-N 3.1Å
203	H	94.7	Very high	90.9	Very high	73 Å²	73	56.6 Å²	56.6	34%	0.338	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-26.3	-169	-60.8	-70.2	0	0	0	113.6	T112 L129 F131 S199 I200 D201	T112-H203 HydrophobicContact CG2-CB 4.47Å; L129-H203 HydrophobicContact CD2-CB 3.57Å; L129-H203 WeakPolarHBondContact CD2-ND1 3.39Å; F131-H203 HydrophobicContact CE2-CB 3.85Å; F131-H203 HydrophobicContact CZ-CB 3.9Å; F131-H203 AromaticContact CZ-CD2 3.85Å; S199-H203 PolarHBondContact O-CD2 3.17Å; S199-H203 VanDerWaalsContact O-CD2 3.32Å; I200-H203 PolarHBondContact O-N 2.98Å; D201-H203 VanDerWaalsContact C-N 3.28Å
204	V	96.3	Very high	90.7	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	28%	0.282	C	S	.	.			trans	-125.8	125.1	-177.7	-171.8	0	0	0	0	109	T93 V95 T112 F131 I200 F240	T93-V204 HydrophobicContact CG2-CG1 3.91Å; V95-V204 HydrophobicContact CG2-CG1 3.44Å; V95-V204 VanDerWaalsContact CG2-CG1 3.44Å; T112-V204 HydrophobicContact CG2-CG2 3.66Å; F131-V204 HydrophobicContact CD2-CG2 3.94Å; F131-V204 HydrophobicContact CE2-CG2 3.8Å; I200-V204 HydrophobicContact CD1-CG2 4.26Å; I200-V204 HydrophobicContact CG1-CB 4.03Å; I200-V204 HydrophobicContact CG1-CG2 3.76Å; I200-V204 PolarHBondContact O-N 2.89Å; V204-F240 HydrophobicContact CB-CE1 4.43Å; V204-F240 HydrophobicContact CB-CE2 4.12Å; V204-F240 HydrophobicContact CB-CZ 4.02Å; V204-F240 HydrophobicContact CG1-CE1 3.85Å; V204-F240 HydrophobicContact CG1-CE2 3.84Å; V204-F240 HydrophobicContact CG1-CZ 3.32Å; V204-F240 WeakPolarHBondContact O-CE2 3.32Å
205	L	94.8	Very high	90.5	Very high	43 Å²	43	59.3 Å²	59.3	23%	0.225	31%	0.305	C	S	.	.			trans	-86.5	149.7	174.4	-59.3	-176.6	0	0	0	110.1	Y74 Y76 K209 A210 H213	Y74-L205 HydrophobicContact CE1-CB 4.33Å; Y74-L205 HydrophobicContact CE1-CD1 3.93Å; Y74-L205 HydrophobicContact CE1-CG 4.32Å; Y76-L205 WeakPolarHBondContact CE1-O 3.24Å; Y76-L205 PolarHBondContact OH-O 3.37Å; L205-K209 HydrophobicContact CB-CB 4.05Å; L205-K209 HydrophobicContact CD2-CB 4.22Å; L205-A210 HydrophobicContact CB-CB 4.08Å; L205-A210 HydrophobicContact CD1-CB 4.41Å; L205-H213 HydrophobicContact CD1-CB 3.92Å
206	T	95.1	Very high	90.5	Very high	21 Å²	21	60.2 Å²	60.2	13%	0.129	31%	0.312	C	S	.	.			trans	-72.9	161	163.7	61.1	0	0	0	0	108.9	Y76 Q208 K209 A210 L238 F240	Y76-T206 PolarHBondContact OH-O 3.03Å; T206-Q208 PolarHBondContact O-N 3.1Å; T206-K209 PolarHBondContact O-N 3.04Å; T206-K209 VanDerWaalsContact O-N 3.08Å; T206-K209 WeakPolarHBondContact OG1-CG 3.48Å; T206-K209 PolarHBondContact OG1-N 3.33Å; T206-A210 WeakPolarHBondContact O-CB 3.3Å; T206-A210 PolarHBondContact O-N 3.26Å; T206-L238 VanDerWaalsContact CG2-O 3.3Å; T206-L238 WeakPolarHBondContact CG2-O 3.43Å; T206-F240 HydrophobicContact CG2-CD2 4.25Å; T206-F240 HydrophobicContact CG2-CE2 3.79Å
207	P	94.2	Very high	90.7	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.013	31%	0.311	C	S	.	.	H	α-helix	trans	-52.7	-41.8	178.7	-25.7	31.4	0	0	0	112.7	Y76 A210 L211 L233 M234 L238	Y76-P207 HydrophobicContact CD1-CG 3.88Å; Y76-P207 HydrophobicContact CD2-CB 4.41Å; Y76-P207 HydrophobicContact CD2-CG 4.12Å; Y76-P207 HydrophobicContact CE1-CG 3.92Å; Y76-P207 HydrophobicContact CE2-CB 4.18Å; Y76-P207 HydrophobicContact CE2-CG 4.11Å; Y76-P207 HydrophobicContact CG-CG 4Å; P207-A210 PolarHBondContact O-N 3.44Å; P207-L211 PolarHBondContact O-N 3.04Å; P207-L233 HydrophobicContact CB-CD2 4.44Å; P207-L233 HydrophobicContact CB-CG 3.97Å; P207-L233 HydrophobicContact CG-CD1 4.21Å; P207-L233 HydrophobicContact CG-CG 4.08Å; P207-M234 HydrophobicContact CB-CE 3.22Å; P207-M234 HydrophobicContact CB-SD 3.91Å; P207-L238 HydrophobicContact CG-CD2 4.41Å
208	Q	92.4	Very high	90.2	Very high	112 Å²	112	60.7 Å²	60.7	52%	0.523	32%	0.316	S	S	.	.	H	α-helix	trans	-62.3	-49.1	176.2	-175.9	-179	-15.4	0	0	112.8	T206 A210 L211 E212	T206-Q208 PolarHBondContact O-N 3.1Å; Q208-A210 VanDerWaalsContact C-N 3.28Å; Q208-A210 PolarHBondContact O-N 3.15Å; Q208-L211 WeakPolarHBondContact O-CB 3.3Å; Q208-L211 PolarHBondContact O-N 3.03Å; Q208-L211 VanDerWaalsContact O-N 3.13Å; Q208-E212 PolarHBondContact NE2-OE1 3.19Å; Q208-E212 WeakPolarHBondContact O-CG 3.32Å; Q208-E212 PolarHBondContact O-N 3.32Å
209	K	93.4	Very high	89.2	Confident	92 Å²	92	62.4 Å²	62.4	40%	0.4	32%	0.321	S	S	.	.	H	α-helix	trans	-64.6	-34.4	178.2	-72.3	178.6	178.6	177.8	0	111.9	D201 L205 T206 L211 E212 H213	D201-K209 IonicContact OD1-NZ 2.7Å; L205-K209 HydrophobicContact CB-CB 4.05Å; L205-K209 HydrophobicContact CD2-CB 4.22Å; T206-K209 PolarHBondContact O-N 3.04Å; T206-K209 VanDerWaalsContact O-N 3.08Å; T206-K209 WeakPolarHBondContact OG1-CG 3.48Å; T206-K209 PolarHBondContact OG1-N 3.33Å; K209-L211 VanDerWaalsContact C-N 3.31Å; K209-E212 PolarHBondContact O-N 2.87Å; K209-H213 WeakPolarHBondContact O-CB 3.42Å; K209-H213 PolarHBondContact O-N 3.26Å
210	A	93.1	Very high	87.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.7	-38	174.4	0	0	0	0	0	111.4	I52 Y74 Y76 L205 T206 P207 Q208 H213 E214	I52-A210 HydrophobicContact CD1-CB 3.88Å; I52-A210 HydrophobicContact CG1-CB 4.08Å; Y74-A210 HydrophobicContact CD1-CB 3.75Å; Y74-A210 HydrophobicContact CD2-CB 3.9Å; Y74-A210 HydrophobicContact CE1-CB 4.01Å; Y74-A210 HydrophobicContact CE2-CB 4.14Å; Y74-A210 HydrophobicContact CG-CB 3.7Å; Y76-A210 WeakPolarHBondContact OH-CB 3.38Å; L205-A210 HydrophobicContact CB-CB 4.08Å; L205-A210 HydrophobicContact CD1-CB 4.41Å; T206-A210 WeakPolarHBondContact O-CB 3.3Å; T206-A210 PolarHBondContact O-N 3.26Å; P207-A210 PolarHBondContact O-N 3.44Å; Q208-A210 VanDerWaalsContact C-N 3.28Å; Q208-A210 PolarHBondContact O-N 3.15Å; A210-H213 PolarHBondContact O-N 3.01Å; A210-E214 WeakPolarHBondContact O-CG 3.48Å; A210-E214 PolarHBondContact O-N 3.04Å
211	L	90.7	Very high	86	Confident	41 Å²	41	71.9 Å²	71.9	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-66.2	-45.2	176.7	-179.8	63.4	0	0	0	111.2	I52 P207 Q208 K209 H213 E214 L215 L220 M234	I52-L211 HydrophobicContact CD1-CB 3.7Å; I52-L211 HydrophobicContact CD1-CD1 4.22Å; I52-L211 VanDerWaalsContact CD1-N 3.26Å; P207-L211 PolarHBondContact O-N 3.04Å; Q208-L211 WeakPolarHBondContact O-CB 3.3Å; Q208-L211 PolarHBondContact O-N 3.03Å; Q208-L211 VanDerWaalsContact O-N 3.13Å; K209-L211 VanDerWaalsContact C-N 3.31Å; L211-H213 VanDerWaalsContact C-N 3.31Å; L211-H213 PolarHBondContact O-N 3.3Å; L211-E214 PolarHBondContact O-N 2.97Å; L211-L215 HydrophobicContact CD1-CD1 4.28Å; L211-L215 HydrophobicContact CD1-CG 4.37Å; L211-L215 HydrophobicContact CG-CD1 4Å; L211-L215 WeakPolarHBondContact O-CB 3.14Å; L211-L215 VanDerWaalsContact O-CG 3.26Å; L211-L215 WeakPolarHBondContact O-CG 3.15Å; L211-L215 PolarHBondContact O-N 3.42Å; L211-L220 HydrophobicContact CD1-CD1 4.18Å; L211-M234 HydrophobicContact CB-SD 3.94Å; L211-M234 HydrophobicContact CD2-CG 4.16Å; L211-M234 HydrophobicContact CD2-SD 3.98Å
212	E	91.2	Very high	84	Confident	89 Å²	89	74.5 Å²	74.5	42%	0.416	38%	0.376	S	S	.	.	H	α-helix	trans	-56.3	-47	173.9	-68.5	163.4	-174.3	0	0	110.7	Q208 K209 E214 L215 E216	Q208-E212 PolarHBondContact NE2-OE1 3.19Å; Q208-E212 WeakPolarHBondContact O-CG 3.32Å; Q208-E212 PolarHBondContact O-N 3.32Å; K209-E212 PolarHBondContact O-N 2.87Å; E212-E214 PolarHBondContact O-N 3.41Å; E212-L215 PolarHBondContact O-N 2.86Å; E212-E216 WeakPolarHBondContact O-CG 3.4Å; E212-E216 PolarHBondContact O-N 3.43Å
213	H	90.4	Very high	82.1	Confident	64 Å²	64	70.6 Å²	70.6	30%	0.296	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-41.6	176.6	176.4	-84.7	0	0	0	113.7	Y74 L205 K209 A210 L211 N217	Y74-H213 PolarHBondContact OH-CE1 2.87Å; Y74-H213 PolarHBondContact OH-ND1 3.41Å; Y74-H213 VanDerWaalsContact OH-ND1 3.12Å; L205-H213 HydrophobicContact CD1-CB 3.92Å; K209-H213 WeakPolarHBondContact O-CB 3.42Å; K209-H213 PolarHBondContact O-N 3.26Å; A210-H213 PolarHBondContact O-N 3.01Å; L211-H213 VanDerWaalsContact C-N 3.31Å; L211-H213 PolarHBondContact O-N 3.3Å; H213-N217 PolarHBondContact CE1-ND2 2.86Å; H213-N217 PolarHBondContact ND1-ND2 3.41Å; H213-N217 PolarHBondContact NE2-ND2 3.1Å; H213-N217 VanDerWaalsContact NE2-ND2 3.16Å; H213-N217 PolarHBondContact O-N 3.39Å; H213-N217 PolarHBondContact O-ND2 2.88Å
214	E	86.7	Confident	80	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-68.9	-35.8	178	-75.1	-68.3	110.7	0	0	112.2	G51 Y74 A210 L211 E212 S218 K219 L220	G51-E214 PolarHBondContact N-OE2 3.2Å; Y74-E214 HydrophobicContact CD2-CG 4.25Å; Y74-E214 HydrophobicContact CE2-CG 3.99Å; A210-E214 WeakPolarHBondContact O-CG 3.48Å; A210-E214 PolarHBondContact O-N 3.04Å; L211-E214 PolarHBondContact O-N 2.97Å; E212-E214 PolarHBondContact O-N 3.41Å; E214-S218 PolarHBondContact O-N 3.3Å; E214-K219 PolarHBondContact O-N 3.29Å; E214-L220 HydrophobicContact CB-CD1 4.25Å; E214-L220 HydrophobicContact CB-CD2 3.88Å; E214-L220 HydrophobicContact CB-CG 3.91Å; E214-L220 HydrophobicContact CG-CD2 4.37Å
215	L	87.4	Confident	78	Confident	108 Å²	108	80.9 Å²	80.9	57%	0.565	42%	0.422	S	S	*	.	H	α-helix	trans	-67.2	-44.9	175.7	-73.3	167.4	0	0	0	111.9	L211 E212 N217 S218 L220	L211-L215 HydrophobicContact CD1-CD1 4.28Å; L211-L215 HydrophobicContact CD1-CG 4.37Å; L211-L215 HydrophobicContact CG-CD1 4Å; L211-L215 WeakPolarHBondContact O-CB 3.14Å; L211-L215 VanDerWaalsContact O-CG 3.26Å; L211-L215 WeakPolarHBondContact O-CG 3.15Å; L211-L215 PolarHBondContact O-N 3.42Å; E212-L215 PolarHBondContact O-N 2.86Å; L215-N217 VanDerWaalsContact C-N 3.3Å; L215-N217 PolarHBondContact O-N 2.94Å; L215-S218 PolarHBondContact O-N 3.08Å; L215-L220 HydrophobicContact CD2-CD1 3.67Å; L215-L220 HydrophobicContact CG-CD1 3.99Å
216	E	86.5	Confident	76.1	Confident	158 Å²	158	80.4 Å²	80.4	74%	0.738	42%	0.422	S	S	*	.	H	α-helix	trans	-62.2	-37.3	177.9	-74.9	178.2	177.9	0	0	112.4	E212 S218	E212-E216 WeakPolarHBondContact O-CG 3.4Å; E212-E216 PolarHBondContact O-N 3.43Å; E216-S218 VanDerWaalsContact C-N 3.3Å; E216-S218 PolarHBondContact O-N 2.9Å
217	N	82.5	Confident	74.3	Confident	79 Å²	79	83.7 Å²	83.7	42%	0.422	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	2.3	-179.2	-71.2	-58.5	0	0	0	114.2	H213 L215 K219	H213-N217 PolarHBondContact CE1-ND2 2.86Å; H213-N217 PolarHBondContact ND1-ND2 3.41Å; H213-N217 PolarHBondContact NE2-ND2 3.1Å; H213-N217 VanDerWaalsContact NE2-ND2 3.16Å; H213-N217 PolarHBondContact O-N 3.39Å; H213-N217 PolarHBondContact O-ND2 2.88Å; L215-N217 VanDerWaalsContact C-N 3.3Å; L215-N217 PolarHBondContact O-N 2.94Å; N217-K219 HydrophobicContact CB-CD 4.19Å; N217-K219 HydrophobicContact CB-CG 4.02Å; N217-K219 PolarHBondContact O-N 3.47Å; N217-K219 VanDerWaalsContact O-N 3.17Å
218	S	70.8	Confident	72.7	Confident	115 Å²	115	87.1 Å²	87.1	80%	0.804	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	32.1	-178.8	-55.9	0	0	0	0	114.1	E214 L215 E216	E214-S218 PolarHBondContact O-N 3.3Å; L215-S218 PolarHBondContact O-N 3.08Å; E216-S218 VanDerWaalsContact C-N 3.3Å; E216-S218 PolarHBondContact O-N 2.9Å
219	K	64.7	Low	71.5	Confident	92 Å²	92	86.3 Å²	86.3	40%	0.4	46%	0.46	S	S	.	.			trans	-95	-5.7	-173.9	-72.8	-174.4	179.5	177.9	0	115	N72 E214 N217 E221	N72-K219 PolarHBondContact OD1-NZ 2.96Å; E214-K219 PolarHBondContact O-N 3.29Å; N217-K219 HydrophobicContact CB-CD 4.19Å; N217-K219 HydrophobicContact CB-CG 4.02Å; N217-K219 PolarHBondContact O-N 3.47Å; N217-K219 VanDerWaalsContact O-N 3.17Å; K219-E221 PolarHBondContact O-N 2.75Å; K219-E221 VanDerWaalsContact O-N 3.1Å
220	L	58.5	Low	70.8	Confident	46 Å²	46	82.5 Å²	82.5	24%	0.241	44%	0.444	C	S	.	.			trans	-76.4	99.8	-178.2	-68.3	172.5	0	0	0	111.6	L211 E214 L215 N222	L211-L220 HydrophobicContact CD1-CD1 4.18Å; E214-L220 HydrophobicContact CB-CD1 4.25Å; E214-L220 HydrophobicContact CB-CD2 3.88Å; E214-L220 HydrophobicContact CB-CG 3.91Å; E214-L220 HydrophobicContact CG-CD2 4.37Å; L215-L220 HydrophobicContact CD2-CD1 3.67Å; L215-L220 HydrophobicContact CG-CD1 3.99Å; L220-N222 PolarHBondContact O-N 3Å
221	E	56.5	Low	70.2	Confident	194 Å²	194	89.2 Å²	89.2	91%	0.907	48%	0.475	S	S	*	.			trans	-80.6	94.5	156.8	-70.2	-171.7	175	0	0	108.3	K219 G223	K219-E221 PolarHBondContact O-N 2.75Å; K219-E221 VanDerWaalsContact O-N 3.1Å; E221-G223 PolarHBondContact O-N 2.7Å
222	N	51.5	Low	70.1	Confident	113 Å²	113	89.6 Å²	89.6	60%	0.604	48%	0.48	S	S	*	.			trans	-71	111.2	-176.4	-72.2	-27.1	0	0	0	111.6	L220	L220-N222 PolarHBondContact O-N 3Å
223	G	53.5	Low	70	Confident	39 Å²	39	85.6 Å²	85.6	40%	0.402	46%	0.461	S	S	.	.			trans	-86.2	136.3	152.3	0	0	0	0	0	110.2	E221 D225 S226	E221-G223 PolarHBondContact O-N 2.7Å; G223-D225 VanDerWaalsContact C-N 3.28Å; G223-D225 PolarHBondContact O-N 3.07Å; G223-S226 WeakPolarHBondContact O-CB 3.23Å; G223-S226 PolarHBondContact O-N 3.13Å; G223-S226 PolarHBondContact O-OG 2.88Å
224	D	50.2	Low	69.9	Low	152 Å²	152	84.3 Å²	84.3	81%	0.813	46%	0.456	S	S	*	.	H	α-helix	trans	-53.8	-38.5	-171.6	-149.8	18.9	0	0	0	113.5	S226 M227	D224-S226 PolarHBondContact O-N 3.43Å; D224-M227 PolarHBondContact O-N 3Å
225	D	53.3	Low	70.1	Confident	138 Å²	138	88.6 Å²	88.6	74%	0.738	49%	0.486	S	S	*	.	H	α-helix	trans	-68.6	-17.1	179.4	-71.2	-22.8	0	0	0	114.3	G223 S228	G223-D225 VanDerWaalsContact C-N 3.28Å; G223-D225 PolarHBondContact O-N 3.07Å; D225-S228 PolarHBondContact O-OG 3.35Å
226	S	55.4	Low	70.3	Confident	34 Å²	34	85 Å²	85	24%	0.238	47%	0.467	C	S	.	.	H	α-helix	trans	-73.8	-36.3	-178.2	-53.6	0	0	0	0	111.2	G223 D224 S228 L229 L230	G223-S226 WeakPolarHBondContact O-CB 3.23Å; G223-S226 PolarHBondContact O-N 3.13Å; G223-S226 PolarHBondContact O-OG 2.88Å; D224-S226 PolarHBondContact O-N 3.43Å; S226-S228 PolarHBondContact O-N 3.31Å; S226-L229 PolarHBondContact O-N 3.06Å; S226-L230 WeakPolarHBondContact O-CB 3.43Å; S226-L230 WeakPolarHBondContact O-CD1 3.45Å; S226-L230 WeakPolarHBondContact O-CG 3.18Å; S226-L230 PolarHBondContact O-N 3Å; S226-L230 VanDerWaalsContact O-N 3.12Å
227	M	57.7	Low	70.6	Confident	90 Å²	90	81.6 Å²	81.6	44%	0.443	46%	0.459	S	S	.	.	H	α-helix	trans	-69.5	-32.3	-173.5	-77.4	-59.1	-57.4	0	0	114.1	D224 L230 Q231	D224-M227 PolarHBondContact O-N 3Å; M227-L230 PolarHBondContact O-N 3.01Å; M227-L230 HydrophobicContact SD-CD1 3.78Å; M227-Q231 PolarHBondContact O-N 3.22Å
228	S	61.5	Low	71.2	Confident	74 Å²	74	78.5 Å²	78.5	52%	0.517	44%	0.442	S	S	.	.	H	α-helix	trans	-68.7	-38.5	179.9	61.5	0	0	0	0	112.3	D225 S226 P232	D225-S228 PolarHBondContact O-OG 3.35Å; S226-S228 PolarHBondContact O-N 3.31Å; S228-P232 WeakPolarHBondContact O-CD 3.39Å
229	L	66.7	Low	72.3	Confident	94 Å²	94	74.5 Å²	74.5	49%	0.492	41%	0.414	S	S	.	.	H	α-helix	trans	-77.2	-25.9	175.4	-65.1	177	0	0	0	112.8	S226 P232	S226-L229 PolarHBondContact O-N 3.06Å; L229-P232 WeakPolarHBondContact O-CD 3.19Å
230	L	78	Confident	73.7	Confident	13 Å²	13	70.2 Å²	70.2	7%	0.068	40%	0.395	C	S	.	.	H	α-helix	trans	-66.9	-42.2	179	-77.6	170.3	0	0	0	112.5	I52 S226 M227 L233 M234	I52-L230 HydrophobicContact CB-CD2 3.56Å; I52-L230 HydrophobicContact CG2-CD2 3.67Å; I52-L230 WeakPolarHBondContact O-CD2 3.4Å; S226-L230 WeakPolarHBondContact O-CB 3.43Å; S226-L230 WeakPolarHBondContact O-CD1 3.45Å; S226-L230 WeakPolarHBondContact O-CG 3.18Å; S226-L230 PolarHBondContact O-N 3Å; S226-L230 VanDerWaalsContact O-N 3.12Å; M227-L230 PolarHBondContact O-N 3.01Å; M227-L230 HydrophobicContact SD-CD1 3.78Å; L230-L233 PolarHBondContact O-N 3.21Å; L230-L233 VanDerWaalsContact O-N 3.16Å; L230-M234 HydrophobicContact CD2-CE 4.07Å; L230-M234 VanDerWaalsContact O-CG 3.26Å; L230-M234 WeakPolarHBondContact O-CG 3.21Å; L230-M234 PolarHBondContact O-N 2.82Å
231	Q	81.5	Confident	75.2	Confident	141 Å²	141	69.6 Å²	69.6	66%	0.659	40%	0.395	S	S	*	.	H	α-helix	trans	-58.4	-49.8	-175.9	-79.2	-170.1	-22.9	0	0	113.7	M227 L233 M234 S235	M227-Q231 PolarHBondContact O-N 3.22Å; Q231-L233 VanDerWaalsContact C-N 3.31Å; Q231-L233 PolarHBondContact O-N 3.45Å; Q231-M234 PolarHBondContact O-N 3.41Å; Q231-S235 PolarHBondContact O-N 3.48Å
232	P	87.4	Confident	76.5	Confident	49 Å²	49	62.8 Å²	62.8	32%	0.318	37%	0.367	S	S	.	.	H	α-helix	trans	-57.2	-44.3	173.9	-25.2	33.4	0	0	0	112.4	I56 S228 L229 M234 S235	I56-P232 HydrophobicContact CD1-CB 3.92Å; I56-P232 HydrophobicContact CG2-CB 4.4Å; S228-P232 WeakPolarHBondContact O-CD 3.39Å; L229-P232 WeakPolarHBondContact O-CD 3.19Å; P232-M234 PolarHBondContact O-N 2.89Å; P232-S235 PolarHBondContact O-N 2.87Å; P232-S235 VanDerWaalsContact O-N 3.15Å; P232-S235 PolarHBondContact O-OG 3.33Å
233	L	90	Very high	78.2	Confident	4 Å²	4	62 Å²	62	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-63.8	-39.3	-179.7	-175.8	63.7	0	0	0	112.5	I52 I56 Y76 L78 P207 L230 Q231 S235 I236	I52-L233 HydrophobicContact CG2-CD2 3.8Å; I56-L233 HydrophobicContact CG2-CB 4.49Å; I56-L233 HydrophobicContact CG2-CD1 4.34Å; Y76-L233 HydrophobicContact CD2-CD2 3.94Å; Y76-L233 HydrophobicContact CG-CD1 4.45Å; Y76-L233 HydrophobicContact CG-CD2 4.42Å; L78-L233 HydrophobicContact CD1-CD1 3.85Å; L78-L233 HydrophobicContact CG-CD1 4.37Å; P207-L233 HydrophobicContact CB-CD2 4.44Å; P207-L233 HydrophobicContact CB-CG 3.97Å; P207-L233 HydrophobicContact CG-CD1 4.21Å; P207-L233 HydrophobicContact CG-CG 4.08Å; L230-L233 PolarHBondContact O-N 3.21Å; L230-L233 VanDerWaalsContact O-N 3.16Å; Q231-L233 VanDerWaalsContact C-N 3.31Å; Q231-L233 PolarHBondContact O-N 3.45Å; L233-S235 PolarHBondContact O-N 3.38Å; L233-I236 HydrophobicContact CD1-CD1 4.42Å; L233-I236 PolarHBondContact O-N 3.04Å
234	M	88.8	Confident	79.9	Confident	37 Å²	37	64.3 Å²	64.3	18%	0.182	37%	0.366	C	S	.	.	H	α-helix	trans	-66	-26.5	176.7	-67.2	-47.8	99.9	0	0	112.7	I52 P207 L211 L230 Q231 P232 I236	I52-M234 HydrophobicContact CG2-CE 4.04Å; P207-M234 HydrophobicContact CB-CE 3.22Å; P207-M234 HydrophobicContact CB-SD 3.91Å; L211-M234 HydrophobicContact CB-SD 3.94Å; L211-M234 HydrophobicContact CD2-CG 4.16Å; L211-M234 HydrophobicContact CD2-SD 3.98Å; L230-M234 HydrophobicContact CD2-CE 4.07Å; L230-M234 VanDerWaalsContact O-CG 3.26Å; L230-M234 WeakPolarHBondContact O-CG 3.21Å; L230-M234 PolarHBondContact O-N 2.82Å; Q231-M234 PolarHBondContact O-N 3.41Å; P232-M234 PolarHBondContact O-N 2.89Å; M234-I236 VanDerWaalsContact C-N 3.3Å
235	S	89.2	Confident	81.8	Confident	91 Å²	91	58 Å²	58	64%	0.636	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-11.8	-178.3	75.9	0	0	0	0	114	Q231 P232 L233 P237	Q231-S235 PolarHBondContact O-N 3.48Å; P232-S235 PolarHBondContact O-N 2.87Å; P232-S235 VanDerWaalsContact O-N 3.15Å; P232-S235 PolarHBondContact O-OG 3.33Å; L233-S235 PolarHBondContact O-N 3.38Å; S235-P237 WeakPolarHBondContact O-CD 3.39Å
236	I	91.9	Very high	83.6	Confident	33 Å²	33	52.8 Å²	52.8	17%	0.169	31%	0.306	C	S	.	.	S	Bend	trans	-77.4	125.4	-177.3	-65.5	172	0	0	0	109.6	I56 L78 L233 M234 L238	I56-I236 HydrophobicContact CB-CD1 3.82Å; I56-I236 HydrophobicContact CG2-CD1 3.4Å; L78-I236 HydrophobicContact CD1-CB 4.24Å; L78-I236 HydrophobicContact CD1-CD1 3.82Å; L78-I236 HydrophobicContact CD1-CG2 3.82Å; L233-I236 HydrophobicContact CD1-CD1 4.42Å; L233-I236 PolarHBondContact O-N 3.04Å; M234-I236 VanDerWaalsContact C-N 3.3Å; I236-L238 PolarHBondContact O-N 3.3Å
237	P	93.2	Very high	85.5	Confident	86 Å²	86	51.2 Å²	51.2	56%	0.558	30%	0.296	S	S	*	.			trans	-76.4	68.9	176.2	31.9	-33.7	0	0	0	110.5	P156 S235 S239	P156-P237 HydrophobicContact CG-CG 3.51Å; S235-P237 WeakPolarHBondContact O-CD 3.39Å; P237-S239 PolarHBondContact O-N 3.37Å
238	L	95.1	Very high	87.3	Confident	13 Å²	13	47.7 Å²	47.7	7%	0.068	28%	0.279	C	S	.	.			trans	-70.7	125.1	169.6	-177.8	66.5	0	0	0	108.9	Y76 L78 V95 C153 S154 Y155 T206 P207 I236 F240	Y76-L238 HydrophobicContact CD1-CD2 3.99Å; Y76-L238 HydrophobicContact CE1-CD2 4.05Å; L78-L238 HydrophobicContact CD2-CD1 4.35Å; V95-L238 HydrophobicContact CG1-CD2 4.43Å; C153-L238 HydrophobicContact CB-CD1 4.38Å; S154-L238 CarbonylContact O-C 3.56Å; S154-L238 WeakPolarHBondContact O-CA 3.46Å; Y155-L238 HydrophobicContact CD1-CD1 3.98Å; Y155-L238 HydrophobicContact CG-CD1 4.44Å; T206-L238 VanDerWaalsContact CG2-O 3.3Å; T206-L238 WeakPolarHBondContact CG2-O 3.43Å; P207-L238 HydrophobicContact CG-CD2 4.41Å; I236-L238 PolarHBondContact O-N 3.3Å; L238-F240 HydrophobicContact CD1-CE1 4.28Å; L238-F240 HydrophobicContact CD2-CE1 3.95Å; L238-F240 HydrophobicContact CD2-CE2 4.37Å; L238-F240 HydrophobicContact CD2-CZ 3.54Å; L238-F240 HydrophobicContact CG-CE1 4.1Å; L238-F240 HydrophobicContact CG-CZ 3.97Å
239	S	94.9	Very high	88.7	Confident	31 Å²	31	46.9 Å²	46.9	22%	0.217	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-127.7	147.5	176.5	-175	0	0	0	0	109.4	C153 S154 P237 S241 N244	C153-S239 CarbonylContact C-O 3.54Å; S154-S239 PolarHBondContact N-O 2.99Å; S154-S239 PolarHBondContact O-N 2.8Å; P237-S239 PolarHBondContact O-N 3.37Å; S239-S241 PolarHBondContact OG-N 2.86Å; S239-N244 PolarHBondContact OG-ND2 2.85Å; S239-N244 VanDerWaalsContact OG-ND2 3.1Å
240	F	93.4	Very high	90	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.009	24%	0.242	C	C	.	.			trans	-112.8	11	170.7	-48.9	-70.2	0	0	0	112.4	V95 C153 I200 V204 T206 L238 T242	V95-F240 HydrophobicContact CG1-CE1 4.44Å; C153-F240 HydrophobicContact CB-CD1 4.36Å; C153-F240 HydrophobicContact CB-CE1 4.43Å; I200-F240 HydrophobicContact CB-CB 4.37Å; I200-F240 HydrophobicContact CD1-CB 4.24Å; I200-F240 HydrophobicContact CD1-CD1 3.75Å; I200-F240 HydrophobicContact CD1-CE1 4.4Å; I200-F240 HydrophobicContact CD1-CG 4.17Å; I200-F240 HydrophobicContact CG1-CB 4.21Å; I200-F240 HydrophobicContact CG1-CD1 4.25Å; I200-F240 HydrophobicContact CG1-CG 4.22Å; I200-F240 HydrophobicContact CG2-CB 3.35Å; I200-F240 HydrophobicContact CG2-CG 4.26Å; I200-F240 WeakPolarHBondContact CG2-O 2.86Å; V204-F240 HydrophobicContact CB-CE1 4.43Å; V204-F240 HydrophobicContact CB-CE2 4.12Å; V204-F240 HydrophobicContact CB-CZ 4.02Å; V204-F240 HydrophobicContact CG1-CE1 3.85Å; V204-F240 HydrophobicContact CG1-CE2 3.84Å; V204-F240 HydrophobicContact CG1-CZ 3.32Å; V204-F240 WeakPolarHBondContact O-CE2 3.32Å; T206-F240 HydrophobicContact CG2-CD2 4.25Å; T206-F240 HydrophobicContact CG2-CE2 3.79Å; L238-F240 HydrophobicContact CD1-CE1 4.28Å; L238-F240 HydrophobicContact CD2-CE1 3.95Å; L238-F240 HydrophobicContact CD2-CE2 4.37Å; L238-F240 HydrophobicContact CD2-CZ 3.54Å; L238-F240 HydrophobicContact CG-CE1 4.1Å; L238-F240 HydrophobicContact CG-CZ 3.97Å; F240-T242 PolarHBondContact O-N 2.82Å
241	S	89.7	Confident	90.6	Very high	34 Å²	34	42.1 Å²	42.1	24%	0.238	24%	0.24	C	C	.	.			trans	-66.1	132.2	176.4	175.3	0	0	0	0	110.5	S239 D243 N244 S245	S239-S241 PolarHBondContact OG-N 2.86Å; S241-D243 PolarHBondContact O-N 3.22Å; S241-D243 VanDerWaalsContact O-N 3.08Å; S241-D243 WeakPolarHBondContact OG-CB 3.43Å; S241-D243 PolarHBondContact OG-N 2.83Å; S241-D243 VanDerWaalsContact OG-N 3.11Å; S241-N244 PolarHBondContact O-N 3.41Å; S241-S245 PolarHBondContact O-N 3.36Å
242	T	83.7	Confident	91.1	Very high	50 Å²	50	35.4 Å²	35.4	31%	0.307	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.5	170.5	49.9	0	0	0	0	113.4	F240 N244 Y249	F240-T242 PolarHBondContact O-N 2.82Å; T242-N244 VanDerWaalsContact C-N 3.3Å; T242-Y249 HydrophobicContact CG2-CD2 4.19Å
243	D	86.7	Confident	91	Very high	97 Å²	97	35.4 Å²	35.4	52%	0.519	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-27.7	177.2	-73.6	-47.8	0	0	0	113.3	S241 R298	S241-D243 PolarHBondContact O-N 3.22Å; S241-D243 VanDerWaalsContact O-N 3.08Å; S241-D243 WeakPolarHBondContact OG-CB 3.43Å; S241-D243 PolarHBondContact OG-N 2.83Å; S241-D243 VanDerWaalsContact OG-N 3.11Å; D243-R298 IonicContact OD1-CZ 2.69Å; D243-R298 IonicContact OD1-NH1 3.86Å; D243-R298 PolarHBondContact OD1-NH1 2.92Å; D243-R298 IonicContact OD1-NH2 3.41Å; D243-R298 PolarHBondContact OD1-NH2 3.08Å
244	N	89.2	Confident	90.6	Very high	87 Å²	87	39.5 Å²	39.5	47%	0.465	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-8.2	-176.7	-61.2	-33	0	0	0	112.2	S154 S239 S241 T242 V246	S154-N244 VanDerWaalsContact CB-O 3.29Å; S154-N244 WeakPolarHBondContact CB-O 3.4Å; S154-N244 PolarHBondContact OG-O 2.93Å; S154-N244 VanDerWaalsContact OG-O 3.09Å; S239-N244 PolarHBondContact OG-ND2 2.85Å; S239-N244 VanDerWaalsContact OG-ND2 3.1Å; S241-N244 PolarHBondContact O-N 3.41Å; T242-N244 VanDerWaalsContact C-N 3.3Å; N244-V246 PolarHBondContact O-N 3.1Å
245	S	90.2	Very high	90.2	Very high	21 Å²	21	38.3 Å²	38.3	15%	0.147	22%	0.218	C	C	.	.			trans	-67.4	130.4	-173.5	-165.5	0	0	0	0	111.8	S241 V247	S241-S245 PolarHBondContact O-N 3.36Å; S245-V247 VanDerWaalsContact C-N 3.34Å; S245-V247 PolarHBondContact OG-N 3.32Å; S245-V247 PolarHBondContact OG-O 3.18Å; S245-V247 VanDerWaalsContact OG-O 3.1Å
246	V	92.1	Very high	89.8	Confident	27 Å²	27	34.5 Å²	34.5	16%	0.164	19%	0.191	C	C	.	.	S	Bend	trans	-75.2	-29.3	173.5	-175.2	0	0	0	0	110.7	L158 E159 I169 N244	L158-V246 HydrophobicContact CD2-CG2 4.26Å; E159-V246 HydrophobicContact CB-CG1 4.11Å; E159-V246 HydrophobicContact CG-CG1 4.33Å; I169-V246 HydrophobicContact CB-CG1 4.34Å; I169-V246 HydrophobicContact CD1-CG1 3.93Å; I169-V246 HydrophobicContact CG2-CG1 3.76Å; N244-V246 PolarHBondContact O-N 3.1Å
247	V	95	Very high	89.3	Confident	2 Å²	2	37 Å²	37	1%	0.012	20%	0.204	C	C	.	.	S	Bend	trans	-86.1	122.8	177.2	179.3	0	0	0	0	108.4	A133 Y151 F162 C172 S245 Y249	A133-V247 HydrophobicContact CB-CG1 4.3Å; A133-V247 HydrophobicContact CB-CG2 4.47Å; Y151-V247 HydrophobicContact CD1-CB 4.46Å; Y151-V247 HydrophobicContact CD1-CG2 3.95Å; Y151-V247 HydrophobicContact CE1-CG2 4.43Å; F162-V247 HydrophobicContact CE1-CG2 4.21Å; F162-V247 HydrophobicContact CE2-CG2 3.86Å; F162-V247 HydrophobicContact CZ-CG2 3.44Å; F162-V247 VanDerWaalsContact CZ-CG2 3.44Å; C172-V247 HydrophobicContact CB-CG1 4.32Å; S245-V247 VanDerWaalsContact C-N 3.34Å; S245-V247 PolarHBondContact OG-N 3.32Å; S245-V247 PolarHBondContact OG-O 3.18Å; S245-V247 VanDerWaalsContact OG-O 3.1Å; V247-Y249 PolarHBondContact O-N 3.05Å
248	P	94.4	Very high	88.6	Confident	15 Å²	15	35.4 Å²	35.4	10%	0.097	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-59	131.6	175.9	-24.7	35.8	0	0	0	111.2	I169 F170 T250 C294 T308	I169-P248 WeakPolarHBondContact O-CD 3.32Å; F170-P248 HydrophobicContact CD1-CG 3.89Å; F170-P248 HydrophobicContact CE1-CG 3.99Å; P248-T250 PolarHBondContact O-N 2.98Å; P248-C294 HydrophobicContact CB-CB 4.11Å; P248-C294 HydrophobicContact CG-CB 4.1Å; P248-T308 HydrophobicContact CB-CG2 4.1Å; P248-T308 HydrophobicContact CG-CG2 4.33Å
249	Y	92.8	Very high	87.7	Confident	58 Å²	58	37 Å²	37	23%	0.227	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-65.8	126.3	171.9	-176.2	-83.8	0	0	0	109.9	P150 T196 T242 V247	P150-Y249 HydrophobicContact CB-CD2 4.27Å; P150-Y249 HydrophobicContact CB-CE2 4.3Å; P150-Y249 HydrophobicContact CG-CD2 3.68Å; P150-Y249 HydrophobicContact CG-CE2 3.27Å; T196-Y249 WeakPolarHBondContact CA-OH 3.41Å; T242-Y249 HydrophobicContact CG2-CD2 4.19Å; V247-Y249 PolarHBondContact O-N 3.05Å
250	T	93.2	Very high	86.8	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.			trans	-122.1	142.1	177.3	64.4	0	0	0	0	109.4	W174 P248 I305 V306 T308	W174-T250 WeakPolarHBondContact CZ2-O 3.32Å; W174-T250 PolarHBondContact NE1-O 2.63Å; W174-T250 PolarHBondContact NE1-OG1 2.59Å; P248-T250 PolarHBondContact O-N 2.98Å; T250-I305 WeakPolarHBondContact CA-O 3.3Å; T250-I305 HydrophobicContact CG2-CG2 3.99Å; T250-V306 WeakPolarHBondContact CB-O 3.44Å; T250-T308 HydrophobicContact CG2-CG2 4.26Å
251	I	91.3	Very high	85.9	Confident	6 Å²	6	42.1 Å²	42.1	3%	0.031	23%	0.234	C	C	.	.			trans	-77.5	-27.3	174.5	-168	168.2	0	0	0	111.8	W174 T196 L255 L256 I259 T304 I305	W174-I251 WeakPolarHBondContact CZ2-O 3.27Å; T196-I251 HydrophobicContact CG2-CD1 3.66Å; T196-I251 HydrophobicContact CG2-CG1 3.75Å; I251-L255 HydrophobicContact CG1-CB 4.41Å; I251-L255 HydrophobicContact CG1-CD2 3.84Å; I251-L255 HydrophobicContact CG1-CG 4.08Å; I251-L255 VanDerWaalsContact O-CB 3.31Å; I251-L255 WeakPolarHBondContact O-CB 3.4Å; I251-L256 HydrophobicContact CG2-CB 4.41Å; I251-I259 HydrophobicContact CD1-CD1 3.62Å; I251-I259 HydrophobicContact CG1-CD1 4.42Å; I251-T304 HydrophobicContact CB-CG2 4.09Å; I251-T304 HydrophobicContact CG2-CG2 4Å; I251-I305 PolarHBondContact N-O 3.24Å
252	G	90.4	Very high	85	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.256	C	S	.	.			trans	76.4	142.4	-173.7	0	0	0	0	0	113.1	Y175 K254 L256 V306	Y175-G252 VanDerWaalsContact CE1-CA 3.42Å; Y175-G252 VanDerWaalsContact CG-CA 3.47Å; G252-K254 PolarHBondContact O-N 3.25Å; G252-L256 WeakPolarHBondContact O-CB 3.31Å; G252-L256 PolarHBondContact O-N 2.98Å; G252-V306 VanDerWaalsContact CA-O 3.3Å; G252-V306 WeakPolarHBondContact CA-O 3.34Å; G252-V306 PolarHBondContact N-O 2.8Å
253	N	85.9	Confident	84	Confident	50 Å²	50	45.9 Å²	45.9	27%	0.267	25%	0.246	S	C	.	.	H	α-helix	trans	-66.5	-38.5	-175.9	-167	-4.9	0	0	0	112	Y175 L255 L256 N257 V306	Y175-N253 HydrophobicContact CE2-CB 4.13Å; N253-L255 PolarHBondContact O-N 3.37Å; N253-L256 PolarHBondContact O-N 3.02Å; N253-N257 VanDerWaalsContact O-CG 3.28Å; N253-N257 PolarHBondContact O-N 3.03Å; N253-N257 PolarHBondContact O-ND2 3.07Å; N253-N257 VanDerWaalsContact O-ND2 3.07Å; N253-N257 PolarHBondContact OD1-ND2 2.91Å; N253-V306 HydrophobicContact CB-CG1 4.21Å
254	K	80.9	Confident	82.8	Confident	89 Å²	89	49.4 Å²	49.4	39%	0.387	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-44.1	179.5	-166.5	176.1	-174.7	175.6	0	112.4	Y175 L193 G252 T258	Y175-K254 HydrophobicContact CD2-CB 3.97Å; Y175-K254 WeakPolarHBondContact O-CD 3.39Å; L193-K254 HydrophobicContact CD1-CB 4.32Å; L193-K254 HydrophobicContact CD1-CD 4.48Å; L193-K254 HydrophobicContact CD1-CG 4.42Å; G252-K254 PolarHBondContact O-N 3.25Å; K254-T258 PolarHBondContact O-N 2.9Å; K254-T258 VanDerWaalsContact O-N 3.1Å; K254-T258 PolarHBondContact O-OG1 3.13Å
255	L	81.5	Confident	81.4	Confident	13 Å²	13	49.3 Å²	49.3	7%	0.068	26%	0.264	C	S	.	.	H	α-helix	trans	-68	-42.5	176	-179.5	57.8	0	0	0	111.3	W174 L193 T196 I251 N253 N257 T258 I259	W174-L255 HydrophobicContact CH2-CD2 4.15Å; L193-L255 HydrophobicContact CB-CD1 4.4Å; L193-L255 HydrophobicContact CD1-CB 3.9Å; T196-L255 HydrophobicContact CG2-CD2 4.25Å; I251-L255 HydrophobicContact CG1-CB 4.41Å; I251-L255 HydrophobicContact CG1-CD2 3.84Å; I251-L255 HydrophobicContact CG1-CG 4.08Å; I251-L255 VanDerWaalsContact O-CB 3.31Å; I251-L255 WeakPolarHBondContact O-CB 3.4Å; N253-L255 PolarHBondContact O-N 3.37Å; L255-N257 PolarHBondContact O-N 2.86Å; L255-T258 WeakPolarHBondContact O-CB 3.37Å; L255-T258 PolarHBondContact O-N 3.33Å; L255-T258 VanDerWaalsContact O-N 3.13Å; L255-I259 HydrophobicContact CD1-CD1 4.2Å; L255-I259 HydrophobicContact CD1-CG1 4.33Å; L255-I259 HydrophobicContact CG-CD1 3.92Å; L255-I259 HydrophobicContact CG-CG1 4.5Å; L255-I259 WeakPolarHBondContact O-CG1 2.99Å; L255-I259 PolarHBondContact O-N 2.78Å
256	L	81.2	Confident	80.1	Confident	10 Å²	10	54.7 Å²	54.7	5%	0.052	29%	0.287	C	S	.	.	H	α-helix	trans	-56.7	-47.5	175.6	179.5	63	0	0	0	111.8	I251 G252 N253 T258 I259 L260 F272 V306 T340	I251-L256 HydrophobicContact CG2-CB 4.41Å; G252-L256 WeakPolarHBondContact O-CB 3.31Å; G252-L256 PolarHBondContact O-N 2.98Å; N253-L256 PolarHBondContact O-N 3.02Å; L256-T258 VanDerWaalsContact C-N 3.28Å; L256-T258 PolarHBondContact O-N 3.29Å; L256-I259 PolarHBondContact O-N 2.9Å; L256-L260 HydrophobicContact CD1-CD1 4.31Å; L256-L260 HydrophobicContact CD1-CG 4.38Å; L256-L260 HydrophobicContact CG-CD1 4.1Å; L256-L260 WeakPolarHBondContact O-CG 3.36Å; L256-L260 PolarHBondContact O-N 3.34Å; L256-F272 HydrophobicContact CD1-CG 4.4Å; L256-V306 HydrophobicContact CD2-CG1 4.27Å; L256-V306 HydrophobicContact CD2-CG2 3.93Å; L256-T340 HydrophobicContact CD1-CG2 4.26Å; L256-T340 HydrophobicContact CD2-CG2 3.96Å
257	N	81.1	Confident	78.7	Confident	85 Å²	85	59 Å²	59	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-63.3	-35.5	177.2	-68	-34.4	0	0	0	112.4	N253 L255 L260 S261	N253-N257 VanDerWaalsContact O-CG 3.28Å; N253-N257 PolarHBondContact O-N 3.03Å; N253-N257 PolarHBondContact O-ND2 3.07Å; N253-N257 VanDerWaalsContact O-ND2 3.07Å; N253-N257 PolarHBondContact OD1-ND2 2.91Å; L255-N257 PolarHBondContact O-N 2.86Å; N257-L260 PolarHBondContact O-N 3.18Å; N257-S261 WeakPolarHBondContact O-CB 3.27Å; N257-S261 PolarHBondContact O-N 3Å; N257-S261 PolarHBondContact O-OG 3.31Å
258	T	77	Confident	77.2	Confident	54 Å²	54	61 Å²	61	33%	0.331	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-45.1	174.4	-55.4	0	0	0	0	110.9	K254 L255 L256 L260 S261 Q262	K254-T258 PolarHBondContact O-N 2.9Å; K254-T258 VanDerWaalsContact O-N 3.1Å; K254-T258 PolarHBondContact O-OG1 3.13Å; L255-T258 WeakPolarHBondContact O-CB 3.37Å; L255-T258 PolarHBondContact O-N 3.33Å; L255-T258 VanDerWaalsContact O-N 3.13Å; L256-T258 VanDerWaalsContact C-N 3.28Å; L256-T258 PolarHBondContact O-N 3.29Å; T258-L260 PolarHBondContact O-N 3.27Å; T258-S261 PolarHBondContact O-N 3.04Å; T258-S261 PolarHBondContact O-OG 2.75Å; T258-S261 VanDerWaalsContact O-OG 3.04Å; T258-Q262 HydrophobicContact CG2-CG 4.43Å; T258-Q262 WeakPolarHBondContact O-CB 3.28Å; T258-Q262 VanDerWaalsContact O-CG 3.3Å; T258-Q262 WeakPolarHBondContact O-CG 3.42Å; T258-Q262 PolarHBondContact O-N 3.42Å
259	I	76.2	Confident	75.7	Confident	45 Å²	45	65.5 Å²	65.5	23%	0.231	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-45.3	176.8	-69.2	164.5	0	0	0	111	I251 L255 L256 S263 I268	I251-I259 HydrophobicContact CD1-CD1 3.62Å; I251-I259 HydrophobicContact CG1-CD1 4.42Å; L255-I259 HydrophobicContact CD1-CD1 4.2Å; L255-I259 HydrophobicContact CD1-CG1 4.33Å; L255-I259 HydrophobicContact CG-CD1 3.92Å; L255-I259 HydrophobicContact CG-CG1 4.5Å; L255-I259 WeakPolarHBondContact O-CG1 2.99Å; L255-I259 PolarHBondContact O-N 2.78Å; L256-I259 PolarHBondContact O-N 2.9Å; I259-S263 WeakPolarHBondContact O-CB 3.46Å; I259-S263 PolarHBondContact O-N 2.99Å; I259-S263 VanDerWaalsContact O-N 3.13Å; I259-S263 PolarHBondContact O-OG 2.96Å; I259-I268 HydrophobicContact CG2-CG2 3.96Å
260	L	76.8	Confident	74.4	Confident	47 Å²	47	69 Å²	69	25%	0.246	35%	0.354	C	S	.	.	H	α-helix	trans	-64.7	-45.8	179.8	-69.6	172.4	0	0	0	111.8	L256 N257 T258 S263 I268 F272	L256-L260 HydrophobicContact CD1-CD1 4.31Å; L256-L260 HydrophobicContact CD1-CG 4.38Å; L256-L260 HydrophobicContact CG-CD1 4.1Å; L256-L260 WeakPolarHBondContact O-CG 3.36Å; L256-L260 PolarHBondContact O-N 3.34Å; N257-L260 PolarHBondContact O-N 3.18Å; T258-L260 PolarHBondContact O-N 3.27Å; L260-S263 PolarHBondContact O-N 3.19Å; L260-S263 PolarHBondContact O-OG 2.87Å; L260-I268 HydrophobicContact CD2-CG2 4.42Å; L260-F272 HydrophobicContact CD2-CB 4.33Å
261	S	74.8	Confident	73.5	Confident	95 Å²	95	72.6 Å²	72.6	66%	0.664	37%	0.371	S	S	*	.	H	α-helix	trans	-69.3	-32.5	-179.6	57.9	0	0	0	0	114.1	N257 T258 S263	N257-S261 WeakPolarHBondContact O-CB 3.27Å; N257-S261 PolarHBondContact O-N 3Å; N257-S261 PolarHBondContact O-OG 3.31Å; T258-S261 PolarHBondContact O-N 3.04Å; T258-S261 PolarHBondContact O-OG 2.75Å; T258-S261 VanDerWaalsContact O-OG 3.04Å; S261-S263 VanDerWaalsContact C-N 3.34Å
262	Q	70.5	Confident	72.9	Confident	149 Å²	149	73.9 Å²	73.9	70%	0.696	38%	0.376	S	S	*	.	H	α-helix	trans	-79.4	-18.1	176	-69.7	178.3	-1.8	0	0	112.8	T258 N264	T258-Q262 HydrophobicContact CG2-CG 4.43Å; T258-Q262 WeakPolarHBondContact O-CB 3.28Å; T258-Q262 VanDerWaalsContact O-CG 3.3Å; T258-Q262 WeakPolarHBondContact O-CG 3.42Å; T258-Q262 PolarHBondContact O-N 3.42Å; Q262-N264 PolarHBondContact O-N 3.48Å
263	S	63.8	Low	72.5	Confident	14 Å²	14	78.3 Å²	78.3	10%	0.098	40%	0.4	C	S	.	.			trans	-80.8	101.1	179.6	70.4	0	0	0	0	111.6	I259 L260 S261 N265	I259-S263 WeakPolarHBondContact O-CB 3.46Å; I259-S263 PolarHBondContact O-N 2.99Å; I259-S263 VanDerWaalsContact O-N 3.13Å; I259-S263 PolarHBondContact O-OG 2.96Å; L260-S263 PolarHBondContact O-N 3.19Å; L260-S263 PolarHBondContact O-OG 2.87Å; S261-S263 VanDerWaalsContact C-N 3.34Å; S263-N265 PolarHBondContact O-N 2.68Å
264	N	59.9	Low	72.7	Confident	171 Å²	171	77.3 Å²	77.3	91%	0.914	39%	0.393	S	S	*	.			trans	-68	10.4	158	-77	-22.9	0	0	0	112.3	Q262	Q262-N264 PolarHBondContact O-N 3.48Å
265	N	61.1	Low	73.2	Confident	85 Å²	85	75 Å²	75	46%	0.455	39%	0.388	S	S	.	.			trans	-109.8	99.5	-160.3	-146	-11.9	0	0	0	108.1	S263 I267 I268	S263-N265 PolarHBondContact O-N 2.68Å; N265-I267 PolarHBondContact O-N 3.23Å; N265-I268 HydrophobicContact CB-CD1 4.38Å; N265-I268 HydrophobicContact CB-CG1 4.47Å; N265-I268 PolarHBondContact O-N 2.98Å
266	Q	61.4	Low	73.9	Confident	134 Å²	134	74.4 Å²	74.4	63%	0.626	39%	0.385	S	S	*	.	H	α-helix	trans	-49.3	-20.3	176.4	-68	-177	-6.5	0	0	113.3	K270	Q266-K270 VanDerWaalsContact O-CB 3.3Å; Q266-K270 WeakPolarHBondContact O-CB 3.3Å; Q266-K270 WeakPolarHBondContact O-CD 3.48Å; Q266-K270 WeakPolarHBondContact O-CG 3.4Å; Q266-K270 PolarHBondContact O-N 3.35Å; Q266-K270 VanDerWaalsContact O-N 3.08Å
267	I	63.5	Low	74.6	Confident	117 Å²	117	74 Å²	74	60%	0.6	38%	0.383	S	S	*	.	H	α-helix	trans	-66.9	-44.5	176.2	-59.6	174.7	0	0	0	111.9	N265 K270 Q271	N265-I267 PolarHBondContact O-N 3.23Å; I267-K270 PolarHBondContact O-N 3Å; I267-Q271 PolarHBondContact O-N 2.99Å
268	I	64.1	Low	75.4	Confident	45 Å²	45	70 Å²	70	23%	0.231	36%	0.362	C	S	.	.	H	α-helix	trans	-70.9	-44.3	-178.3	-65.4	174.8	0	0	0	109.8	I259 L260 N265 K270 Q271 F272	I259-I268 HydrophobicContact CG2-CG2 3.96Å; L260-I268 HydrophobicContact CD2-CG2 4.42Å; N265-I268 HydrophobicContact CB-CD1 4.38Å; N265-I268 HydrophobicContact CB-CG1 4.47Å; N265-I268 PolarHBondContact O-N 2.98Å; I268-K270 VanDerWaalsContact C-N 3.27Å; I268-K270 PolarHBondContact O-N 3.06Å; I268-Q271 WeakPolarHBondContact O-CB 3.43Å; I268-Q271 PolarHBondContact O-N 2.84Å; I268-F272 HydrophobicContact CG2-CD2 3.96Å; I268-F272 HydrophobicContact CG2-CE2 4.23Å; I268-F272 WeakPolarHBondContact O-CD2 3.48Å; I268-F272 PolarHBondContact O-N 3.43Å; I268-F272 VanDerWaalsContact O-N 3.09Å
269	E	63.4	Low	76.3	Confident	108 Å²	108	67.4 Å²	67.4	51%	0.505	35%	0.346	S	S	.	.	H	α-helix	trans	-56.5	-42.7	172.8	-70	-175.9	159	0	0	111.4	Q271 F272 N273	E269-Q271 VanDerWaalsContact C-N 3.32Å; E269-Q271 PolarHBondContact O-N 2.63Å; E269-F272 CarbonylContact O-C 3.53Å; E269-F272 PolarHBondContact O-N 2.97Å; E269-N273 WeakPolarHBondContact O-CA 3.39Å; E269-N273 VanDerWaalsContact O-CB 3.28Å; E269-N273 WeakPolarHBondContact O-CB 3.14Å; E269-N273 PolarHBondContact O-N 2.95Å; E269-N273 VanDerWaalsContact O-N 3.16Å
270	K	65.3	Low	77.2	Confident	132 Å²	132	65.3 Å²	65.3	57%	0.574	34%	0.335	S	S	*	.	H	α-helix	trans	-65.6	-32.1	175.4	-78.5	173.5	-175.5	178.5	0	113.2	Q266 I267 I268	Q266-K270 VanDerWaalsContact O-CB 3.3Å; Q266-K270 WeakPolarHBondContact O-CB 3.3Å; Q266-K270 WeakPolarHBondContact O-CD 3.48Å; Q266-K270 WeakPolarHBondContact O-CG 3.4Å; Q266-K270 PolarHBondContact O-N 3.35Å; Q266-K270 VanDerWaalsContact O-N 3.08Å; I267-K270 PolarHBondContact O-N 3Å; I268-K270 VanDerWaalsContact C-N 3.27Å; I268-K270 PolarHBondContact O-N 3.06Å
271	Q	73	Confident	78	Confident	75 Å²	75	63.1 Å²	63.1	35%	0.35	32%	0.323	S	S	.	.	H	α-helix	trans	-70.6	-33.5	178.6	-173.3	173.8	4.5	0	0	112.1	I267 I268 E269 G341 T342	I267-Q271 PolarHBondContact O-N 2.99Å; I268-Q271 WeakPolarHBondContact O-CB 3.43Å; I268-Q271 PolarHBondContact O-N 2.84Å; E269-Q271 VanDerWaalsContact C-N 3.32Å; E269-Q271 PolarHBondContact O-N 2.63Å; Q271-G341 CarbonylContact O-C 3.51Å; Q271-G341 VanDerWaalsContact O-CA 3.25Å; Q271-G341 WeakPolarHBondContact O-CA 3.49Å; Q271-T342 PolarHBondContact O-N 3.3Å; Q271-T342 VanDerWaalsContact O-N 3.07Å
272	F	79.1	Confident	78.9	Confident	33 Å²	33	59.9 Å²	59.9	15%	0.145	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	42.1	-176.4	-57.8	-63.4	0	0	0	111.9	L256 L260 I268 E269 T340	L256-F272 HydrophobicContact CD1-CG 4.4Å; L260-F272 HydrophobicContact CD2-CB 4.33Å; I268-F272 HydrophobicContact CG2-CD2 3.96Å; I268-F272 HydrophobicContact CG2-CE2 4.23Å; I268-F272 WeakPolarHBondContact O-CD2 3.48Å; I268-F272 PolarHBondContact O-N 3.43Å; I268-F272 VanDerWaalsContact O-N 3.09Å; E269-F272 CarbonylContact O-C 3.53Å; E269-F272 PolarHBondContact O-N 2.97Å; F272-T340 HydrophobicContact CB-CG2 4.47Å; F272-T340 HydrophobicContact CD1-CG2 3.55Å; F272-T340 HydrophobicContact CE1-CG2 4.15Å; F272-T340 HydrophobicContact CG-CG2 4.33Å
273	N	81.8	Confident	79.9	Confident	94 Å²	94	54.6 Å²	54.6	50%	0.503	28%	0.275	S	S	.	.			trans	-85.8	-7.2	-172.8	66.1	-4	0	0	0	114.7	E269 G341 T342 S343	E269-N273 WeakPolarHBondContact O-CA 3.39Å; E269-N273 VanDerWaalsContact O-CB 3.28Å; E269-N273 WeakPolarHBondContact O-CB 3.14Å; E269-N273 PolarHBondContact O-N 2.95Å; E269-N273 VanDerWaalsContact O-N 3.16Å; N273-G341 PolarHBondContact N-O 3.11Å; N273-G341 PolarHBondContact OD1-O 3.08Å; N273-T342 WeakPolarHBondContact OD1-CA 3.45Å; N273-S343 PolarHBondContact OD1-N 3.45Å
274	K	90.1	Very high	81.2	Confident	29 Å²	29	63.7 Å²	63.7	13%	0.126	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	147.6	-179	-171.6	172.6	-177.1	171.3	0	110.3	T340 G341 L346 D347 T371	K274-T340 VanDerWaalsContact O-CA 3.31Å; K274-T340 WeakPolarHBondContact O-CA 3.34Å; K274-T340 PolarHBondContact O-OG1 3.38Å; K274-G341 PolarHBondContact N-O 2.89Å; K274-G341 PolarHBondContact O-N 3.3Å; K274-L346 VanDerWaalsContact C-CD1 3.5Å; K274-L346 HydrophobicContact CB-CD1 3.91Å; K274-L346 HydrophobicContact CD-CB 4.19Å; K274-L346 HydrophobicContact CD-CD1 4.5Å; K274-L346 HydrophobicContact CG-CB 4.49Å; K274-L346 HydrophobicContact CG-CD1 3.91Å; K274-L346 WeakPolarHBondContact O-CD1 3.29Å; K274-D347 IonicContact NZ-OD1 3.31Å; K274-D347 PolarHBondContact NZ-OD1 3.5Å; K274-T371 WeakPolarHBondContact CE-O 3.32Å; K274-T371 PolarHBondContact NZ-O 3.14Å
275	S	92.6	Very high	82.8	Confident	41 Å²	41	58 Å²	58	29%	0.287	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	151.8	172.3	-57.1	0	0	0	0	110.3	I339	S275-I339 CarbonylContact C-O 3.56Å; S275-I339 VanDerWaalsContact CA-O 3.24Å; S275-I339 WeakPolarHBondContact CA-O 3.21Å
276	A	95.6	Very high	84.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	157.6	171.1	0	0	0	0	0	109.9	I339 L346 L349 T370 T371	A276-I339 HydrophobicContact CB-CD1 3.86Å; A276-I339 HydrophobicContact CB-CG1 3.75Å; A276-I339 PolarHBondContact N-O 2.81Å; A276-I339 WeakPolarHBondContact O-CG1 3.28Å; A276-I339 PolarHBondContact O-N 2.81Å; A276-L346 HydrophobicContact CB-CD1 4.03Å; A276-L346 HydrophobicContact CB-CD2 4.31Å; A276-L349 HydrophobicContact CB-CD2 4.41Å; A276-T370 CarbonylContact C-O 3.53Å; A276-T370 WeakPolarHBondContact CA-O 3.07Å; A276-T370 VanDerWaalsContact CB-O 3.24Å; A276-T370 WeakPolarHBondContact CB-O 3.29Å; A276-T371 HydrophobicContact CB-CG2 4.11Å
277	L	96.1	Very high	86	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	118.1	178.2	-174.8	70.1	0	0	0	109.4	E338 T370 T376 R379 I380 L383	L277-E338 HydrophobicContact CD1-CB 4.45Å; L277-T370 PolarHBondContact N-O 3.3Å; L277-T370 PolarHBondContact O-N 2.95Å; L277-T376 HydrophobicContact CB-CG2 4.28Å; L277-R379 HydrophobicContact CD2-CB 3.62Å; L277-R379 HydrophobicContact CD2-CG 4.44Å; L277-I380 HydrophobicContact CD1-CG1 4.43Å; L277-L383 HydrophobicContact CD1-CD1 4.35Å; L277-L383 HydrophobicContact CD2-CD1 3.84Å
278	I	96.7	Very high	87.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.5	169.9	-55.7	163.5	0	0	0	107.2	I280 I293 L297 T336 I337 I339 L349 I353 I367 I369	I278-I280 HydrophobicContact CG2-CG1 4.31Å; I278-I293 HydrophobicContact CD1-CG2 3.79Å; I278-I293 HydrophobicContact CG2-CD1 4.25Å; I278-L297 HydrophobicContact CD1-CD1 3.83Å; I278-L297 HydrophobicContact CD1-CD2 4.45Å; I278-T336 CarbonylContact O-C 3.55Å; I278-T336 VanDerWaalsContact O-CA 3.32Å; I278-T336 WeakPolarHBondContact O-CA 3.3Å; I278-I337 HydrophobicContact CB-CB 4.23Å; I278-I337 PolarHBondContact N-O 3.5Å; I278-I337 PolarHBondContact O-N 3.44Å; I278-I339 HydrophobicContact CD1-CD1 4.05Å; I278-I339 HydrophobicContact CG1-CD1 4.38Å; I278-L349 HydrophobicContact CD1-CD2 4.31Å; I278-L349 HydrophobicContact CG1-CD2 4.41Å; I278-I353 HydrophobicContact CD1-CD1 3.49Å; I278-I353 VanDerWaalsContact CD1-CD1 3.49Å; I278-I353 HydrophobicContact CG1-CD1 4.25Å; I278-I367 HydrophobicContact CG2-CG2 4.08Å; I278-I369 HydrophobicContact CG1-CG1 4.25Å; I278-I369 HydrophobicContact CG1-CG2 4.3Å; I278-I369 HydrophobicContact CG2-CG1 4.27Å
279	T	95.7	Very high	89.1	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126	179.8	-57	0	0	0	0	108.7	F281 F322 V334 T336 I367 Q368	T279-F281 HydrophobicContact CG2-CD1 4.27Å; T279-F281 HydrophobicContact CG2-CD2 4.47Å; T279-F281 HydrophobicContact CG2-CE1 3.78Å; T279-F281 HydrophobicContact CG2-CE2 4.02Å; T279-F281 HydrophobicContact CG2-CZ 3.64Å; T279-F322 HydrophobicContact CG2-CD1 3.67Å; T279-F322 HydrophobicContact CG2-CE1 3.39Å; T279-F322 HydrophobicContact CG2-CE2 4.41Å; T279-F322 HydrophobicContact CG2-CG 4.29Å; T279-F322 HydrophobicContact CG2-CZ 3.79Å; T279-F322 WeakPolarHBondContact OG1-CE1 3.37Å; T279-V334 HydrophobicContact CG2-CG1 3.48Å; T279-V334 VanDerWaalsContact CG2-CG1 3.48Å; T279-T336 HydrophobicContact CG2-CG2 4.41Å; T279-I367 CarbonylContact O-C 3.52Å; T279-I367 WeakPolarHBondContact O-CA 3.22Å; T279-Q368 PolarHBondContact N-O 3.3Å; T279-Q368 PolarHBondContact O-N 2.86Å
280	I	95.7	Very high	90.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	108.5	-180	-52.6	167.9	0	0	0	106.9	I278 A286 A290 I293 I335 I337 I367	I278-I280 HydrophobicContact CG2-CG1 4.31Å; I280-A286 HydrophobicContact CG2-CB 4.15Å; I280-A290 HydrophobicContact CD1-CB 3.43Å; I280-A290 VanDerWaalsContact CD1-CB 3.43Å; I280-I293 HydrophobicContact CD1-CD1 3.86Å; I280-I293 HydrophobicContact CG1-CD1 4.37Å; I280-I335 HydrophobicContact CB-CB 4.27Å; I280-I335 PolarHBondContact N-O 2.81Å; I280-I335 PolarHBondContact O-N 2.88Å; I280-I337 HydrophobicContact CD1-CD1 4.21Å; I280-I367 HydrophobicContact CG1-CG1 4.29Å; I280-I367 HydrophobicContact CG2-CG1 4.31Å
281	F	94.5	Very high	92.1	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	21%	0.205	C	C	.	.			trans	-77.4	159.9	-178.5	-63.9	-74.6	0	0	0	111.7	T279 H283 I318 F322 F329 V334 Y366 Q368	T279-F281 HydrophobicContact CG2-CD1 4.27Å; T279-F281 HydrophobicContact CG2-CD2 4.47Å; T279-F281 HydrophobicContact CG2-CE1 3.78Å; T279-F281 HydrophobicContact CG2-CE2 4.02Å; T279-F281 HydrophobicContact CG2-CZ 3.64Å; F281-H283 PolarHBondContact O-N 2.99Å; F281-H283 PolarHBondContact O-ND1 3.03Å; F281-I318 HydrophobicContact CD1-CG2 4.37Å; F281-I318 HydrophobicContact CE1-CG2 4Å; F281-F322 HydrophobicContact CE1-CB 4.06Å; F281-F322 AromaticContact CE1-CD2 3.71Å; F281-F322 HydrophobicContact CE1-CD2 3.71Å; F281-F322 HydrophobicContact CE1-CE2 4.27Å; F281-F322 AromaticContact CE1-CG 3.84Å; F281-F322 HydrophobicContact CE1-CG 3.84Å; F281-F322 HydrophobicContact CZ-CB 3.77Å; F281-F322 HydrophobicContact CZ-CD1 4.35Å; F281-F322 HydrophobicContact CZ-CD2 4.22Å; F281-F322 AromaticContact CZ-CG 3.87Å; F281-F322 HydrophobicContact CZ-CG 3.87Å; F281-F329 HydrophobicContact CB-CB 4.35Å; F281-F329 HydrophobicContact CB-CD1 3.43Å; F281-F329 VanDerWaalsContact CB-CD1 3.43Å; F281-F329 HydrophobicContact CB-CE1 4.03Å; F281-F329 HydrophobicContact CB-CG 4.08Å; F281-F329 HydrophobicContact CD1-CB 4.11Å; F281-F329 HydrophobicContact CD1-CD1 4.21Å; F281-F329 HydrophobicContact CD1-CG 4.04Å; F281-F329 AromaticContact CD2-CD1 3.66Å; F281-F329 HydrophobicContact CD2-CD1 3.66Å; F281-F329 HydrophobicContact CD2-CD2 4.4Å; F281-F329 AromaticContact CD2-CE1 3.61Å; F281-F329 HydrophobicContact CD2-CE1 3.61Å; F281-F329 HydrophobicContact CD2-CE2 4.34Å; F281-F329 HydrophobicContact CD2-CG 4.07Å; F281-F329 AromaticContact CD2-CZ 3.94Å; F281-F329 HydrophobicContact CD2-CZ 3.94Å; F281-F329 HydrophobicContact CE2-CD1 4.48Å; F281-F329 HydrophobicContact CE2-CD2 4.48Å; F281-F329 HydrophobicContact CE2-CE1 4.33Å; F281-F329 HydrophobicContact CE2-CE2 4.3Å; F281-F329 HydrophobicContact CE2-CZ 4.21Å; F281-F329 HydrophobicContact CG-CB 4.24Å; F281-F329 AromaticContact CG-CD1 3.5Å; F281-F329 HydrophobicContact CG-CD1 3.5Å; F281-F329 HydrophobicContact CG-CD2 4.47Å; F281-F329 AromaticContact CG-CE1 3.96Å; F281-F329 HydrophobicContact CG-CE1 3.96Å; F281-F329 AromaticContact CG-CG 3.79Å; F281-F329 HydrophobicContact CG-CG 3.79Å; F281-V334 HydrophobicContact CD1-CG1 4.4Å; F281-V334 HydrophobicContact CD1-CG2 4.23Å; F281-Y366 HydrophobicContact CB-CD1 4.42Å; F281-Y366 WeakPolarHBondContact CD2-O 3.19Å; F281-Y366 PolarHBondContact N-O 3.19Å; F281-Q368 HydrophobicContact CE2-CB 3.78Å; F281-Q368 HydrophobicContact CZ-CB 4.47Å
282	P	92.4	Very high	93.2	Very high	27 Å²	27	38.5 Å²	38.5	18%	0.175	20%	0.199	C	C	.	.	S	Bend	trans	-56.1	121.4	-178.6	-25.6	34	0	0	0	112.6	R330 N333 V334	P282-R330 WeakPolarHBondContact CG-O 3.47Å; P282-N333 WeakPolarHBondContact CG-O 3.5Å; P282-V334 HydrophobicContact CG-CG2 4.48Å
283	H	92.7	Very high	94	Very high	38 Å²	38	37 Å²	37	18%	0.176	19%	0.192	C	C	.	.			trans	-159.1	168	169.4	69.8	-78.3	0	0	0	109.5	F281 S285 A286 S289 S363 Y366	F281-H283 PolarHBondContact O-N 2.99Å; F281-H283 PolarHBondContact O-ND1 3.03Å; H283-S285 VanDerWaalsContact C-N 3.25Å; H283-S285 PolarHBondContact CD2-N 2.97Å; H283-S285 VanDerWaalsContact NE2-C 3.31Å; H283-S285 PolarHBondContact O-N 3.09Å; H283-S285 VanDerWaalsContact O-N 3.15Å; H283-A286 WeakPolarHBondContact CE1-CA 3.49Å; H283-A286 PolarHBondContact NE2-N 2.76Å; H283-A286 WeakPolarHBondContact O-CB 3.2Å; H283-A286 PolarHBondContact O-N 3.49Å; H283-A286 VanDerWaalsContact O-N 3.11Å; H283-S289 PolarHBondContact NE2-OG 3.27Å; H283-S363 PolarHBondContact CD2-OG 2.93Å; H283-S363 VanDerWaalsContact CD2-OG 3.29Å; H283-S363 WeakPolarHBondContact NE2-CB 3.32Å; H283-S363 PolarHBondContact NE2-OG 3.41Å; H283-Y366 HydrophobicContact CB-CD1 3.97Å; H283-Y366 HydrophobicContact CB-CD2 4.07Å; H283-Y366 HydrophobicContact CB-CE1 4.27Å; H283-Y366 HydrophobicContact CB-CE2 4.36Å; H283-Y366 HydrophobicContact CB-CG 3.87Å
284	E	91.1	Very high	94.6	Very high	205 Å²	205	32.8 Å²	32.8	96%	0.958	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-37.2	-172.8	-173.7	177.2	177	0	0	113.9
285	S	93.7	Very high	94.8	Very high	51 Å²	51	34.6 Å²	34.6	36%	0.357	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	24.4	-178.2	-48.5	0	0	0	0	113.6	H283 I287 Q288 S289	H283-S285 VanDerWaalsContact C-N 3.25Å; H283-S285 PolarHBondContact CD2-N 2.97Å; H283-S285 VanDerWaalsContact NE2-C 3.31Å; H283-S285 PolarHBondContact O-N 3.09Å; H283-S285 VanDerWaalsContact O-N 3.15Å; S285-I287 PolarHBondContact O-N 3.17Å; S285-Q288 PolarHBondContact O-N 3.42Å; S285-S289 WeakPolarHBondContact O-CB 3.25Å; S285-S289 PolarHBondContact O-N 3.46Å; S285-S289 PolarHBondContact O-OG 3.23Å
286	A	94.7	Very high	94.9	Very high	9 Å²	9	34.4 Å²	34.4	7%	0.074	18%	0.175	C	C	.	.	H	α-helix	trans	-59.1	-48.3	-175.9	0	0	0	0	0	113.1	I280 H283 Q288 S289 A290	I280-A286 HydrophobicContact CG2-CB 4.15Å; H283-A286 WeakPolarHBondContact CE1-CA 3.49Å; H283-A286 PolarHBondContact NE2-N 2.76Å; H283-A286 WeakPolarHBondContact O-CB 3.2Å; H283-A286 PolarHBondContact O-N 3.49Å; H283-A286 VanDerWaalsContact O-N 3.11Å; A286-Q288 PolarHBondContact O-N 3.17Å; A286-S289 PolarHBondContact O-N 3.43Å; A286-A290 WeakPolarHBondContact O-CB 3.35Å; A286-A290 PolarHBondContact O-N 2.69Å
287	I	95.1	Very high	94.8	Very high	94 Å²	94	34.5 Å²	34.5	48%	0.482	18%	0.175	S	C	.	.	H	α-helix	trans	-61.5	-45.6	178.3	-65.8	173.4	0	0	0	110.5	F170 S285 S289 A290 K291 I335	F170-I287 HydrophobicContact CE2-CB 4.48Å; F170-I287 HydrophobicContact CE2-CG1 4.4Å; F170-I287 HydrophobicContact CE2-CG2 4.09Å; F170-I287 HydrophobicContact CZ-CG2 4.41Å; S285-I287 PolarHBondContact O-N 3.17Å; I287-S289 PolarHBondContact O-N 3.16Å; I287-A290 PolarHBondContact O-N 2.95Å; I287-K291 HydrophobicContact CG2-CD 4.32Å; I287-K291 WeakPolarHBondContact O-CG 3.44Å; I287-K291 PolarHBondContact O-N 3.13Å; I287-I335 HydrophobicContact CG1-CD1 4.35Å
288	Q	95.3	Very high	94.5	Very high	106 Å²	106	37.9 Å²	37.9	50%	0.495	19%	0.188	S	C	.	.	H	α-helix	trans	-63.8	-41.2	178.9	-174	59.5	28.9	0	0	111.9	S285 A286 K291 I292	S285-Q288 PolarHBondContact O-N 3.42Å; A286-Q288 PolarHBondContact O-N 3.17Å; Q288-K291 PolarHBondContact O-N 2.83Å; Q288-I292 HydrophobicContact CG-CD1 4.1Å; Q288-I292 VanDerWaalsContact O-CG1 3.29Å; Q288-I292 WeakPolarHBondContact O-CG1 3.49Å; Q288-I292 PolarHBondContact O-N 3.05Å
289	S	96.3	Very high	94.2	Very high	4 Å²	4	44.5 Å²	44.5	3%	0.028	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-42.8	176.5	-57.8	0	0	0	0	111.2	H283 S285 A286 I287 I292 I293	H283-S289 PolarHBondContact NE2-OG 3.27Å; S285-S289 WeakPolarHBondContact O-CB 3.25Å; S285-S289 PolarHBondContact O-N 3.46Å; S285-S289 PolarHBondContact O-OG 3.23Å; A286-S289 PolarHBondContact O-N 3.43Å; I287-S289 PolarHBondContact O-N 3.16Å; S289-I292 PolarHBondContact O-N 2.91Å; S289-I293 VanDerWaalsContact O-CG1 3.29Å; S289-I293 WeakPolarHBondContact O-CG1 3.12Å; S289-I293 PolarHBondContact O-N 3.14Å
290	A	96.8	Very high	93.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-44.3	176.9	0	0	0	0	0	112.2	F170 I280 A286 I287 I293 C294 I335	F170-A290 HydrophobicContact CD1-CB 4.48Å; F170-A290 HydrophobicContact CE1-CB 3.6Å; F170-A290 HydrophobicContact CE2-CB 4.06Å; F170-A290 HydrophobicContact CZ-CB 3.35Å; I280-A290 HydrophobicContact CD1-CB 3.43Å; I280-A290 VanDerWaalsContact CD1-CB 3.43Å; A286-A290 WeakPolarHBondContact O-CB 3.35Å; A286-A290 PolarHBondContact O-N 2.69Å; I287-A290 PolarHBondContact O-N 2.95Å; A290-I293 PolarHBondContact O-N 3.31Å; A290-C294 PolarHBondContact O-N 2.92Å; A290-C294 PolarHBondContact O-SG 2.87Å; A290-C294 VanDerWaalsContact O-SG 3.32Å; A290-I335 HydrophobicContact CB-CD1 3.8Å; A290-I335 HydrophobicContact CB-CG2 4.01Å
291	K	95.4	Very high	93.3	Very high	33 Å²	33	52.6 Å²	52.6	14%	0.143	26%	0.26	C	S	.	.	H	α-helix	trans	-58.4	-49.6	174.4	-74.5	174.2	160.7	-168.6	0	112.4	E159 I169 F170 I287 Q288 I293 C294 D295	E159-K291 IonicContact OE1-NZ 3.47Å; E159-K291 PolarHBondContact OE1-NZ 2.85Å; E159-K291 IonicContact OE2-NZ 2.83Å; E159-K291 PolarHBondContact OE2-NZ 2.89Å; I169-K291 HydrophobicContact CD1-CD 4.42Å; I169-K291 VanDerWaalsContact CD1-CE 3.4Å; I169-K291 HydrophobicContact CD1-CG 4.25Å; F170-K291 HydrophobicContact CZ-CG 4.17Å; I287-K291 HydrophobicContact CG2-CD 4.32Å; I287-K291 WeakPolarHBondContact O-CG 3.44Å; I287-K291 PolarHBondContact O-N 3.13Å; Q288-K291 PolarHBondContact O-N 2.83Å; K291-I293 VanDerWaalsContact C-N 3.25Å; K291-I293 PolarHBondContact O-N 3.17Å; K291-C294 PolarHBondContact O-N 3.08Å; K291-D295 WeakPolarHBondContact O-CB 2.94Å; K291-D295 PolarHBondContact O-N 3.37Å
292	I	95.3	Very high	93	Very high	42 Å²	42	54.4 Å²	54.4	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-57.6	-40.8	177.9	-69.4	166.6	0	0	0	111.1	Q288 S289 Y296 T357 I359	Q288-I292 HydrophobicContact CG-CD1 4.1Å; Q288-I292 VanDerWaalsContact O-CG1 3.29Å; Q288-I292 WeakPolarHBondContact O-CG1 3.49Å; Q288-I292 PolarHBondContact O-N 3.05Å; S289-I292 PolarHBondContact O-N 2.91Å; I292-Y296 WeakPolarHBondContact O-CB 3.4Å; I292-Y296 PolarHBondContact O-N 2.79Å; I292-T357 HydrophobicContact CG2-CG2 4.13Å; I292-I359 HydrophobicContact CB-CG1 4.49Å; I292-I359 HydrophobicContact CG2-CG1 4.04Å
293	I	96.2	Very high	92.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67	-48.4	177.3	-70.5	167.4	0	0	0	110.8	I278 I280 S289 A290 K291 D295 Y296 L297 I337 I353 I359 I367	I278-I293 HydrophobicContact CD1-CG2 3.79Å; I278-I293 HydrophobicContact CG2-CD1 4.25Å; I280-I293 HydrophobicContact CD1-CD1 3.86Å; I280-I293 HydrophobicContact CG1-CD1 4.37Å; S289-I293 VanDerWaalsContact O-CG1 3.29Å; S289-I293 WeakPolarHBondContact O-CG1 3.12Å; S289-I293 PolarHBondContact O-N 3.14Å; A290-I293 PolarHBondContact O-N 3.31Å; K291-I293 VanDerWaalsContact C-N 3.25Å; K291-I293 PolarHBondContact O-N 3.17Å; I293-D295 VanDerWaalsContact C-N 3.29Å; I293-D295 PolarHBondContact O-N 2.66Å; I293-Y296 PolarHBondContact O-N 3.29Å; I293-Y296 VanDerWaalsContact O-N 3.17Å; I293-L297 HydrophobicContact CG2-CD1 3.64Å; I293-L297 HydrophobicContact CG2-CG 4.16Å; I293-L297 WeakPolarHBondContact O-CB 3.3Å; I293-L297 VanDerWaalsContact O-CG 3.25Å; I293-L297 WeakPolarHBondContact O-CG 3.14Å; I293-L297 PolarHBondContact O-N 3Å; I293-I337 HydrophobicContact CB-CD1 4.31Å; I293-I337 HydrophobicContact CG2-CD1 3.78Å; I293-I353 HydrophobicContact CD1-CG2 4.22Å; I293-I353 HydrophobicContact CG1-CG2 4.03Å; I293-I353 HydrophobicContact CG2-CD1 4.19Å; I293-I359 HydrophobicContact CD1-CD1 3.8Å; I293-I359 HydrophobicContact CG1-CD1 3.68Å; I293-I367 HydrophobicContact CD1-CD1 4.06Å; I293-I367 HydrophobicContact CD1-CG2 4.38Å
294	C	95.4	Very high	92.9	Very high	7 Å²	7	53.5 Å²	53.5	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-57.2	-43.4	176.8	-71.4	0	0	0	0	111.6	P248 A290 K291 Y296 L297 R298 I305	P248-C294 HydrophobicContact CB-CB 4.11Å; P248-C294 HydrophobicContact CG-CB 4.1Å; A290-C294 PolarHBondContact O-N 2.92Å; A290-C294 PolarHBondContact O-SG 2.87Å; A290-C294 VanDerWaalsContact O-SG 3.32Å; K291-C294 PolarHBondContact O-N 3.08Å; C294-Y296 PolarHBondContact O-N 2.88Å; C294-L297 PolarHBondContact O-N 3.35Å; C294-R298 VanDerWaalsContact O-CB 3.24Å; C294-R298 WeakPolarHBondContact O-CB 3.46Å; C294-R298 PolarHBondContact O-N 3.16Å; C294-I305 HydrophobicContact CB-CD1 4.27Å
295	D	93.5	Very high	93	Very high	67 Å²	67	44.2 Å²	44.2	36%	0.358	23%	0.227	S	C	.	.	H	α-helix	trans	-62.9	-40.3	176.5	-76.8	-26.6	0	0	0	112.8	K291 I293 K299	K291-D295 WeakPolarHBondContact O-CB 2.94Å; K291-D295 PolarHBondContact O-N 3.37Å; I293-D295 VanDerWaalsContact C-N 3.29Å; I293-D295 PolarHBondContact O-N 2.66Å; D295-K299 WeakPolarHBondContact O-CD 3.45Å; D295-K299 VanDerWaalsContact O-CG 3.32Å; D295-K299 WeakPolarHBondContact O-CG 3.3Å; D295-K299 PolarHBondContact O-N 3.11Å
296	Y	94.1	Very high	93	Very high	36 Å²	36	41.8 Å²	41.8	14%	0.141	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-48.8	175.3	173	-98.3	0	0	0	111.7	I292 I293 C294 R298 K299 T300 E352 I353 K356 T357	I292-Y296 WeakPolarHBondContact O-CB 3.4Å; I292-Y296 PolarHBondContact O-N 2.79Å; I293-Y296 PolarHBondContact O-N 3.29Å; I293-Y296 VanDerWaalsContact O-N 3.17Å; C294-Y296 PolarHBondContact O-N 2.88Å; Y296-R298 VanDerWaalsContact C-N 3.34Å; Y296-R298 PolarHBondContact O-N 2.98Å; Y296-K299 PolarHBondContact O-N 3.38Å; Y296-T300 PolarHBondContact O-N 3.32Å; Y296-T300 PolarHBondContact O-OG1 2.99Å; Y296-E352 HydrophobicContact CE1-CB 4.44Å; Y296-E352 WeakPolarHBondContact OH-CB 3.3Å; Y296-E352 VanDerWaalsContact OH-CD 3.31Å; Y296-E352 PolarHBondContact OH-OE2 3.3Å; Y296-I353 HydrophobicContact CD1-CG1 4.17Å; Y296-I353 HydrophobicContact CE1-CG1 4.24Å; Y296-K356 HydrophobicContact CD2-CB 4.45Å; Y296-K356 HydrophobicContact CE2-CB 3.84Å; Y296-K356 HydrophobicContact CE2-CD 3.89Å; Y296-K356 WeakPolarHBondContact OH-CD 3.34Å; Y296-T357 HydrophobicContact CD2-CG2 4.34Å; Y296-T357 HydrophobicContact CG-CG2 4.03Å
297	L	94.2	Very high	93	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-42.4	-179.4	-69.1	169.4	0	0	0	111.5	I278 I293 C294 K299 T300 I305 I337 I339 L349	I278-L297 HydrophobicContact CD1-CD1 3.83Å; I278-L297 HydrophobicContact CD1-CD2 4.45Å; I293-L297 HydrophobicContact CG2-CD1 3.64Å; I293-L297 HydrophobicContact CG2-CG 4.16Å; I293-L297 WeakPolarHBondContact O-CB 3.3Å; I293-L297 VanDerWaalsContact O-CG 3.25Å; I293-L297 WeakPolarHBondContact O-CG 3.14Å; I293-L297 PolarHBondContact O-N 3Å; C294-L297 PolarHBondContact O-N 3.35Å; L297-K299 VanDerWaalsContact C-N 3.26Å; L297-K299 PolarHBondContact O-N 3.16Å; L297-T300 WeakPolarHBondContact O-CB 3.4Å; L297-T300 PolarHBondContact O-N 2.89Å; L297-I305 HydrophobicContact CB-CD1 4.05Å; L297-I305 HydrophobicContact CB-CG1 4.06Å; L297-I305 HydrophobicContact CD1-CD1 4.19Å; L297-I305 HydrophobicContact CD1-CG1 4.04Å; L297-I337 HydrophobicContact CD1-CG2 4.02Å; L297-I339 HydrophobicContact CD1-CG2 3.82Å; L297-I339 HydrophobicContact CD2-CD1 4.38Å; L297-I339 HydrophobicContact CD2-CG2 4.37Å; L297-L349 HydrophobicContact CD2-CD1 3.92Å
298	R	90.4	Very high	93	Very high	74 Å²	74	38.1 Å²	38.1	28%	0.279	19%	0.189	S	C	.	.	H	α-helix	trans	-59.5	-36.1	177.1	-175.3	-178.5	64.6	78.6	-9.8	112.7	D243 C294 Y296 T300	D243-R298 IonicContact OD1-CZ 2.69Å; D243-R298 IonicContact OD1-NH1 3.86Å; D243-R298 PolarHBondContact OD1-NH1 2.92Å; D243-R298 IonicContact OD1-NH2 3.41Å; D243-R298 PolarHBondContact OD1-NH2 3.08Å; C294-R298 VanDerWaalsContact O-CB 3.24Å; C294-R298 WeakPolarHBondContact O-CB 3.46Å; C294-R298 PolarHBondContact O-N 3.16Å; Y296-R298 VanDerWaalsContact C-N 3.34Å; Y296-R298 PolarHBondContact O-N 2.98Å; R298-T300 VanDerWaalsContact C-N 3.26Å
299	K	90.1	Very high	93	Very high	139 Å²	139	34.1 Å²	34.1	60%	0.604	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-7.6	176.8	-68	168.4	-174.8	169.2	0	113	D295 Y296 L297	D295-K299 WeakPolarHBondContact O-CD 3.45Å; D295-K299 VanDerWaalsContact O-CG 3.32Å; D295-K299 WeakPolarHBondContact O-CG 3.3Å; D295-K299 PolarHBondContact O-N 3.11Å; Y296-K299 PolarHBondContact O-N 3.38Å; L297-K299 VanDerWaalsContact C-N 3.26Å; L297-K299 PolarHBondContact O-N 3.16Å
300	T	88.7	Confident	92.9	Very high	21 Å²	21	34.7 Å²	34.7	13%	0.129	18%	0.177	C	C	.	.			trans	-97.9	102	-177.5	-58.1	0	0	0	0	110	Y296 L297 R298 S302 C303	Y296-T300 PolarHBondContact O-N 3.32Å; Y296-T300 PolarHBondContact O-OG1 2.99Å; L297-T300 WeakPolarHBondContact O-CB 3.4Å; L297-T300 PolarHBondContact O-N 2.89Å; R298-T300 VanDerWaalsContact C-N 3.26Å; T300-S302 WeakPolarHBondContact CG2-OG 3.37Å; T300-S302 PolarHBondContact O-N 3.21Å; T300-C303 PolarHBondContact O-N 3.24Å
301	N	83.2	Confident	92.7	Very high	148 Å²	148	36 Å²	36	79%	0.791	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-9.3	-174.4	-64.8	-4.3	0	0	0	115.3
302	S	87.7	Confident	92.5	Very high	40 Å²	40	40.8 Å²	40.8	28%	0.28	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	2.1	-175.7	57.8	0	0	0	0	114.4	T300 G341 T342 T345	T300-S302 WeakPolarHBondContact CG2-OG 3.37Å; T300-S302 PolarHBondContact O-N 3.21Å; S302-G341 WeakPolarHBondContact O-CA 3.42Å; S302-T342 PolarHBondContact O-N 3.11Å; S302-T345 WeakPolarHBondContact CB-OG1 3.3Å; S302-T345 WeakPolarHBondContact OG-CG2 3.43Å; S302-T345 PolarHBondContact OG-OG1 2.76Å
303	C	91.5	Very high	92.3	Very high	6 Å²	6	39.3 Å²	39.3	4%	0.041	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	167.1	171.6	62.4	0	0	0	0	110.9	T300 T340 T345 L346	T300-C303 PolarHBondContact O-N 3.24Å; C303-T340 CarbonylContact C-O 3.56Å; C303-T340 VanDerWaalsContact CA-O 3.25Å; C303-T340 WeakPolarHBondContact CA-O 3.3Å; C303-T340 WeakPolarHBondContact CB-O 3.37Å; C303-T345 HydrophobicContact CB-CG2 4.32Å; C303-L346 HydrophobicContact CB-CD2 4.39Å
304	T	91.6	Very high	92	Very high	39 Å²	39	41.6 Å²	41.6	24%	0.239	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	142.1	177	-58.8	0	0	0	0	109.4	I251 V306 I339 T340	I251-T304 HydrophobicContact CB-CG2 4.09Å; I251-T304 HydrophobicContact CG2-CG2 4Å; T304-V306 PolarHBondContact O-N 3.44Å; T304-I339 VanDerWaalsContact O-CA 3.28Å; T304-I339 WeakPolarHBondContact O-CA 3.48Å; T304-T340 PolarHBondContact N-O 3.27Å; T304-T340 PolarHBondContact O-N 3.27Å
305	I	94.7	Very high	91.6	Very high	10 Å²	10	46 Å²	46	5%	0.051	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	116.8	174.6	-58	171.2	0	0	0	108.3	T250 I251 C294 L297 T308 I337 I339	T250-I305 WeakPolarHBondContact CA-O 3.3Å; T250-I305 HydrophobicContact CG2-CG2 3.99Å; I251-I305 PolarHBondContact N-O 3.24Å; C294-I305 HydrophobicContact CB-CD1 4.27Å; L297-I305 HydrophobicContact CB-CD1 4.05Å; L297-I305 HydrophobicContact CB-CG1 4.06Å; L297-I305 HydrophobicContact CD1-CD1 4.19Å; L297-I305 HydrophobicContact CD1-CG1 4.04Å; I305-T308 HydrophobicContact CG2-CG2 3.92Å; I305-I337 HydrophobicContact CG1-CG2 4.3Å; I305-I337 HydrophobicContact CG2-CG2 3.87Å; I305-I339 HydrophobicContact CG1-CG2 4.2Å
306	V	93.7	Very high	91.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-52.2	176.7	-177.6	0	0	0	0	109.9	T250 G252 N253 L256 T304 E338 T340	T250-V306 WeakPolarHBondContact CB-O 3.44Å; G252-V306 VanDerWaalsContact CA-O 3.3Å; G252-V306 WeakPolarHBondContact CA-O 3.34Å; G252-V306 PolarHBondContact N-O 2.8Å; N253-V306 HydrophobicContact CB-CG1 4.21Å; L256-V306 HydrophobicContact CD2-CG1 4.27Å; L256-V306 HydrophobicContact CD2-CG2 3.93Å; T304-V306 PolarHBondContact O-N 3.44Å; V306-E338 HydrophobicContact CB-CB 4.18Å; V306-E338 HydrophobicContact CB-CG 3.9Å; V306-E338 HydrophobicContact CG1-CG 4.46Å; V306-E338 HydrophobicContact CG2-CG 4.21Å; V306-E338 PolarHBondContact N-O 2.81Å; V306-T340 HydrophobicContact CG2-CG2 3.55Å
307	Q	94.1	Very high	91	Very high	25 Å²	25	48.4 Å²	48.4	12%	0.117	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	155.7	-179.9	55.5	172.7	-1.6	0	0	110.7	Y175 E338	Y175-Q307 PolarHBondContact OH-OE1 2.98Å; Q307-E338 HydrophobicContact CG-CB 3.65Å; Q307-E338 HydrophobicContact CG-CG 4.45Å; Q307-E338 WeakPolarHBondContact CG-OE2 3.37Å; Q307-E338 PolarHBondContact N-O 2.87Å; Q307-E338 PolarHBondContact NE2-OE2 2.9Å; Q307-E338 PolarHBondContact O-N 3.24Å
308	T	95.6	Very high	90.7	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150.4	168	49.8	0	0	0	0	108.3	F170 P248 T250 I305 T336 I337	F170-T308 CarbonylContact O-C 3.56Å; F170-T308 WeakPolarHBondContact O-CB 3.47Å; F170-T308 PolarHBondContact O-OG1 2.89Å; P248-T308 HydrophobicContact CB-CG2 4.1Å; P248-T308 HydrophobicContact CG-CG2 4.33Å; T250-T308 HydrophobicContact CG2-CG2 4.26Å; I305-T308 HydrophobicContact CG2-CG2 3.92Å; T308-T336 CarbonylContact C-O 3.58Å; T308-T336 WeakPolarHBondContact CA-O 3.4Å; T308-I337 HydrophobicContact CG2-CG1 4.23Å; T308-I337 HydrophobicContact CG2-CG2 4.17Å
309	S	94.8	Very high	90.6	Very high	23 Å²	23	48.7 Å²	48.7	16%	0.161	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	153.6	168.9	70.2	0	0	0	0	111	F170 N171 I335 T336	F170-S309 WeakPolarHBondContact O-CA 3.14Å; F170-S309 PolarHBondContact O-N 3.02Å; F170-S309 VanDerWaalsContact O-N 3.1Å; N171-S309 WeakPolarHBondContact OD1-CA 3.29Å; S309-I335 CarbonylContact O-C 3.53Å; S309-I335 VanDerWaalsContact O-CA 3.28Å; S309-I335 WeakPolarHBondContact O-CA 3.48Å; S309-T336 PolarHBondContact N-O 2.93Å; S309-T336 PolarHBondContact O-N 3.25Å; S309-T336 PolarHBondContact OG-OG1 2.93Å
310	C	94.7	Very high	90.5	Very high	15 Å²	15	47.5 Å²	47.5	10%	0.101	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	116.7	173.5	-179.7	0	0	0	0	107.6	S168 F170 N171 V334 I335	S168-C310 VanDerWaalsContact OG-CB 3.27Å; S168-C310 WeakPolarHBondContact OG-CB 3.28Å; F170-C310 HydrophobicContact CB-CB 3.96Å; F170-C310 HydrophobicContact CD2-CB 4.46Å; N171-C310 PolarHBondContact ND2-O 3.37Å; N171-C310 PolarHBondContact OD1-N 3.1Å; N171-C310 PolarHBondContact OD1-O 2.89Å; C310-V334 WeakPolarHBondContact CA-O 3.28Å; C310-I335 HydrophobicContact CB-CG1 4.12Å
311	S	92.5	Very high	90.5	Very high	28 Å²	28	46.7 Å²	46.7	20%	0.196	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	151.6	-178	-68.1	0	0	0	0	110.2	F313 N333 V334	S311-F313 WeakPolarHBondContact O-CD2 3.26Å; S311-F313 WeakPolarHBondContact O-CE2 3.29Å; S311-N333 CarbonylContact O-C 3.56Å; S311-N333 WeakPolarHBondContact O-CA 3.27Å; S311-V334 PolarHBondContact N-O 2.86Å; S311-V334 PolarHBondContact O-N 3.32Å
312	Q	91.4	Very high	90.8	Very high	134 Å²	134	39.6 Å²	39.6	63%	0.626	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.5	176.4	-173.1	173.8	-6.3	0	0	109.6	G332	Q312-G332 WeakPolarHBondContact CA-O 3.28Å
313	F	90.5	Very high	90.6	Very high	10 Å²	10	44 Å²	44	4%	0.044	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.7	174.8	-64.9	-93.2	0	0	0	110.6	S311 E317 I318 I321 S331 G332 V334 L383 L386	S311-F313 WeakPolarHBondContact O-CD2 3.26Å; S311-F313 WeakPolarHBondContact O-CE2 3.29Å; F313-E317 HydrophobicContact CB-CB 4.36Å; F313-E317 HydrophobicContact CD1-CB 3.99Å; F313-I318 HydrophobicContact CB-CD1 4.25Å; F313-I318 HydrophobicContact CB-CG1 3.76Å; F313-I321 HydrophobicContact CD1-CD1 3.78Å; F313-I321 HydrophobicContact CE1-CD1 3.57Å; F313-S331 VanDerWaalsContact O-CA 3.31Å; F313-S331 WeakPolarHBondContact O-CA 3.48Å; F313-S331 WeakPolarHBondContact O-CB 3.48Å; F313-G332 PolarHBondContact N-O 3.39Å; F313-G332 PolarHBondContact O-N 3.31Å; F313-V334 HydrophobicContact CB-CG2 4.18Å; F313-V334 HydrophobicContact CD2-CB 3.52Å; F313-V334 HydrophobicContact CD2-CG2 3.54Å; F313-V334 HydrophobicContact CE2-CB 3.79Å; F313-V334 HydrophobicContact CE2-CG2 4.29Å; F313-V334 HydrophobicContact CG-CG2 4.16Å; F313-L383 HydrophobicContact CE1-CD2 3.99Å; F313-L383 HydrophobicContact CZ-CD2 3.56Å; F313-L386 HydrophobicContact CE1-CD1 4.17Å
314	S	89.3	Confident	90.1	Very high	49 Å²	49	44.7 Å²	44.7	34%	0.343	22%	0.224	S	C	.	.			trans	-72.6	161.8	164.9	67.3	0	0	0	0	111.3	H316 E317 I318	S314-H316 PolarHBondContact O-N 3.47Å; S314-E317 VanDerWaalsContact CB-OE2 3.29Å; S314-E317 WeakPolarHBondContact CB-OE2 3.34Å; S314-E317 PolarHBondContact N-OE2 2.8Å; S314-E317 PolarHBondContact O-N 2.79Å; S314-E317 VanDerWaalsContact OG-CD 3.25Å; S314-E317 WeakPolarHBondContact OG-CG 3.33Å; S314-E317 PolarHBondContact OG-N 2.97Å; S314-E317 PolarHBondContact OG-OE2 2.89Å; S314-I318 WeakPolarHBondContact O-CG1 3.12Å; S314-I318 PolarHBondContact O-N 2.85Å
315	E	86.5	Confident	89.3	Confident	98 Å²	98	47 Å²	47	46%	0.458	24%	0.235	S	C	.	.	H	α-helix	trans	-56.8	-38.7	175.3	-70.6	179.1	-173.1	0	0	112	I318 E319	E315-I318 PolarHBondContact O-N 2.81Å; E315-E319 WeakPolarHBondContact O-CG 3.28Å; E315-E319 PolarHBondContact O-N 2.96Å; E315-E319 VanDerWaalsContact O-N 3.1Å
316	H	86.9	Confident	87.9	Confident	112 Å²	112	47.1 Å²	47.1	52%	0.519	24%	0.237	S	C	.	.	H	α-helix	trans	-65.5	-44.4	179.3	-174.5	60.4	0	0	0	112.6	S314 I318 E319 Q320	S314-H316 PolarHBondContact O-N 3.47Å; H316-I318 VanDerWaalsContact C-N 3.31Å; H316-I318 PolarHBondContact O-N 2.84Å; H316-E319 PolarHBondContact O-N 3.19Å; H316-Q320 PolarHBondContact CE1-NE2 3.1Å; H316-Q320 PolarHBondContact NE2-NE2 3.33Å; H316-Q320 WeakPolarHBondContact O-CG 3.44Å; H316-Q320 PolarHBondContact O-N 2.84Å
317	E	89.1	Confident	86.8	Confident	43 Å²	43	56 Å²	56	20%	0.201	28%	0.275	C	S	.	.	H	α-helix	trans	-64.9	-38.8	176.7	-70	159.3	143.8	0	0	111	F313 S314 E319 Q320 I321 H390	F313-E317 HydrophobicContact CB-CB 4.36Å; F313-E317 HydrophobicContact CD1-CB 3.99Å; S314-E317 VanDerWaalsContact CB-OE2 3.29Å; S314-E317 WeakPolarHBondContact CB-OE2 3.34Å; S314-E317 PolarHBondContact N-OE2 2.8Å; S314-E317 PolarHBondContact O-N 2.79Å; S314-E317 VanDerWaalsContact OG-CD 3.25Å; S314-E317 WeakPolarHBondContact OG-CG 3.33Å; S314-E317 PolarHBondContact OG-N 2.97Å; S314-E317 PolarHBondContact OG-OE2 2.89Å; E317-E319 PolarHBondContact O-N 2.84Å; E317-Q320 PolarHBondContact O-N 2.81Å; E317-I321 HydrophobicContact CB-CD1 4.17Å; E317-I321 WeakPolarHBondContact O-CB 3.14Å; E317-I321 WeakPolarHBondContact O-CD1 3.26Å; E317-I321 WeakPolarHBondContact O-CG1 3.39Å; E317-I321 PolarHBondContact O-N 3.14Å; E317-H390 IonicContact OE1-NE2 3.98Å
318	I	88.9	Confident	85.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.3	-47.2	175.9	-72.2	171.4	0	0	0	111	F281 F313 S314 E315 H316 F322 C324 F329 V334	F281-I318 HydrophobicContact CD1-CG2 4.37Å; F281-I318 HydrophobicContact CE1-CG2 4Å; F313-I318 HydrophobicContact CB-CD1 4.25Å; F313-I318 HydrophobicContact CB-CG1 3.76Å; S314-I318 WeakPolarHBondContact O-CG1 3.12Å; S314-I318 PolarHBondContact O-N 2.85Å; E315-I318 PolarHBondContact O-N 2.81Å; H316-I318 VanDerWaalsContact C-N 3.31Å; H316-I318 PolarHBondContact O-N 2.84Å; I318-F322 HydrophobicContact CG2-CD2 4.41Å; I318-F322 WeakPolarHBondContact O-CB 3.44Å; I318-F322 PolarHBondContact O-N 3.35Å; I318-C324 WeakPolarHBondContact CG2-SG 3.4Å; I318-F329 HydrophobicContact CG2-CB 4.12Å; I318-V334 HydrophobicContact CD1-CG2 4.25Å; I318-V334 HydrophobicContact CG1-CG2 4.28Å
319	E	87.7	Confident	85	Confident	82 Å²	82	59.3 Å²	59.3	38%	0.383	30%	0.295	S	S	.	.	H	α-helix	trans	-63.2	-44.8	177.7	-67.3	-176	155.4	0	0	112.3	E315 H316 E317 K323 S326	E315-E319 WeakPolarHBondContact O-CG 3.28Å; E315-E319 PolarHBondContact O-N 2.96Å; E315-E319 VanDerWaalsContact O-N 3.1Å; H316-E319 PolarHBondContact O-N 3.19Å; E317-E319 PolarHBondContact O-N 2.84Å; E319-K323 WeakPolarHBondContact O-CA 3.34Å; E319-K323 PolarHBondContact O-N 3.12Å; E319-S326 WeakPolarHBondContact OE1-CB 3.41Å; E319-S326 PolarHBondContact OE1-OG 3.45Å
320	Q	88.3	Confident	84.3	Confident	113 Å²	113	67.5 Å²	67.5	53%	0.528	32%	0.322	S	S	.	.	H	α-helix	trans	-68.3	-42.2	-176.5	-74.1	-170.5	-14.5	0	0	112.9	H316 E317 R378	H316-Q320 PolarHBondContact CE1-NE2 3.1Å; H316-Q320 PolarHBondContact NE2-NE2 3.33Å; H316-Q320 WeakPolarHBondContact O-CG 3.44Å; H316-Q320 PolarHBondContact O-N 2.84Å; E317-Q320 PolarHBondContact O-N 2.81Å; Q320-R378 PolarHBondContact O-NH1 2.96Å
321	I	87.8	Confident	83.8	Confident	4 Å²	4	70 Å²	70	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-80.8	-52.6	-175.4	-59	162.8	0	0	0	109.7	F313 E317 R378 L382 L383 L386	F313-I321 HydrophobicContact CD1-CD1 3.78Å; F313-I321 HydrophobicContact CE1-CD1 3.57Å; E317-I321 HydrophobicContact CB-CD1 4.17Å; E317-I321 WeakPolarHBondContact O-CB 3.14Å; E317-I321 WeakPolarHBondContact O-CD1 3.26Å; E317-I321 WeakPolarHBondContact O-CG1 3.39Å; E317-I321 PolarHBondContact O-N 3.14Å; I321-R378 PolarHBondContact O-NH2 3.47Å; I321-L382 HydrophobicContact CG1-CB 4.42Å; I321-L382 HydrophobicContact CG2-CB 4.4Å; I321-L383 HydrophobicContact CG2-CD2 4.25Å; I321-L383 HydrophobicContact CG2-CG 4.28Å; I321-L386 HydrophobicContact CD1-CD1 3.19Å; I321-L386 HydrophobicContact CG1-CD1 3.98Å
322	F	88.8	Confident	83.7	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-97.6	-5.4	-168.5	-54.6	-74.5	0	0	0	114	T279 F281 I318 C324 V334 T336 Q368 R379 L383	T279-F322 HydrophobicContact CG2-CD1 3.67Å; T279-F322 HydrophobicContact CG2-CE1 3.39Å; T279-F322 HydrophobicContact CG2-CE2 4.41Å; T279-F322 HydrophobicContact CG2-CG 4.29Å; T279-F322 HydrophobicContact CG2-CZ 3.79Å; T279-F322 WeakPolarHBondContact OG1-CE1 3.37Å; F281-F322 HydrophobicContact CE1-CB 4.06Å; F281-F322 AromaticContact CE1-CD2 3.71Å; F281-F322 HydrophobicContact CE1-CD2 3.71Å; F281-F322 HydrophobicContact CE1-CE2 4.27Å; F281-F322 AromaticContact CE1-CG 3.84Å; F281-F322 HydrophobicContact CE1-CG 3.84Å; F281-F322 HydrophobicContact CZ-CB 3.77Å; F281-F322 HydrophobicContact CZ-CD1 4.35Å; F281-F322 HydrophobicContact CZ-CD2 4.22Å; F281-F322 AromaticContact CZ-CG 3.87Å; F281-F322 HydrophobicContact CZ-CG 3.87Å; I318-F322 HydrophobicContact CG2-CD2 4.41Å; I318-F322 WeakPolarHBondContact O-CB 3.44Å; I318-F322 PolarHBondContact O-N 3.35Å; F322-C324 PolarHBondContact O-N 3.34Å; F322-V334 HydrophobicContact CE2-CG1 4.14Å; F322-V334 HydrophobicContact CZ-CG1 3.9Å; F322-T336 HydrophobicContact CE1-CG2 4.33Å; F322-T336 HydrophobicContact CZ-CG2 4.2Å; F322-Q368 PolarHBondContact O-NE2 3.2Å; F322-R379 PolarHBondContact O-NH2 3.13Å; F322-L383 HydrophobicContact CZ-CD2 3.97Å
323	K	85.3	Confident	83.8	Confident	133 Å²	133	67.3 Å²	67.3	58%	0.578	33%	0.331	S	S	*	.			trans	52	37.2	-179.8	-63.2	175.9	177.1	163.9	0	112.4	E319 E375	E319-K323 WeakPolarHBondContact O-CA 3.34Å; E319-K323 PolarHBondContact O-N 3.12Å; K323-E375 IonicContact NZ-OE1 3.79Å; K323-E375 IonicContact NZ-OE2 2.84Å; K323-E375 PolarHBondContact NZ-OE2 2.99Å
324	C	81	Confident	84	Confident	20 Å²	20	66.9 Å²	66.9	14%	0.135	33%	0.329	C	S	.	.			trans	-111.1	161.5	-179.5	62.3	0	0	0	0	111	I318 F322 S326 F329	I318-C324 WeakPolarHBondContact CG2-SG 3.4Å; F322-C324 PolarHBondContact O-N 3.34Å; C324-S326 PolarHBondContact O-N 3.09Å; C324-F329 HydrophobicContact CB-CD2 3.77Å; C324-F329 HydrophobicContact CB-CE2 3.69Å; C324-F329 VanDerWaalsContact SG-CD2 3.51Å
325	N	73.6	Confident	84.3	Confident	88 Å²	88	64.7 Å²	64.7	47%	0.471	31%	0.314	S	S	.	.			trans	-74.6	108.3	-179.6	-174.7	-8.5	0	0	0	110.1	K327 V328 F329	N325-K327 PolarHBondContact O-N 2.94Å; N325-K327 VanDerWaalsContact O-N 3.09Å; N325-K327 VanDerWaalsContact OD1-CB 3.29Å; N325-K327 WeakPolarHBondContact OD1-CB 3.26Å; N325-K327 WeakPolarHBondContact OD1-CG 3.38Å; N325-K327 PolarHBondContact OD1-N 3.04Å; N325-K327 VanDerWaalsContact OD1-N 3.1Å; N325-V328 HydrophobicContact CB-CG2 4.3Å; N325-V328 PolarHBondContact O-N 2.73Å; N325-F329 PolarHBondContact O-N 2.82Å
326	S	66.4	Low	84.8	Confident	12 Å²	12	60.4 Å²	60.4	8%	0.084	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.3	178.1	57	0	0	0	0	113.7	E319 C324 V328 F329	E319-S326 WeakPolarHBondContact OE1-CB 3.41Å; E319-S326 PolarHBondContact OE1-OG 3.45Å; C324-S326 PolarHBondContact O-N 3.09Å; S326-V328 PolarHBondContact O-N 2.96Å; S326-V328 VanDerWaalsContact O-N 3.1Å; S326-F329 CarbonylContact O-C 3.28Å; S326-F329 VanDerWaalsContact O-C 3.28Å; S326-F329 PolarHBondContact O-N 3.33Å; S326-F329 VanDerWaalsContact O-N 3.14Å
327	K	69.1	Low	85.3	Confident	187 Å²	187	55.1 Å²	55.1	81%	0.813	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.6	178.2	-61.8	-176	177.9	179.9	0	112.7	N325	N325-K327 PolarHBondContact O-N 2.94Å; N325-K327 VanDerWaalsContact O-N 3.09Å; N325-K327 VanDerWaalsContact OD1-CB 3.29Å; N325-K327 WeakPolarHBondContact OD1-CB 3.26Å; N325-K327 WeakPolarHBondContact OD1-CG 3.38Å; N325-K327 PolarHBondContact OD1-N 3.04Å; N325-K327 VanDerWaalsContact OD1-N 3.1Å
328	V	74.4	Confident	85.6	Confident	71 Å²	71	53.6 Å²	53.6	43%	0.43	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-40.3	175.3	-175.9	0	0	0	0	110.6	N325 S326	N325-V328 HydrophobicContact CB-CG2 4.3Å; N325-V328 PolarHBondContact O-N 2.73Å; S326-V328 PolarHBondContact O-N 2.96Å; S326-V328 VanDerWaalsContact O-N 3.1Å
329	F	78.8	Confident	85.9	Confident	24 Å²	24	53.6 Å²	53.6	11%	0.105	26%	0.263	C	S	.	.	S	Bend	trans	-105.5	100.8	-174.9	-55.3	-61	0	0	0	110.8	F281 I318 C324 N325 S326 Y366	F281-F329 HydrophobicContact CB-CB 4.35Å; F281-F329 HydrophobicContact CB-CD1 3.43Å; F281-F329 VanDerWaalsContact CB-CD1 3.43Å; F281-F329 HydrophobicContact CB-CE1 4.03Å; F281-F329 HydrophobicContact CB-CG 4.08Å; F281-F329 HydrophobicContact CD1-CB 4.11Å; F281-F329 HydrophobicContact CD1-CD1 4.21Å; F281-F329 HydrophobicContact CD1-CG 4.04Å; F281-F329 AromaticContact CD2-CD1 3.66Å; F281-F329 HydrophobicContact CD2-CD1 3.66Å; F281-F329 HydrophobicContact CD2-CD2 4.4Å; F281-F329 AromaticContact CD2-CE1 3.61Å; F281-F329 HydrophobicContact CD2-CE1 3.61Å; F281-F329 HydrophobicContact CD2-CE2 4.34Å; F281-F329 HydrophobicContact CD2-CG 4.07Å; F281-F329 AromaticContact CD2-CZ 3.94Å; F281-F329 HydrophobicContact CD2-CZ 3.94Å; F281-F329 HydrophobicContact CE2-CD1 4.48Å; F281-F329 HydrophobicContact CE2-CD2 4.48Å; F281-F329 HydrophobicContact CE2-CE1 4.33Å; F281-F329 HydrophobicContact CE2-CE2 4.3Å; F281-F329 HydrophobicContact CE2-CZ 4.21Å; F281-F329 HydrophobicContact CG-CB 4.24Å; F281-F329 AromaticContact CG-CD1 3.5Å; F281-F329 HydrophobicContact CG-CD1 3.5Å; F281-F329 HydrophobicContact CG-CD2 4.47Å; F281-F329 AromaticContact CG-CE1 3.96Å; F281-F329 HydrophobicContact CG-CE1 3.96Å; F281-F329 AromaticContact CG-CG 3.79Å; F281-F329 HydrophobicContact CG-CG 3.79Å; I318-F329 HydrophobicContact CG2-CB 4.12Å; C324-F329 HydrophobicContact CB-CD2 3.77Å; C324-F329 HydrophobicContact CB-CE2 3.69Å; C324-F329 VanDerWaalsContact SG-CD2 3.51Å; N325-F329 PolarHBondContact O-N 2.82Å; S326-F329 CarbonylContact O-C 3.28Å; S326-F329 VanDerWaalsContact O-C 3.28Å; S326-F329 PolarHBondContact O-N 3.33Å; S326-F329 VanDerWaalsContact O-N 3.14Å; F329-Y366 AromaticContact CD1-CD1 3.86Å; F329-Y366 HydrophobicContact CD1-CD1 3.86Å; F329-Y366 HydrophobicContact CD1-CE1 4.34Å; F329-Y366 AromaticContact CE1-CD1 3.88Å; F329-Y366 HydrophobicContact CE1-CD1 3.88Å; F329-Y366 HydrophobicContact CE1-CE1 4.47Å; F329-Y366 HydrophobicContact CE1-CG 4.41Å
330	R	79.5	Confident	86.1	Confident	195 Å²	195	49.9 Å²	49.9	74%	0.736	25%	0.245	S	C	*	.			trans	-64.2	156.9	178.9	-60.7	-178.8	-177.9	177	1	111.4	P282	P282-R330 WeakPolarHBondContact CG-O 3.47Å
331	S	85.1	Confident	86.3	Confident	66 Å²	66	44.5 Å²	44.5	46%	0.462	22%	0.22	S	C	.	.	S	Bend	trans	-55	142.1	167	64.1	0	0	0	0	111.3	F313	F313-S331 VanDerWaalsContact O-CA 3.31Å; F313-S331 WeakPolarHBondContact O-CA 3.48Å; F313-S331 WeakPolarHBondContact O-CB 3.48Å
332	G	89.3	Confident	86.4	Confident	14 Å²	14	46.1 Å²	46.1	14%	0.144	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.2	-165.9	177.9	0	0	0	0	0	112.4	Q312 F313 V334	Q312-G332 WeakPolarHBondContact CA-O 3.28Å; F313-G332 PolarHBondContact N-O 3.39Å; F313-G332 PolarHBondContact O-N 3.31Å; G332-V334 PolarHBondContact O-N 3.46Å
333	N	92.8	Very high	86.4	Confident	93 Å²	93	47.9 Å²	47.9	50%	0.497	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	113.5	-179.3	-69.2	-13.1	0	0	0	110.9	P282 S311	P282-N333 WeakPolarHBondContact CG-O 3.5Å; S311-N333 CarbonylContact O-C 3.56Å; S311-N333 WeakPolarHBondContact O-CA 3.27Å
334	V	94.6	Very high	86.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.3	170.3	-178.9	0	0	0	0	107.6	T279 F281 P282 C310 S311 F313 I318 F322 G332 T336	T279-V334 HydrophobicContact CG2-CG1 3.48Å; T279-V334 VanDerWaalsContact CG2-CG1 3.48Å; F281-V334 HydrophobicContact CD1-CG1 4.4Å; F281-V334 HydrophobicContact CD1-CG2 4.23Å; P282-V334 HydrophobicContact CG-CG2 4.48Å; C310-V334 WeakPolarHBondContact CA-O 3.28Å; S311-V334 PolarHBondContact N-O 2.86Å; S311-V334 PolarHBondContact O-N 3.32Å; F313-V334 HydrophobicContact CB-CG2 4.18Å; F313-V334 HydrophobicContact CD2-CB 3.52Å; F313-V334 HydrophobicContact CD2-CG2 3.54Å; F313-V334 HydrophobicContact CE2-CB 3.79Å; F313-V334 HydrophobicContact CE2-CG2 4.29Å; F313-V334 HydrophobicContact CG-CG2 4.16Å; I318-V334 HydrophobicContact CD1-CG2 4.25Å; I318-V334 HydrophobicContact CG1-CG2 4.28Å; F322-V334 HydrophobicContact CE2-CG1 4.14Å; F322-V334 HydrophobicContact CZ-CG1 3.9Å; G332-V334 PolarHBondContact O-N 3.46Å; V334-T336 HydrophobicContact CG1-CG2 4.11Å
335	I	96.4	Very high	87	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.3	173.4	-58.6	162.4	0	0	0	107.7	F170 I280 I287 A290 S309 C310 I337	F170-I335 HydrophobicContact CB-CG2 4.31Å; F170-I335 HydrophobicContact CD1-CG2 4.11Å; F170-I335 HydrophobicContact CD2-CD1 3.86Å; F170-I335 HydrophobicContact CD2-CG1 4.11Å; F170-I335 HydrophobicContact CD2-CG2 4.17Å; F170-I335 HydrophobicContact CE2-CD1 3.66Å; F170-I335 HydrophobicContact CE2-CG1 4.42Å; F170-I335 HydrophobicContact CG-CG2 3.93Å; F170-I335 HydrophobicContact CZ-CD1 4.33Å; I280-I335 HydrophobicContact CB-CB 4.27Å; I280-I335 PolarHBondContact N-O 2.81Å; I280-I335 PolarHBondContact O-N 2.88Å; I287-I335 HydrophobicContact CG1-CD1 4.35Å; A290-I335 HydrophobicContact CB-CD1 3.8Å; A290-I335 HydrophobicContact CB-CG2 4.01Å; S309-I335 CarbonylContact O-C 3.53Å; S309-I335 VanDerWaalsContact O-CA 3.28Å; S309-I335 WeakPolarHBondContact O-CA 3.48Å; C310-I335 HydrophobicContact CB-CG1 4.12Å; I335-I337 HydrophobicContact CG2-CG1 4.49Å
336	T	96.6	Very high	87.8	Confident	8 Å²	8	43.5 Å²	43.5	5%	0.049	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.1	173.8	75.9	0	0	0	0	110.8	I278 T279 T308 S309 F322 V334 L383	I278-T336 CarbonylContact O-C 3.55Å; I278-T336 VanDerWaalsContact O-CA 3.32Å; I278-T336 WeakPolarHBondContact O-CA 3.3Å; T279-T336 HydrophobicContact CG2-CG2 4.41Å; T308-T336 CarbonylContact C-O 3.58Å; T308-T336 WeakPolarHBondContact CA-O 3.4Å; S309-T336 PolarHBondContact N-O 2.93Å; S309-T336 PolarHBondContact O-N 3.25Å; S309-T336 PolarHBondContact OG-OG1 2.93Å; F322-T336 HydrophobicContact CE1-CG2 4.33Å; F322-T336 HydrophobicContact CZ-CG2 4.2Å; V334-T336 HydrophobicContact CG1-CG2 4.11Å; T336-L383 HydrophobicContact CG2-CD1 3.96Å; T336-L383 HydrophobicContact CG2-CD2 4.39Å
337	I	96.9	Very high	88.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	108.9	178.8	-51	170	0	0	0	106.1	I278 I280 I293 L297 I305 T308 I335 I339	I278-I337 HydrophobicContact CB-CB 4.23Å; I278-I337 PolarHBondContact N-O 3.5Å; I278-I337 PolarHBondContact O-N 3.44Å; I280-I337 HydrophobicContact CD1-CD1 4.21Å; I293-I337 HydrophobicContact CB-CD1 4.31Å; I293-I337 HydrophobicContact CG2-CD1 3.78Å; L297-I337 HydrophobicContact CD1-CG2 4.02Å; I305-I337 HydrophobicContact CG1-CG2 4.3Å; I305-I337 HydrophobicContact CG2-CG2 3.87Å; T308-I337 HydrophobicContact CG2-CG1 4.23Å; T308-I337 HydrophobicContact CG2-CG2 4.17Å; I335-I337 HydrophobicContact CG2-CG1 4.49Å; I337-I339 HydrophobicContact CG2-CG2 3.98Å
338	E	95.6	Very high	90	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.056	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132	171.7	-175.3	-179.2	157	0	0	108.9	L277 V306 Q307 I380	L277-E338 HydrophobicContact CD1-CB 4.45Å; V306-E338 HydrophobicContact CB-CB 4.18Å; V306-E338 HydrophobicContact CB-CG 3.9Å; V306-E338 HydrophobicContact CG1-CG 4.46Å; V306-E338 HydrophobicContact CG2-CG 4.21Å; V306-E338 PolarHBondContact N-O 2.81Å; Q307-E338 HydrophobicContact CG-CB 3.65Å; Q307-E338 HydrophobicContact CG-CG 4.45Å; Q307-E338 WeakPolarHBondContact CG-OE2 3.37Å; Q307-E338 PolarHBondContact N-O 2.87Å; Q307-E338 PolarHBondContact NE2-OE2 2.9Å; Q307-E338 PolarHBondContact O-N 3.24Å; E338-I380 HydrophobicContact CG-CD1 3.84Å; E338-I380 HydrophobicContact CG-CG1 4.49Å
339	I	95.4	Very high	90.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.4	179.3	57.9	178.2	0	0	0	110.1	S275 A276 I278 L297 T304 I305 I337 L346 L349	S275-I339 CarbonylContact C-O 3.56Å; S275-I339 VanDerWaalsContact CA-O 3.24Å; S275-I339 WeakPolarHBondContact CA-O 3.21Å; A276-I339 HydrophobicContact CB-CD1 3.86Å; A276-I339 HydrophobicContact CB-CG1 3.75Å; A276-I339 PolarHBondContact N-O 2.81Å; A276-I339 WeakPolarHBondContact O-CG1 3.28Å; A276-I339 PolarHBondContact O-N 2.81Å; I278-I339 HydrophobicContact CD1-CD1 4.05Å; I278-I339 HydrophobicContact CG1-CD1 4.38Å; L297-I339 HydrophobicContact CD1-CG2 3.82Å; L297-I339 HydrophobicContact CD2-CD1 4.38Å; L297-I339 HydrophobicContact CD2-CG2 4.37Å; T304-I339 VanDerWaalsContact O-CA 3.28Å; T304-I339 WeakPolarHBondContact O-CA 3.48Å; I305-I339 HydrophobicContact CG1-CG2 4.2Å; I337-I339 HydrophobicContact CG2-CG2 3.98Å; I339-L346 HydrophobicContact CD1-CD2 3.69Å; I339-L346 HydrophobicContact CG1-CD2 4.15Å; I339-L349 HydrophobicContact CD1-CD1 4.33Å; I339-L349 HydrophobicContact CD1-CD2 3.13Å; I339-L349 HydrophobicContact CD1-CG 4.34Å
340	T	93.3	Very high	91.4	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	150	169.9	-177.2	0	0	0	0	109.5	L256 F272 K274 C303 T304 V306	L256-T340 HydrophobicContact CD1-CG2 4.26Å; L256-T340 HydrophobicContact CD2-CG2 3.96Å; F272-T340 HydrophobicContact CB-CG2 4.47Å; F272-T340 HydrophobicContact CD1-CG2 3.55Å; F272-T340 HydrophobicContact CE1-CG2 4.15Å; F272-T340 HydrophobicContact CG-CG2 4.33Å; K274-T340 VanDerWaalsContact O-CA 3.31Å; K274-T340 WeakPolarHBondContact O-CA 3.34Å; K274-T340 PolarHBondContact O-OG1 3.38Å; C303-T340 CarbonylContact C-O 3.56Å; C303-T340 VanDerWaalsContact CA-O 3.25Å; C303-T340 WeakPolarHBondContact CA-O 3.3Å; C303-T340 WeakPolarHBondContact CB-O 3.37Å; T304-T340 PolarHBondContact N-O 3.27Å; T304-T340 PolarHBondContact O-N 3.27Å; V306-T340 HydrophobicContact CG2-CG2 3.55Å
341	G	92.4	Very high	91.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.6	-169.5	-180	0	0	0	0	0	112.1	Q271 N273 K274 S302	Q271-G341 CarbonylContact O-C 3.51Å; Q271-G341 VanDerWaalsContact O-CA 3.25Å; Q271-G341 WeakPolarHBondContact O-CA 3.49Å; N273-G341 PolarHBondContact N-O 3.11Å; N273-G341 PolarHBondContact OD1-O 3.08Å; K274-G341 PolarHBondContact N-O 2.89Å; K274-G341 PolarHBondContact O-N 3.3Å; S302-G341 WeakPolarHBondContact O-CA 3.42Å
342	T	89.7	Confident	92.3	Very high	39 Å²	39	35.1 Å²	35.1	24%	0.239	20%	0.196	C	C	.	.			trans	-70.5	146.3	177.7	71.8	0	0	0	0	110.8	Q271 N273 S302 N344 T345 L346	Q271-T342 PolarHBondContact O-N 3.3Å; Q271-T342 VanDerWaalsContact O-N 3.07Å; N273-T342 WeakPolarHBondContact OD1-CA 3.45Å; S302-T342 PolarHBondContact O-N 3.11Å; T342-N344 VanDerWaalsContact C-N 3.28Å; T342-N344 PolarHBondContact O-N 2.75Å; T342-T345 PolarHBondContact O-N 3.1Å; T342-T345 VanDerWaalsContact O-N 3.16Å; T342-T345 WeakPolarHBondContact OG1-CB 3.34Å; T342-T345 PolarHBondContact OG1-N 3.35Å; T342-T345 PolarHBondContact OG1-OG1 2.83Å; T342-L346 PolarHBondContact O-N 3.09Å
343	S	88.4	Confident	92.4	Very high	36 Å²	36	34.4 Å²	34.4	25%	0.252	19%	0.189	S	C	.	.	H	α-helix	trans	-50.5	-48.8	175.2	-164.6	0	0	0	0	112.2	N273 T345 L346 D347	N273-S343 PolarHBondContact OD1-N 3.45Å; S343-T345 VanDerWaalsContact C-N 3.31Å; S343-T345 PolarHBondContact O-N 3.2Å; S343-L346 PolarHBondContact O-N 2.98Å; S343-L346 VanDerWaalsContact O-N 3.1Å; S343-D347 WeakPolarHBondContact O-CB 3.46Å; S343-D347 PolarHBondContact O-N 3.33Å; S343-D347 PolarHBondContact OG-OD2 2.79Å
344	N	89.1	Confident	92.3	Very high	132 Å²	132	32.1 Å²	32.1	71%	0.706	18%	0.176	S	C	*	.	H	α-helix	trans	-56.2	-44.6	-178.3	-66.6	5.3	0	0	0	112.4	T342 T348	T342-N344 VanDerWaalsContact C-N 3.28Å; T342-N344 PolarHBondContact O-N 2.75Å; N344-T348 PolarHBondContact O-N 2.96Å; N344-T348 PolarHBondContact O-OG1 3.45Å
345	T	89.5	Confident	92.1	Very high	18 Å²	18	36.4 Å²	36.4	11%	0.11	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-46.1	176.9	-62.4	0	0	0	0	111.5	S302 C303 T342 S343 D347 T348 L349	S302-T345 WeakPolarHBondContact CB-OG1 3.3Å; S302-T345 WeakPolarHBondContact OG-CG2 3.43Å; S302-T345 PolarHBondContact OG-OG1 2.76Å; C303-T345 HydrophobicContact CB-CG2 4.32Å; T342-T345 PolarHBondContact O-N 3.1Å; T342-T345 VanDerWaalsContact O-N 3.16Å; T342-T345 WeakPolarHBondContact OG1-CB 3.34Å; T342-T345 PolarHBondContact OG1-N 3.35Å; T342-T345 PolarHBondContact OG1-OG1 2.83Å; S343-T345 VanDerWaalsContact C-N 3.31Å; S343-T345 PolarHBondContact O-N 3.2Å; T345-D347 VanDerWaalsContact C-N 3.32Å; T345-D347 PolarHBondContact O-N 2.87Å; T345-T348 PolarHBondContact O-N 3.25Å; T345-T348 PolarHBondContact O-OG1 2.83Å; T345-L349 WeakPolarHBondContact O-CB 3.19Å; T345-L349 PolarHBondContact O-N 3.27Å
346	L	91.2	Very high	91.8	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-71.6	-27.8	-176.9	-63.7	-167.5	0	0	0	112.7	K274 A276 C303 I339 T342 S343 L349 T371	K274-L346 VanDerWaalsContact C-CD1 3.5Å; K274-L346 HydrophobicContact CB-CD1 3.91Å; K274-L346 HydrophobicContact CD-CB 4.19Å; K274-L346 HydrophobicContact CD-CD1 4.5Å; K274-L346 HydrophobicContact CG-CB 4.49Å; K274-L346 HydrophobicContact CG-CD1 3.91Å; K274-L346 WeakPolarHBondContact O-CD1 3.29Å; A276-L346 HydrophobicContact CB-CD1 4.03Å; A276-L346 HydrophobicContact CB-CD2 4.31Å; C303-L346 HydrophobicContact CB-CD2 4.39Å; I339-L346 HydrophobicContact CD1-CD2 3.69Å; I339-L346 HydrophobicContact CG1-CD2 4.15Å; T342-L346 PolarHBondContact O-N 3.09Å; S343-L346 PolarHBondContact O-N 2.98Å; S343-L346 VanDerWaalsContact O-N 3.1Å; L346-L349 HydrophobicContact CD2-CD2 4.2Å; L346-L349 WeakPolarHBondContact O-CB 3.16Å; L346-L349 PolarHBondContact O-N 2.7Å; L346-T371 WeakPolarHBondContact O-CG2 3.2Å
347	D	89.8	Confident	91.5	Very high	82 Å²	82	42.1 Å²	42.1	44%	0.439	23%	0.231	S	C	.	.	H	α-helix	trans	-68.4	-37	175.3	-68.7	-32.4	0	0	0	111.9	K274 S343 T345	K274-D347 IonicContact NZ-OD1 3.31Å; K274-D347 PolarHBondContact NZ-OD1 3.5Å; S343-D347 WeakPolarHBondContact O-CB 3.46Å; S343-D347 PolarHBondContact O-N 3.33Å; S343-D347 PolarHBondContact OG-OD2 2.79Å; T345-D347 VanDerWaalsContact C-N 3.32Å; T345-D347 PolarHBondContact O-N 2.87Å
348	T	91.5	Very high	91.2	Very high	58 Å²	58	49.4 Å²	49.4	36%	0.356	27%	0.27	S	S	.	.	H	α-helix	trans	-88.9	-9.1	176.9	57.2	0	0	0	0	113.7	N344 T345 S350 E351 E352	N344-T348 PolarHBondContact O-N 2.96Å; N344-T348 PolarHBondContact O-OG1 3.45Å; T345-T348 PolarHBondContact O-N 3.25Å; T345-T348 PolarHBondContact O-OG1 2.83Å; T348-S350 VanDerWaalsContact C-N 3.27Å; T348-S350 PolarHBondContact O-N 2.96Å; T348-S350 VanDerWaalsContact O-N 3.15Å; T348-E351 PolarHBondContact O-N 2.95Å; T348-E352 WeakPolarHBondContact O-CG 3.35Å; T348-E352 PolarHBondContact O-N 3.04Å
349	L	91.3	Very high	91	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-54.7	-40.6	-169.4	-178.4	75.4	0	0	0	113.6	A276 I278 L297 I339 T345 L346 E351 E352 I353 I369	A276-L349 HydrophobicContact CB-CD2 4.41Å; I278-L349 HydrophobicContact CD1-CD2 4.31Å; I278-L349 HydrophobicContact CG1-CD2 4.41Å; L297-L349 HydrophobicContact CD2-CD1 3.92Å; I339-L349 HydrophobicContact CD1-CD1 4.33Å; I339-L349 HydrophobicContact CD1-CD2 3.13Å; I339-L349 HydrophobicContact CD1-CG 4.34Å; T345-L349 WeakPolarHBondContact O-CB 3.19Å; T345-L349 PolarHBondContact O-N 3.27Å; L346-L349 HydrophobicContact CD2-CD2 4.2Å; L346-L349 WeakPolarHBondContact O-CB 3.16Å; L346-L349 PolarHBondContact O-N 2.7Å; L349-E351 PolarHBondContact O-N 3.24Å; L349-E352 PolarHBondContact O-N 3.36Å; L349-I353 HydrophobicContact CD1-CD1 3.88Å; L349-I353 HydrophobicContact CD1-CG1 4.12Å; L349-I353 HydrophobicContact CD2-CD1 4.26Å; L349-I353 HydrophobicContact CG-CD1 3.81Å; L349-I353 HydrophobicContact CG-CG1 4.27Å; L349-I353 WeakPolarHBondContact O-CB 3.41Å; L349-I353 WeakPolarHBondContact O-CG1 3.48Å; L349-I353 PolarHBondContact O-N 2.88Å; L349-I369 HydrophobicContact CD2-CG2 3.91Å
350	S	90.3	Very high	90.6	Very high	52 Å²	52	52.8 Å²	52.8	36%	0.364	29%	0.291	S	S	.	.	H	α-helix	trans	-61.3	-46.5	-179.8	-175.1	0	0	0	0	111.4	T348 E352 M354	T348-S350 VanDerWaalsContact C-N 3.27Å; T348-S350 PolarHBondContact O-N 2.96Å; T348-S350 VanDerWaalsContact O-N 3.15Å; S350-E352 VanDerWaalsContact C-N 3.34Å; S350-M354 VanDerWaalsContact O-CB 3.31Å; S350-M354 WeakPolarHBondContact O-CB 3.37Å; S350-M354 WeakPolarHBondContact O-CG 3.19Å; S350-M354 PolarHBondContact O-N 2.85Å
351	E	91.3	Very high	90.3	Very high	148 Å²	148	58.4 Å²	58.4	69%	0.692	33%	0.325	S	S	*	.	H	α-helix	trans	-66.5	-39.8	177.6	-64.6	-179.7	174.7	0	0	111.1	T348 L349 M354 S355	T348-E351 PolarHBondContact O-N 2.95Å; L349-E351 PolarHBondContact O-N 3.24Å; E351-M354 PolarHBondContact O-N 3.09Å; E351-S355 WeakPolarHBondContact O-CB 3.25Å; E351-S355 PolarHBondContact O-N 2.95Å; E351-S355 PolarHBondContact O-OG 2.84Å
352	E	92.1	Very high	90.1	Very high	38 Å²	38	62 Å²	62	18%	0.178	35%	0.35	C	S	.	.	H	α-helix	trans	-63.6	-49.8	178.6	-70.3	-155.8	141.8	0	0	112.8	Y296 T348 L349 S350 M354 S355 K356	Y296-E352 HydrophobicContact CE1-CB 4.44Å; Y296-E352 WeakPolarHBondContact OH-CB 3.3Å; Y296-E352 VanDerWaalsContact OH-CD 3.31Å; Y296-E352 PolarHBondContact OH-OE2 3.3Å; T348-E352 WeakPolarHBondContact O-CG 3.35Å; T348-E352 PolarHBondContact O-N 3.04Å; L349-E352 PolarHBondContact O-N 3.36Å; S350-E352 VanDerWaalsContact C-N 3.34Å; E352-M354 VanDerWaalsContact C-N 3.3Å; E352-M354 PolarHBondContact O-N 2.88Å; E352-S355 PolarHBondContact O-N 3.12Å; E352-S355 PolarHBondContact O-OG 2.77Å; E352-K356 HydrophobicContact CB-CD 4.3Å; E352-K356 HydrophobicContact CG-CD 4.47Å; E352-K356 WeakPolarHBondContact O-CA 2.89Å; E352-K356 WeakPolarHBondContact O-CB 3.17Å; E352-K356 PolarHBondContact O-N 3.25Å; E352-K356 IonicContact OE1-NZ 3.71Å; E352-K356 PolarHBondContact OE1-NZ 3.19Å
353	I	92.1	Very high	90	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.2	-46.2	176.8	-71.8	177.1	0	0	0	109.2	I278 I293 Y296 L349 S355 T357 I359 I369	I278-I353 HydrophobicContact CD1-CD1 3.49Å; I278-I353 VanDerWaalsContact CD1-CD1 3.49Å; I278-I353 HydrophobicContact CG1-CD1 4.25Å; I293-I353 HydrophobicContact CD1-CG2 4.22Å; I293-I353 HydrophobicContact CG1-CG2 4.03Å; I293-I353 HydrophobicContact CG2-CD1 4.19Å; Y296-I353 HydrophobicContact CD1-CG1 4.17Å; Y296-I353 HydrophobicContact CE1-CG1 4.24Å; L349-I353 HydrophobicContact CD1-CD1 3.88Å; L349-I353 HydrophobicContact CD1-CG1 4.12Å; L349-I353 HydrophobicContact CD2-CD1 4.26Å; L349-I353 HydrophobicContact CG-CD1 3.81Å; L349-I353 HydrophobicContact CG-CG1 4.27Å; L349-I353 WeakPolarHBondContact O-CB 3.41Å; L349-I353 WeakPolarHBondContact O-CG1 3.48Å; L349-I353 PolarHBondContact O-N 2.88Å; I353-S355 VanDerWaalsContact C-N 3.31Å; I353-S355 PolarHBondContact O-N 3.08Å; I353-T357 HydrophobicContact CG2-CG2 4.35Å; I353-T357 WeakPolarHBondContact O-CB 3.28Å; I353-T357 WeakPolarHBondContact O-CG2 3.15Å; I353-T357 PolarHBondContact O-N 3.06Å; I353-T357 PolarHBondContact O-OG1 2.87Å; I353-I359 HydrophobicContact CG2-CD1 4.35Å; I353-I369 HydrophobicContact CB-CD1 4.05Å; I353-I369 HydrophobicContact CD1-CD1 3.86Å; I353-I369 HydrophobicContact CG1-CD1 4.48Å; I353-I369 HydrophobicContact CG2-CD1 4.2Å
354	M	91.3	Very high	90	Very high	45 Å²	45	61.3 Å²	61.3	22%	0.222	34%	0.34	C	S	.	.	H	α-helix	trans	-70.3	-24.3	-176.9	-63.5	-63.5	178.7	0	0	113.5	S350 E351 E352 K364 I367 I369	S350-M354 VanDerWaalsContact O-CB 3.31Å; S350-M354 WeakPolarHBondContact O-CB 3.37Å; S350-M354 WeakPolarHBondContact O-CG 3.19Å; S350-M354 PolarHBondContact O-N 2.85Å; E351-M354 PolarHBondContact O-N 3.09Å; E352-M354 VanDerWaalsContact C-N 3.3Å; E352-M354 PolarHBondContact O-N 2.88Å; M354-K364 HydrophobicContact CB-CD 4.47Å; M354-K364 HydrophobicContact CE-CB 4.39Å; M354-K364 VanDerWaalsContact O-CE 3.27Å; M354-K364 WeakPolarHBondContact O-CE 3.46Å; M354-K364 PolarHBondContact O-NZ 3.39Å; M354-K364 HydrophobicContact SD-CB 3.68Å; M354-K364 HydrophobicContact SD-CD 3.64Å; M354-K364 HydrophobicContact SD-CG 3.45Å; M354-K364 WeakPolarHBondContact SD-CG 3.47Å; M354-I367 HydrophobicContact CE-CB 4.08Å; M354-I367 HydrophobicContact CE-CG2 4.1Å; M354-I369 HydrophobicContact CE-CD1 4.31Å
355	S	90	Very high	90	Very high	89 Å²	89	61.1 Å²	61.1	62%	0.622	34%	0.338	S	S	*	.	H	α-helix	trans	-101	-36.6	-178.1	60.8	0	0	0	0	114.2	E351 E352 I353	E351-S355 WeakPolarHBondContact O-CB 3.25Å; E351-S355 PolarHBondContact O-N 2.95Å; E351-S355 PolarHBondContact O-OG 2.84Å; E352-S355 PolarHBondContact O-N 3.12Å; E352-S355 PolarHBondContact O-OG 2.77Å; I353-S355 VanDerWaalsContact C-N 3.31Å; I353-S355 PolarHBondContact O-N 3.08Å
356	K	89.7	Confident	90.2	Very high	122 Å²	122	63.7 Å²	63.7	53%	0.53	35%	0.346	S	S	.	.	H	α-helix	trans	-95.3	-12.5	-172.7	-60.3	177.3	177.2	174.5	0	113.5	Y296 E352	Y296-K356 HydrophobicContact CD2-CB 4.45Å; Y296-K356 HydrophobicContact CE2-CB 3.84Å; Y296-K356 HydrophobicContact CE2-CD 3.89Å; Y296-K356 WeakPolarHBondContact OH-CD 3.34Å; E352-K356 HydrophobicContact CB-CD 4.3Å; E352-K356 HydrophobicContact CG-CD 4.47Å; E352-K356 WeakPolarHBondContact O-CA 2.89Å; E352-K356 WeakPolarHBondContact O-CB 3.17Å; E352-K356 PolarHBondContact O-N 3.25Å; E352-K356 IonicContact OE1-NZ 3.71Å; E352-K356 PolarHBondContact OE1-NZ 3.19Å
357	T	90.9	Very high	90.3	Very high	10 Å²	10	64.4 Å²	64.4	6%	0.061	35%	0.35	C	S	.	.	S	Bend	trans	-98.8	146.6	175	73.6	0	0	0	0	111.7	I292 Y296 I353 I359	I292-T357 HydrophobicContact CG2-CG2 4.13Å; Y296-T357 HydrophobicContact CD2-CG2 4.34Å; Y296-T357 HydrophobicContact CG-CG2 4.03Å; I353-T357 HydrophobicContact CG2-CG2 4.35Å; I353-T357 WeakPolarHBondContact O-CB 3.28Å; I353-T357 WeakPolarHBondContact O-CG2 3.15Å; I353-T357 PolarHBondContact O-N 3.06Å; I353-T357 PolarHBondContact O-OG1 2.87Å; T357-I359 PolarHBondContact O-N 3.25Å; T357-I359 WeakPolarHBondContact OG1-CD1 3.4Å; T357-I359 VanDerWaalsContact OG1-CG1 3.27Å; T357-I359 WeakPolarHBondContact OG1-CG1 3.44Å
358	N	90.4	Very high	90.5	Very high	154 Å²	154	63 Å²	63	82%	0.824	34%	0.341	S	S	*	.			trans	-80.4	29.3	177.7	-68.5	-24	0	0	0	113
359	I	91	Very high	90.6	Very high	9 Å²	9	61.5 Å²	61.5	5%	0.046	33%	0.331	C	S	.	.			trans	-69.3	135.5	176.4	-60.9	170.6	0	0	0	108.7	I292 I293 I353 T357 K364 I367	I292-I359 HydrophobicContact CB-CG1 4.49Å; I292-I359 HydrophobicContact CG2-CG1 4.04Å; I293-I359 HydrophobicContact CD1-CD1 3.8Å; I293-I359 HydrophobicContact CG1-CD1 3.68Å; I353-I359 HydrophobicContact CG2-CD1 4.35Å; T357-I359 PolarHBondContact O-N 3.25Å; T357-I359 WeakPolarHBondContact OG1-CD1 3.4Å; T357-I359 VanDerWaalsContact OG1-CG1 3.27Å; T357-I359 WeakPolarHBondContact OG1-CG1 3.44Å; I359-K364 HydrophobicContact CB-CG 4.4Å; I359-K364 HydrophobicContact CG2-CG 3.94Å; I359-K364 WeakPolarHBondContact O-CE 3.45Å; I359-I367 HydrophobicContact CD1-CD1 3.82Å; I359-I367 HydrophobicContact CG2-CD1 3.93Å
360	T	88.3	Confident	90.8	Very high	74 Å²	74	62 Å²	62	45%	0.454	33%	0.334	S	S	.	.			trans	-64.1	148.8	179.8	65.6	0	0	0	0	110.9	S362 S363 K364	T360-S362 PolarHBondContact O-N 3.4Å; T360-S362 PolarHBondContact OG1-OG 3.12Å; T360-S363 PolarHBondContact O-N 3.37Å; T360-S363 VanDerWaalsContact O-N 3.08Å; T360-S363 VanDerWaalsContact OG1-CB 3.25Å; T360-S363 WeakPolarHBondContact OG1-CB 3.35Å; T360-S363 PolarHBondContact OG1-N 2.85Å; T360-S363 PolarHBondContact OG1-OG 3.37Å; T360-S363 VanDerWaalsContact OG1-OG 3.09Å; T360-K364 WeakPolarHBondContact O-CG 3.39Å; T360-K364 PolarHBondContact O-N 3.17Å; T360-K364 VanDerWaalsContact O-N 3.09Å
361	V	87	Confident	90.9	Very high	121 Å²	121	61.3 Å²	61.3	73%	0.733	33%	0.327	S	S	*	.	H	α-helix	trans	-57.2	-35.9	179.4	178.8	0	0	0	0	111.6	K364	V361-K364 PolarHBondContact O-N 3.43Å
362	S	87.8	Confident	91	Very high	76 Å²	76	58.7 Å²	58.7	53%	0.531	32%	0.318	S	S	.	.	H	α-helix	trans	-66.2	-43.6	175.7	49.5	0	0	0	0	112.6	T360 K364 L365 Y366	T360-S362 PolarHBondContact O-N 3.4Å; T360-S362 PolarHBondContact OG1-OG 3.12Å; S362-K364 VanDerWaalsContact C-N 3.31Å; S362-K364 PolarHBondContact O-N 3.08Å; S362-L365 WeakPolarHBondContact O-CB 3.4Å; S362-L365 PolarHBondContact O-N 3.47Å; S362-Y366 WeakPolarHBondContact O-CD2 3.21Å
363	S	87.8	Confident	90.8	Very high	5 Å²	5	60 Å²	60	4%	0.035	33%	0.331	C	S	.	.	H	α-helix	trans	-65	-32	177.3	-75.8	0	0	0	0	112.9	H283 T360 L365 Y366	H283-S363 PolarHBondContact CD2-OG 2.93Å; H283-S363 VanDerWaalsContact CD2-OG 3.29Å; H283-S363 WeakPolarHBondContact NE2-CB 3.32Å; H283-S363 PolarHBondContact NE2-OG 3.41Å; T360-S363 PolarHBondContact O-N 3.37Å; T360-S363 VanDerWaalsContact O-N 3.08Å; T360-S363 VanDerWaalsContact OG1-CB 3.25Å; T360-S363 WeakPolarHBondContact OG1-CB 3.35Å; T360-S363 PolarHBondContact OG1-N 2.85Å; T360-S363 PolarHBondContact OG1-OG 3.37Å; T360-S363 VanDerWaalsContact OG1-OG 3.09Å; S363-L365 PolarHBondContact O-N 3.4Å; S363-L365 VanDerWaalsContact O-N 3.16Å; S363-Y366 PolarHBondContact O-N 2.89Å
364	K	88.2	Confident	90.7	Very high	54 Å²	54	66.7 Å²	66.7	24%	0.235	37%	0.366	C	S	.	.	H	α-helix	trans	-57.9	-28.9	177.7	-68.6	178.8	-175.1	170.6	0	113.3	M354 I359 T360 V361 S362 Y366 I367	M354-K364 HydrophobicContact CB-CD 4.47Å; M354-K364 HydrophobicContact CE-CB 4.39Å; M354-K364 VanDerWaalsContact O-CE 3.27Å; M354-K364 WeakPolarHBondContact O-CE 3.46Å; M354-K364 PolarHBondContact O-NZ 3.39Å; M354-K364 HydrophobicContact SD-CB 3.68Å; M354-K364 HydrophobicContact SD-CD 3.64Å; M354-K364 HydrophobicContact SD-CG 3.45Å; M354-K364 WeakPolarHBondContact SD-CG 3.47Å; I359-K364 HydrophobicContact CB-CG 4.4Å; I359-K364 HydrophobicContact CG2-CG 3.94Å; I359-K364 WeakPolarHBondContact O-CE 3.45Å; T360-K364 WeakPolarHBondContact O-CG 3.39Å; T360-K364 PolarHBondContact O-N 3.17Å; T360-K364 VanDerWaalsContact O-N 3.09Å; V361-K364 PolarHBondContact O-N 3.43Å; S362-K364 VanDerWaalsContact C-N 3.31Å; S362-K364 PolarHBondContact O-N 3.08Å; K364-Y366 PolarHBondContact O-N 3.13Å; K364-I367 PolarHBondContact O-N 3.32Å
365	L	89	Confident	90.8	Very high	128 Å²	128	66 Å²	66	67%	0.67	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.9	176	-61.7	173.4	0	0	0	113.4	S362 S363	S362-L365 WeakPolarHBondContact O-CB 3.4Å; S362-L365 PolarHBondContact O-N 3.47Å; S363-L365 PolarHBondContact O-N 3.4Å; S363-L365 VanDerWaalsContact O-N 3.16Å
366	Y	92.4	Very high	90.9	Very high	72 Å²	72	61.7 Å²	61.7	28%	0.282	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	10.7	-179.7	-62.7	-93.4	0	0	0	113.1	F281 H283 F329 S362 S363 K364	F281-Y366 HydrophobicContact CB-CD1 4.42Å; F281-Y366 WeakPolarHBondContact CD2-O 3.19Å; F281-Y366 PolarHBondContact N-O 3.19Å; H283-Y366 HydrophobicContact CB-CD1 3.97Å; H283-Y366 HydrophobicContact CB-CD2 4.07Å; H283-Y366 HydrophobicContact CB-CE1 4.27Å; H283-Y366 HydrophobicContact CB-CE2 4.36Å; H283-Y366 HydrophobicContact CB-CG 3.87Å; F329-Y366 AromaticContact CD1-CD1 3.86Å; F329-Y366 HydrophobicContact CD1-CD1 3.86Å; F329-Y366 HydrophobicContact CD1-CE1 4.34Å; F329-Y366 AromaticContact CE1-CD1 3.88Å; F329-Y366 HydrophobicContact CE1-CD1 3.88Å; F329-Y366 HydrophobicContact CE1-CE1 4.47Å; F329-Y366 HydrophobicContact CE1-CG 4.41Å; S362-Y366 WeakPolarHBondContact O-CD2 3.21Å; S363-Y366 PolarHBondContact O-N 2.89Å; K364-Y366 PolarHBondContact O-N 3.13Å
367	I	93.8	Very high	90.9	Very high	15 Å²	15	59.4 Å²	59.4	8%	0.077	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.6	-179.4	-59.3	167.2	0	0	0	108.3	I278 T279 I280 I293 M354 I359 K364 I369	I278-I367 HydrophobicContact CG2-CG2 4.08Å; T279-I367 CarbonylContact O-C 3.52Å; T279-I367 WeakPolarHBondContact O-CA 3.22Å; I280-I367 HydrophobicContact CG1-CG1 4.29Å; I280-I367 HydrophobicContact CG2-CG1 4.31Å; I293-I367 HydrophobicContact CD1-CD1 4.06Å; I293-I367 HydrophobicContact CD1-CG2 4.38Å; M354-I367 HydrophobicContact CE-CB 4.08Å; M354-I367 HydrophobicContact CE-CG2 4.1Å; I359-I367 HydrophobicContact CD1-CD1 3.82Å; I359-I367 HydrophobicContact CG2-CD1 3.93Å; K364-I367 PolarHBondContact O-N 3.32Å; I367-I369 HydrophobicContact CG2-CD1 4.45Å; I367-I369 HydrophobicContact CG2-CG1 4.14Å
368	Q	93.4	Very high	91	Very high	52 Å²	52	62.1 Å²	62.1	24%	0.243	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.9	173.7	-178.9	179.2	33.6	0	0	109.4	T279 F281 F322	T279-Q368 PolarHBondContact N-O 3.3Å; T279-Q368 PolarHBondContact O-N 2.86Å; F281-Q368 HydrophobicContact CE2-CB 3.78Å; F281-Q368 HydrophobicContact CZ-CB 4.47Å; F322-Q368 PolarHBondContact O-NE2 3.2Å
369	I	94.9	Very high	91.1	Very high	28 Å²	28	55.2 Å²	55.2	14%	0.144	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.4	178.7	-57.5	173.1	0	0	0	107.3	I278 L349 I353 M354 I367 T371	I278-I369 HydrophobicContact CG1-CG1 4.25Å; I278-I369 HydrophobicContact CG1-CG2 4.3Å; I278-I369 HydrophobicContact CG2-CG1 4.27Å; L349-I369 HydrophobicContact CD2-CG2 3.91Å; I353-I369 HydrophobicContact CB-CD1 4.05Å; I353-I369 HydrophobicContact CD1-CD1 3.86Å; I353-I369 HydrophobicContact CG1-CD1 4.48Å; I353-I369 HydrophobicContact CG2-CD1 4.2Å; M354-I369 HydrophobicContact CE-CD1 4.31Å; I367-I369 HydrophobicContact CG2-CD1 4.45Å; I367-I369 HydrophobicContact CG2-CG1 4.14Å; I369-T371 HydrophobicContact CG2-CG2 3.94Å
370	T	94.5	Very high	91.1	Very high	10 Å²	10	55.5 Å²	55.5	6%	0.061	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.5	-180	-43.4	0	0	0	0	108.2	A276 L277 E375 T376 R379	A276-T370 CarbonylContact C-O 3.53Å; A276-T370 WeakPolarHBondContact CA-O 3.07Å; A276-T370 VanDerWaalsContact CB-O 3.24Å; A276-T370 WeakPolarHBondContact CB-O 3.29Å; L277-T370 PolarHBondContact N-O 3.3Å; L277-T370 PolarHBondContact O-N 2.95Å; T370-E375 HydrophobicContact CG2-CB 4.13Å; T370-E375 HydrophobicContact CG2-CG 3.8Å; T370-T376 PolarHBondContact O-OG1 3.47Å; T370-R379 PolarHBondContact OG1-NH1 2.85Å
371	T	93.5	Very high	91.2	Very high	37 Å²	37	56.8 Å²	56.8	23%	0.227	31%	0.306	C	S	.	.			trans	-117.7	-12.4	-179.3	60.7	0	0	0	0	112.2	K274 A276 L346 I369 S373	K274-T371 WeakPolarHBondContact CE-O 3.32Å; K274-T371 PolarHBondContact NZ-O 3.14Å; A276-T371 HydrophobicContact CB-CG2 4.11Å; L346-T371 WeakPolarHBondContact O-CG2 3.2Å; I369-T371 HydrophobicContact CG2-CG2 3.94Å; T371-S373 PolarHBondContact O-N 3.38Å
372	D	91.9	Very high	91.3	Very high	93 Å²	93	54.3 Å²	54.3	50%	0.497	29%	0.288	S	S	.	.			trans	-63.5	125.1	170.1	175.5	71.4	0	0	0	109.8	L374 E375 T376	D372-L374 PolarHBondContact O-N 3.15Å; D372-L374 PolarHBondContact OD2-N 2.79Å; D372-E375 HydrophobicContact CB-CB 4.19Å; D372-E375 PolarHBondContact O-N 2.83Å; D372-E375 VanDerWaalsContact OD2-CB 3.29Å; D372-E375 WeakPolarHBondContact OD2-CB 3.35Å; D372-E375 PolarHBondContact OD2-N 3.4Å; D372-T376 WeakPolarHBondContact O-CB 3.06Å; D372-T376 PolarHBondContact O-N 3.43Å; D372-T376 PolarHBondContact O-OG1 2.86Å
373	S	88.6	Confident	91.4	Very high	65 Å²	65	51.4 Å²	51.4	46%	0.455	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-44	-171.4	-60.2	0	0	0	0	112.1	T371 T376 T377	T371-S373 PolarHBondContact O-N 3.38Å; S373-T376 PolarHBondContact O-N 3.36Å; S373-T377 WeakPolarHBondContact O-CB 3.28Å; S373-T377 PolarHBondContact O-N 3.21Å; S373-T377 PolarHBondContact O-OG1 3.48Å
374	L	91	Very high	91.1	Very high	142 Å²	142	53.7 Å²	53.7	74%	0.743	28%	0.278	S	S	*	.	H	α-helix	trans	-66.2	-46.8	-177.6	-179.8	65.7	0	0	0	111.2	D372 R378	D372-L374 PolarHBondContact O-N 3.15Å; D372-L374 PolarHBondContact OD2-N 2.79Å; L374-R378 WeakPolarHBondContact O-CB 3.38Å; L374-R378 PolarHBondContact O-N 3.28Å
375	E	92.2	Very high	90.6	Very high	29 Å²	29	52.7 Å²	52.7	14%	0.136	28%	0.283	C	S	.	.	H	α-helix	trans	-69.7	-35.1	179.8	-176.8	61.5	-159.8	0	0	111.7	K323 T370 D372 R378 R379	K323-E375 IonicContact NZ-OE1 3.79Å; K323-E375 IonicContact NZ-OE2 2.84Å; K323-E375 PolarHBondContact NZ-OE2 2.99Å; T370-E375 HydrophobicContact CG2-CB 4.13Å; T370-E375 HydrophobicContact CG2-CG 3.8Å; D372-E375 HydrophobicContact CB-CB 4.19Å; D372-E375 PolarHBondContact O-N 2.83Å; D372-E375 VanDerWaalsContact OD2-CB 3.29Å; D372-E375 WeakPolarHBondContact OD2-CB 3.35Å; D372-E375 PolarHBondContact OD2-N 3.4Å; E375-R378 PolarHBondContact O-N 3.23Å; E375-R378 IonicContact OE1-CZ 2.92Å; E375-R378 IonicContact OE1-NE 3.52Å; E375-R378 PolarHBondContact OE1-NE 2.68Å; E375-R378 IonicContact OE1-NH2 3.83Å; E375-R378 PolarHBondContact OE1-NH2 2.73Å; E375-R378 IonicContact OE2-CZ 2.85Å; E375-R378 IonicContact OE2-NE 3.17Å; E375-R378 PolarHBondContact OE2-NE 2.69Å; E375-R378 IonicContact OE2-NH2 3.27Å; E375-R379 VanDerWaalsContact O-CG 3.28Å; E375-R379 WeakPolarHBondContact O-CG 3.27Å; E375-R379 PolarHBondContact O-N 3.16Å; E375-R379 IonicContact OE1-CZ 2.66Å; E375-R379 IonicContact OE1-NE 3.89Å; E375-R379 PolarHBondContact OE1-NE 3.41Å; E375-R379 IonicContact OE1-NH2 3.29Å; E375-R379 PolarHBondContact OE1-NH2 3.38Å; E375-R379 VanDerWaalsContact OE1-NH2 3.1Å
376	T	92.7	Very high	89.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-53	172.8	-62.2	0	0	0	0	110.9	L277 T370 D372 S373 R378 R379 I380	L277-T376 HydrophobicContact CB-CG2 4.28Å; T370-T376 PolarHBondContact O-OG1 3.47Å; D372-T376 WeakPolarHBondContact O-CB 3.06Å; D372-T376 PolarHBondContact O-N 3.43Å; D372-T376 PolarHBondContact O-OG1 2.86Å; S373-T376 PolarHBondContact O-N 3.36Å; T376-R378 VanDerWaalsContact C-N 3.31Å; T376-R378 PolarHBondContact O-N 3.39Å; T376-R379 PolarHBondContact O-N 3.16Å; T376-I380 HydrophobicContact CG2-CD1 3.62Å; T376-I380 HydrophobicContact CG2-CG1 4.44Å; T376-I380 WeakPolarHBondContact O-CG1 3.47Å; T376-I380 PolarHBondContact O-N 3.13Å
377	T	90.7	Very high	87.8	Confident	73 Å²	73	46.8 Å²	46.8	45%	0.448	26%	0.255	S	S	.	.	H	α-helix	trans	-58.5	-43	177	-60.7	0	0	0	0	111.5	S373 R379 I380 N381	S373-T377 WeakPolarHBondContact O-CB 3.28Å; S373-T377 PolarHBondContact O-N 3.21Å; S373-T377 PolarHBondContact O-OG1 3.48Å; T377-R379 PolarHBondContact O-N 3.18Å; T377-I380 PolarHBondContact O-N 3.03Å; T377-N381 WeakPolarHBondContact O-CB 3.38Å; T377-N381 PolarHBondContact O-N 2.91Å; T377-N381 PolarHBondContact O-ND2 3.43Å
378	R	92.5	Very high	86	Confident	68 Å²	68	55 Å²	55	26%	0.257	29%	0.286	S	S	.	.	H	α-helix	trans	-57.8	-46.7	176.9	-170.8	-168.3	72.6	79.1	6.5	111.8	Q320 I321 L374 E375 T376 L382	Q320-R378 PolarHBondContact O-NH1 2.96Å; I321-R378 PolarHBondContact O-NH2 3.47Å; L374-R378 WeakPolarHBondContact O-CB 3.38Å; L374-R378 PolarHBondContact O-N 3.28Å; E375-R378 PolarHBondContact O-N 3.23Å; E375-R378 IonicContact OE1-CZ 2.92Å; E375-R378 IonicContact OE1-NE 3.52Å; E375-R378 PolarHBondContact OE1-NE 2.68Å; E375-R378 IonicContact OE1-NH2 3.83Å; E375-R378 PolarHBondContact OE1-NH2 2.73Å; E375-R378 IonicContact OE2-CZ 2.85Å; E375-R378 IonicContact OE2-NE 3.17Å; E375-R378 PolarHBondContact OE2-NE 2.69Å; E375-R378 IonicContact OE2-NH2 3.27Å; T376-R378 VanDerWaalsContact C-N 3.31Å; T376-R378 PolarHBondContact O-N 3.39Å; R378-L382 WeakPolarHBondContact O-CG 3.1Å; R378-L382 PolarHBondContact O-N 3.45Å; R378-L382 VanDerWaalsContact O-N 3.13Å
379	R	92.9	Very high	84	Confident	9 Å²	9	58.3 Å²	58.3	3%	0.034	30%	0.302	C	S	.	.	H	α-helix	trans	-67.1	-46.6	-179.1	-72	171.2	-172.1	-138.5	-13.1	112	L277 F322 T370 E375 T376 T377 N381 L382 L383	L277-R379 HydrophobicContact CD2-CB 3.62Å; L277-R379 HydrophobicContact CD2-CG 4.44Å; F322-R379 PolarHBondContact O-NH2 3.13Å; T370-R379 PolarHBondContact OG1-NH1 2.85Å; E375-R379 VanDerWaalsContact O-CG 3.28Å; E375-R379 WeakPolarHBondContact O-CG 3.27Å; E375-R379 PolarHBondContact O-N 3.16Å; E375-R379 IonicContact OE1-CZ 2.66Å; E375-R379 IonicContact OE1-NE 3.89Å; E375-R379 PolarHBondContact OE1-NE 3.41Å; E375-R379 IonicContact OE1-NH2 3.29Å; E375-R379 PolarHBondContact OE1-NH2 3.38Å; E375-R379 VanDerWaalsContact OE1-NH2 3.1Å; T376-R379 PolarHBondContact O-N 3.16Å; T377-R379 PolarHBondContact O-N 3.18Å; R379-N381 VanDerWaalsContact C-N 3.28Å; R379-N381 PolarHBondContact O-N 3.12Å; R379-L382 PolarHBondContact O-N 3.49Å; R379-L382 VanDerWaalsContact O-N 3.16Å; R379-L383 VanDerWaalsContact O-CG 3.32Å; R379-L383 WeakPolarHBondContact O-CG 3.43Å; R379-L383 PolarHBondContact O-N 3.07Å
380	I	90.5	Very high	81.9	Confident	14 Å²	14	61.1 Å²	61.1	7%	0.072	32%	0.315	C	S	.	.	H	α-helix	trans	-57.2	-45.2	177.3	-68.8	165.6	0	0	0	110.2	L277 E338 T376 T377 L382 L383 N384	L277-I380 HydrophobicContact CD1-CG1 4.43Å; E338-I380 HydrophobicContact CG-CD1 3.84Å; E338-I380 HydrophobicContact CG-CG1 4.49Å; T376-I380 HydrophobicContact CG2-CD1 3.62Å; T376-I380 HydrophobicContact CG2-CG1 4.44Å; T376-I380 WeakPolarHBondContact O-CG1 3.47Å; T376-I380 PolarHBondContact O-N 3.13Å; T377-I380 PolarHBondContact O-N 3.03Å; I380-L382 PolarHBondContact O-N 3.44Å; I380-L383 PolarHBondContact O-N 3.02Å; I380-N384 WeakPolarHBondContact CG2-ND2 3.36Å; I380-N384 WeakPolarHBondContact O-CB 3.26Å; I380-N384 PolarHBondContact O-N 2.97Å; I380-N384 PolarHBondContact O-ND2 3.48Å
381	N	89.3	Confident	79.2	Confident	101 Å²	101	64 Å²	64	54%	0.54	33%	0.329	S	S	.	.	H	α-helix	trans	-62.2	-40.4	178	-72.2	-18.5	0	0	0	112.9	T377 R379 G385	T377-N381 WeakPolarHBondContact O-CB 3.38Å; T377-N381 PolarHBondContact O-N 2.91Å; T377-N381 PolarHBondContact O-ND2 3.43Å; R379-N381 VanDerWaalsContact C-N 3.28Å; R379-N381 PolarHBondContact O-N 3.12Å; N381-G385 PolarHBondContact O-N 3.42Å
382	L	90	Very high	76.2	Confident	69 Å²	69	69.3 Å²	69.3	36%	0.361	36%	0.355	S	S	.	.	H	α-helix	trans	-67.2	-42	175.8	-72.1	174	0	0	0	112.2	I321 R378 R379 I380 G385 L386	I321-L382 HydrophobicContact CG1-CB 4.42Å; I321-L382 HydrophobicContact CG2-CB 4.4Å; R378-L382 WeakPolarHBondContact O-CG 3.1Å; R378-L382 PolarHBondContact O-N 3.45Å; R378-L382 VanDerWaalsContact O-N 3.13Å; R379-L382 PolarHBondContact O-N 3.49Å; R379-L382 VanDerWaalsContact O-N 3.16Å; I380-L382 PolarHBondContact O-N 3.44Å; L382-G385 PolarHBondContact O-N 3.17Å; L382-L386 WeakPolarHBondContact O-CG 3.44Å; L382-L386 PolarHBondContact O-N 3.25Å
383	L	88.9	Confident	73.4	Confident	16 Å²	16	71.5 Å²	71.5	8%	0.084	39%	0.386	C	S	.	.	H	α-helix	trans	-62.2	-47.6	176.8	-71.5	168.6	0	0	0	111.2	L277 F313 I321 F322 T336 R379 I380 G385 L386 H387	L277-L383 HydrophobicContact CD1-CD1 4.35Å; L277-L383 HydrophobicContact CD2-CD1 3.84Å; F313-L383 HydrophobicContact CE1-CD2 3.99Å; F313-L383 HydrophobicContact CZ-CD2 3.56Å; I321-L383 HydrophobicContact CG2-CD2 4.25Å; I321-L383 HydrophobicContact CG2-CG 4.28Å; F322-L383 HydrophobicContact CZ-CD2 3.97Å; T336-L383 HydrophobicContact CG2-CD1 3.96Å; T336-L383 HydrophobicContact CG2-CD2 4.39Å; R379-L383 VanDerWaalsContact O-CG 3.32Å; R379-L383 WeakPolarHBondContact O-CG 3.43Å; R379-L383 PolarHBondContact O-N 3.07Å; I380-L383 PolarHBondContact O-N 3.02Å; L383-G385 VanDerWaalsContact C-N 3.32Å; L383-G385 PolarHBondContact O-N 3.31Å; L383-L386 PolarHBondContact O-N 3.36Å; L383-H387 WeakPolarHBondContact O-CB 3.49Å; L383-H387 PolarHBondContact O-N 3.34Å
384	N	82.2	Confident	72.7	Confident	52 Å²	52	71.8 Å²	71.8	28%	0.278	38%	0.383	S	S	.	.	H	α-helix	trans	-64.3	-37.5	177.4	-67.5	-15.1	0	0	0	111.7	I380 H387 R388	I380-N384 WeakPolarHBondContact CG2-ND2 3.36Å; I380-N384 WeakPolarHBondContact O-CB 3.26Å; I380-N384 PolarHBondContact O-N 2.97Å; I380-N384 PolarHBondContact O-ND2 3.48Å; N384-H387 PolarHBondContact O-N 3.2Å; N384-R388 PolarHBondContact O-N 3.43Å
385	G	77.7	Confident	71.7	Confident	33 Å²	33	68.1 Å²	68.1	34%	0.34	36%	0.364	S	S	.	.	H	α-helix	trans	-64.6	-40.2	175.1	0	0	0	0	0	113.3	N381 L382 L383	N381-G385 PolarHBondContact O-N 3.42Å; L382-G385 PolarHBondContact O-N 3.17Å; L383-G385 VanDerWaalsContact C-N 3.32Å; L383-G385 PolarHBondContact O-N 3.31Å
386	L	66.1	Low	70.6	Confident	28 Å²	28	70.3 Å²	70.3	15%	0.147	38%	0.377	C	S	.	.	H	α-helix	trans	-71.7	-37.7	175.1	-77.5	160.9	0	0	0	112.6	F313 I321 L382 L383 R388 M389 H390	F313-L386 HydrophobicContact CE1-CD1 4.17Å; I321-L386 HydrophobicContact CD1-CD1 3.19Å; I321-L386 HydrophobicContact CG1-CD1 3.98Å; L382-L386 WeakPolarHBondContact O-CG 3.44Å; L382-L386 PolarHBondContact O-N 3.25Å; L383-L386 PolarHBondContact O-N 3.36Å; L386-R388 PolarHBondContact O-N 3.41Å; L386-M389 HydrophobicContact CD2-CE 3.77Å; L386-M389 HydrophobicContact CG-CE 4.26Å; L386-M389 WeakPolarHBondContact O-CA 3.47Å; L386-M389 WeakPolarHBondContact O-CB 3.09Å; L386-M389 PolarHBondContact O-N 2.96Å; L386-H390 PolarHBondContact O-CD2 3.2Å; L386-H390 VanDerWaalsContact O-CD2 3.3Å; L386-H390 PolarHBondContact O-N 3Å
387	H	57.7	Low	69.3	Low	48 Å²	48	74.4 Å²	74.4	22%	0.222	40%	0.399	C	S	.	.	H	α-helix	trans	-57.7	-40	177.6	-161.6	31.5	0	0	0	111	N173 L383 N384 M389 H390 M391	N173-H387 PolarHBondContact ND2-NE2 3.34Å; L383-H387 WeakPolarHBondContact O-CB 3.49Å; L383-H387 PolarHBondContact O-N 3.34Å; N384-H387 PolarHBondContact O-N 3.2Å; H387-M389 VanDerWaalsContact C-N 3.28Å; H387-M389 PolarHBondContact O-N 3.35Å; H387-H390 PolarHBondContact O-N 3.24Å; H387-M391 WeakPolarHBondContact O-CB 3.38Å; H387-M391 WeakPolarHBondContact O-CG 3.39Å; H387-M391 PolarHBondContact O-N 3Å
388	R	53.9	Low	67.9	Low	188 Å²	188	74.5 Å²	74.5	71%	0.709	40%	0.396	S	S	*	.	H	α-helix	trans	-66.1	-23.4	172.9	-68.7	179.7	178.3	-175.8	-1.4	114.3	N384 L386 N392	N384-R388 PolarHBondContact O-N 3.43Å; L386-R388 PolarHBondContact O-N 3.41Å; R388-N392 PolarHBondContact O-ND2 3.48Å
389	M	52.2	Low	66.3	Low	121 Å²	121	74.9 Å²	74.9	60%	0.596	41%	0.405	S	S	*	.	H	α-helix	trans	-83.5	-42.4	174.5	-72.3	-170.6	-88.5	0	0	112	L386 H387 M391 N392	L386-M389 HydrophobicContact CD2-CE 3.77Å; L386-M389 HydrophobicContact CG-CE 4.26Å; L386-M389 WeakPolarHBondContact O-CA 3.47Å; L386-M389 WeakPolarHBondContact O-CB 3.09Å; L386-M389 PolarHBondContact O-N 2.96Å; H387-M389 VanDerWaalsContact C-N 3.28Å; H387-M389 PolarHBondContact O-N 3.35Å; M389-M391 PolarHBondContact O-N 3.1Å; M389-N392 PolarHBondContact O-N 3.21Å
390	H	50.2	Low	64.4	Low	87 Å²	87	79.6 Å²	79.6	40%	0.403	43%	0.432	S	S	.	.	H	α-helix	trans	-71.7	-25	179.3	-72.6	-71.7	0	0	0	114	E317 L386 H387 N392	E317-H390 IonicContact OE1-NE2 3.98Å; L386-H390 PolarHBondContact O-CD2 3.2Å; L386-H390 VanDerWaalsContact O-CD2 3.3Å; L386-H390 PolarHBondContact O-N 3Å; H387-H390 PolarHBondContact O-N 3.24Å; H390-N392 VanDerWaalsContact C-N 3.27Å
391	M	39.3	Very low	62.4	Low	72 Å²	72	84.7 Å²	84.7	36%	0.355	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-20.1	172.6	-71.4	-116.7	-121.6	0	0	113.6	T136 H387 M389	T136-M391 VanDerWaalsContact CA-SD 3.59Å; T136-M391 WeakPolarHBondContact CB-SD 3.26Å; T136-M391 HydrophobicContact CG2-SD 3.46Å; T136-M391 WeakPolarHBondContact CG2-SD 3.44Å; H387-M391 WeakPolarHBondContact O-CB 3.38Å; H387-M391 WeakPolarHBondContact O-CG 3.39Å; H387-M391 PolarHBondContact O-N 3Å; M389-M391 PolarHBondContact O-N 3.1Å
392	N	30	Very low	60.2	Low	147 Å²	147	83.3 Å²	83.3	79%	0.786	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-0.5	-179.3	-75.6	-38.5	0	0	0	113.5	R388 M389 H390	R388-N392 PolarHBondContact O-ND2 3.48Å; M389-N392 PolarHBondContact O-N 3.21Å; H390-N392 VanDerWaalsContact C-N 3.27Å
393	A	33.7	Very low	57.4	Low	139 Å²	139	84.6 Å²	84.6	100%	1.149	46%	0.461	S	S	*	.			trans	-102.2	0	177.2	0	0	0	0	0	110.1

Retrieved 393 of 393 residues in 85.5 ms (Link to these results)

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