A0A077ZG92_TRITR Loading...

Kringle-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZG92, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 690 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	36.5	Very low	31.8	Very low	230 Å²	230	135.2 Å²	135.2	100%	1.133	75%	0.752	S	S	*	*				0	123.3	0	-150.8	-173	-66.1	0	0	105.8
2	L	34.9	Very low	31.3	Very low	148 Å²	148	136.1 Å²	136.1	78%	0.775	75%	0.753	S	S	*	*			trans	55.4	124.3	-164.8	-70.5	84.3	0	0	0	115.5
3	Q	31.7	Very low	30.7	Very low	150 Å²	150	136.1 Å²	136.1	70%	0.701	75%	0.75	S	S	*	*			cis	78.9	144.8	41	-67.6	-175.7	-44	0	0	113.3
4	I	33.6	Very low	30.3	Very low	107 Å²	107	136.3 Å²	136.3	55%	0.549	75%	0.748	S	S	.	*			cis	-155.6	137.4	10.7	-125.1	153.1	0	0	0	110.3
5	Y	31.8	Very low	29.8	Very low	203 Å²	203	133.1 Å²	133.1	80%	0.796	74%	0.74	S	S	*	*			trans	47	168.3	142.6	-42.3	174.3	0	0	0	120.3
6	A	31.3	Very low	29.5	Very low	90 Å²	90	136.3 Å²	136.3	74%	0.744	74%	0.744	S	S	*	*			cis	-153.4	149.1	8.1	0	0	0	0	0	112.8
7	A	33.9	Very low	29.2	Very low	88 Å²	88	136.1 Å²	136.1	73%	0.727	74%	0.742	S	S	*	*			trans	-87	-152.9	148.5	0	0	0	0	0	107.8
8	P	35.8	Very low	28.9	Very low	108 Å²	108	135.8 Å²	135.8	70%	0.701	74%	0.739	S	S	*	*			cis	-139.2	-153.6	-11.1	24.3	4.1	0	0	0	113.1
9	L	27.1	Very low	28.7	Very low	149 Å²	149	135.2 Å²	135.2	78%	0.78	74%	0.735	S	S	*	*			trans	74.4	135.3	169.4	-70.8	104.5	0	0	0	116.4
10	C	26.8	Very low	28.5	Very low	103 Å²	103	137.7 Å²	137.7	70%	0.696	74%	0.739	S	S	*	*			cis	-164.9	138.7	42.2	-125.6	0	0	0	0	113.6
11	V	26.3	Very low	28.4	Very low	111 Å²	111	138.1 Å²	138.1	67%	0.673	75%	0.746	S	S	*	*				55.5	108.1	126.4	175.5	0	0	0	0	119.6
12	L	25.4	Very low	27.8	Very low	146 Å²	146	131.9 Å²	131.9	76%	0.764	73%	0.725	S	S	*	*				78.7	129.6	78.2	-110.5	167.5	0	0	0	115.7
13	L	24.1	Very low	27.4	Very low	136 Å²	136	130.6 Å²	130.6	71%	0.712	73%	0.729	S	S	*	*			trans	116.6	125	146.5	-65.8	160.7	0	0	0	120.6
14	L	24.7	Very low	27.1	Very low	139 Å²	139	131.4 Å²	131.4	73%	0.728	73%	0.732	S	S	*	*			trans	77.5	93.1	133.6	-68.7	168.7	0	0	0	122.2
15	S	23.7	Very low	26.9	Very low	88 Å²	88	134.2 Å²	134.2	62%	0.615	75%	0.749	S	S	*	*				58.5	131.4	110.9	68.1	0	0	0	0	122.6
16	F	24.2	Very low	26.5	Very low	185 Å²	185	128.3 Å²	128.3	81%	0.811	75%	0.749	S	S	*	*			trans	41.4	102.6	139.5	-84.6	-92.2	0	0	0	118.6
17	N	25.1	Very low	26.4	Very low	132 Å²	132	131.2 Å²	131.2	71%	0.706	75%	0.752	S	S	*	*				167.5	150.6	101.8	-95	-59.1	0	0	0	114.7
18	L	24.1	Very low	26.2	Very low	132 Å²	132	134.9 Å²	134.9	69%	0.691	76%	0.759	S	S	*	*			trans	55	110.9	141	-63	165.1	0	0	0	121.4
19	N	24.8	Very low	26.2	Very low	124 Å²	124	137.9 Å²	137.9	66%	0.663	76%	0.757	S	S	*	*				82.7	140.1	119.1	-80.5	-9.4	0	0	0	123.7
20	F	24.2	Very low	26.2	Very low	184 Å²	184	134.7 Å²	134.7	81%	0.807	76%	0.76	S	S	*	*			trans	49.1	108.7	149.5	-67	-64	0	0	0	120.3
21	V	25.9	Very low	26.5	Very low	147 Å²	147	135.6 Å²	135.6	89%	0.891	76%	0.762	S	S	*	*				-140.4	144.2	119.1	178.9	0	0	0	0	108.5
22	S	24.9	Very low	26.5	Very low	99 Å²	99	139.5 Å²	139.5	69%	0.692	77%	0.77	S	S	*	*			trans	-83.6	160.6	-179.9	49.7	0	0	0	0	113.5
23	S	26.9	Very low	26.7	Very low	122 Å²	122	142.3 Å²	142.3	85%	0.853	78%	0.776	S	S	*	*			trans	-135.8	117.4	150.4	-177.7	0	0	0	0	107.5
24	E	24.9	Very low	26.8	Very low	166 Å²	166	142.6 Å²	142.6	78%	0.776	78%	0.778	S	S	*	*			trans	-80.3	121.2	-179.3	-62.7	169.4	131.3	0	0	109.6
25	N	28.7	Very low	26.8	Very low	167 Å²	167	147.4 Å²	147.4	89%	0.893	79%	0.787	S	S	*	*			trans	-166.7	125.9	132.7	-95.9	-40	0	0	0	108.5
26	G	24.5	Very low	26.9	Very low	78 Å²	78	148.9 Å²	148.9	80%	0.804	79%	0.787	S	S	*	*			trans	-86.7	136	-166.1	0	0	0	0	0	113.4
27	D	28.3	Very low	26.9	Very low	152 Å²	152	146.1 Å²	146.1	81%	0.813	79%	0.788	S	S	*	*			trans	-134.9	132.3	155.6	-120.8	-29	0	0	0	108.3	Y29	D27-Y29 PolarHBondContact O-N 2.83Å
28	L	29.8	Very low	26.9	Very low	165 Å²	165	145.6 Å²	145.6	86%	0.864	78%	0.777	S	S	*	*	S	Bend	trans	-70.1	11.9	-160.9	-96.7	144.6	0	0	0	116.5
29	Y	36.1	Very low	27	Very low	171 Å²	171	145.1 Å²	145.1	67%	0.671	78%	0.782	S	S	*	*			trans	-137.2	41.2	-165.7	-63.4	-83.1	0	0	0	114.3	D27 V31	D27-Y29 PolarHBondContact O-N 2.83Å; Y29-V31 PolarHBondContact O-N 3.38Å
30	G	26.6	Very low	27.1	Very low	82 Å²	82	149.1 Å²	149.1	85%	0.845	79%	0.789	S	S	*	*			trans	-69.9	80.3	-178.7	0	0	0	0	0	115.6
31	V	32.4	Very low	27.3	Very low	122 Å²	122	146 Å²	146	74%	0.739	79%	0.785	S	S	*	*			trans	-81.5	127.4	172.7	-177.3	0	0	0	0	111	Y29 K33	Y29-V31 PolarHBondContact O-N 3.38Å; V31-K33 PolarHBondContact O-N 3.2Å
32	K	28	Very low	27.2	Very low	192 Å²	192	141.1 Å²	141.1	84%	0.835	76%	0.764	S	S	*	*			trans	-68.8	118.3	177.2	-75.6	-178.6	174.5	177.1	0	111.1	N34	K32-N34 PolarHBondContact O-N 3.15Å
33	K	28.8	Very low	27.3	Very low	206 Å²	206	141.3 Å²	141.3	90%	0.896	76%	0.756	S	S	*	*			trans	-64.2	3.5	-175	-86.8	-175.6	173.2	179.8	0	117.6	V31	V31-K33 PolarHBondContact O-N 3.2Å
34	N	26.2	Very low	27.3	Very low	141 Å²	141	146.8 Å²	146.8	75%	0.754	76%	0.758	S	S	*	*	S	Bend	trans	-104.4	110.3	-174	-67.2	3.1	0	0	0	110.4	K32	K32-N34 PolarHBondContact O-N 3.15Å
35	R	25.8	Very low	27.5	Very low	240 Å²	240	144.8 Å²	144.8	91%	0.906	76%	0.758	S	S	*	*	S	Bend	trans	100.8	103	-170.7	-61.7	164.1	-175.4	-158.1	0.8	112.4
36	L	25.1	Very low	27.3	Very low	119 Å²	119	144.6 Å²	144.6	62%	0.623	76%	0.755	S	S	*	*			trans	163.3	121.8	142.6	-89.6	160.9	0	0	0	109.9	Y38	L36-Y38 HydrophobicContact CB-CD2 4.28Å; L36-Y38 HydrophobicContact CD2-CD2 3.48Å; L36-Y38 VanDerWaalsContact CD2-CD2 3.48Å; L36-Y38 HydrophobicContact CD2-CE2 3.65Å; L36-Y38 HydrophobicContact CG-CD2 4.44Å; L36-Y38 PolarHBondContact O-N 2.78Å
37	P	23	Very low	27.5	Very low	128 Å²	128	148.3 Å²	148.3	83%	0.831	75%	0.751	S	S	*	*			trans	-89.6	77.1	168.5	35	-30.8	0	0	0	109.9
38	Y	26.7	Very low	27.4	Very low	121 Å²	121	148.7 Å²	148.7	48%	0.475	75%	0.748	S	S	.	*	S	Bend	trans	-136.9	145.6	175.1	-77.1	-90.5	0	0	0	110.9	L36 Y40	L36-Y38 HydrophobicContact CB-CD2 4.28Å; L36-Y38 HydrophobicContact CD2-CD2 3.48Å; L36-Y38 VanDerWaalsContact CD2-CD2 3.48Å; L36-Y38 HydrophobicContact CD2-CE2 3.65Å; L36-Y38 HydrophobicContact CG-CD2 4.44Å; L36-Y38 PolarHBondContact O-N 2.78Å; Y38-Y40 PolarHBondContact O-N 2.98Å
39	P	25.4	Very low	27.2	Very low	121 Å²	121	149.8 Å²	149.8	79%	0.786	75%	0.754	S	S	*	*			trans	-69.6	116.2	-177.6	27.6	-33.6	0	0	0	111.4
40	Y	27.8	Very low	26.7	Very low	209 Å²	209	144.9 Å²	144.9	82%	0.82	76%	0.755	S	S	*	*			trans	-82.5	115.2	173.2	175.2	-95.2	0	0	0	110.2	Y38	Y38-Y40 PolarHBondContact O-N 2.98Å
41	V	27.5	Very low	26.6	Very low	119 Å²	119	151 Å²	151	72%	0.721	76%	0.758	S	S	*	*			trans	-96.9	92.8	175.4	-173.9	0	0	0	0	109.4
42	G	24.4	Very low	26.2	Very low	44 Å²	44	151.8 Å²	151.8	45%	0.454	77%	0.768	S	S	.	*	P	Polyproline II helix	trans	-62.6	150.6	-178.5	0	0	0	0	0	113.9
43	I	26.6	Very low	26	Very low	103 Å²	103	148.2 Å²	148.2	53%	0.528	77%	0.767	S	S	.	*	P	Polyproline II helix	trans	-96.1	124.3	-179.4	-51.2	-177.5	0	0	0	109.3	K321	I43-K321 HydrophobicContact CD1-CD 4.34Å; I43-K321 HydrophobicContact CG1-CD 4.32Å
44	R	27.6	Very low	25.8	Very low	237 Å²	237	147.3 Å²	147.3	89%	0.894	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-78.4	129.4	156.5	-91.8	-172.3	172.9	-176.3	-1.3	108.9
45	T	27.9	Very low	25.8	Very low	124 Å²	124	146.1 Å²	146.1	76%	0.761	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-60.1	131.7	179.3	28.7	0	0	0	0	111.6
46	I	25.9	Very low	25.7	Very low	162 Å²	162	141.2 Å²	141.2	83%	0.831	75%	0.752	S	S	*	*			trans	-95.7	100.2	169.7	-59.9	172.2	0	0	0	106.2	E48	I46-E48 PolarHBondContact O-N 3.43Å
47	H	27.5	Very low	25.7	Very low	157 Å²	157	142.9 Å²	142.9	73%	0.727	76%	0.756	S	S	*	*			trans	-83.4	104.9	164.1	-93.6	-71.6	0	0	0	109.5
48	E	26.5	Very low	25.8	Very low	159 Å²	159	143 Å²	143	74%	0.743	74%	0.744	S	S	*	*			trans	26.3	115.2	134.7	-62.8	172.9	147.6	0	0	118.6	I46 G50	I46-E48 PolarHBondContact O-N 3.43Å; E48-G50 PolarHBondContact O-N 3.04Å
49	L	26.4	Very low	25.7	Very low	189 Å²	189	141.7 Å²	141.7	99%	0.99	75%	0.745	S	S	*	*			trans	4.1	100.5	140.8	-65.8	159.9	0	0	0	116.5
50	G	23.6	Very low	25.8	Very low	67 Å²	67	142.5 Å²	142.5	69%	0.691	73%	0.733	S	S	*	*			trans	179.8	117.1	170	0	0	0	0	0	116.2	E48	E48-G50 PolarHBondContact O-N 3.04Å
51	F	24.6	Very low	25.9	Very low	211 Å²	211	140.4 Å²	140.4	93%	0.925	73%	0.728	S	S	*	*			trans	10	130.6	154.6	-71.6	-93.2	0	0	0	120.8	S53	F51-S53 PolarHBondContact O-N 2.79Å
52	C	24.9	Very low	26.2	Very low	139 Å²	139	136 Å²	136	94%	0.939	71%	0.708	S	S	*	*			trans	-59.9	114.3	165.7	-68.4	0	0	0	0	112.5
53	S	24.3	Very low	26.7	Very low	116 Å²	116	142 Å²	142	81%	0.811	72%	0.716	S	S	*	*			trans	-153.2	157	146.4	66.1	0	0	0	0	111.3	F51	F51-S53 PolarHBondContact O-N 2.79Å
54	K	24.9	Very low	27.2	Very low	188 Å²	188	138.6 Å²	138.6	82%	0.817	70%	0.702	S	S	*	*			trans	-48.6	156.4	-172.6	-55	161.4	174.1	175	0	112.7
55	T	25.2	Very low	27.4	Very low	115 Å²	115	134.1 Å²	134.1	71%	0.706	70%	0.701	S	S	*	*				-174.2	150.3	52.6	-0.6	0	0	0	0	112.9
56	L	24.4	Very low	27.5	Very low	138 Å²	138	138 Å²	138	72%	0.723	71%	0.707	S	S	*	*			trans	66.5	133.5	146.7	-57.6	162.9	0	0	0	118.7
57	H	25.4	Very low	28.1	Very low	154 Å²	154	134.4 Å²	134.4	71%	0.713	69%	0.693	S	S	*	*			cis	-145.6	143.7	5.9	-79.7	-82	0	0	0	112.1
58	K	23.4	Very low	28.6	Very low	129 Å²	129	128.6 Å²	128.6	56%	0.561	68%	0.675	S	S	*	*			trans	-153.7	122.8	168.9	-70.2	-142.9	161	-152.9	0	112	Y74 G75	K58-Y74 WeakPolarHBondContact CD-O 3.34Å; K58-Y74 WeakPolarHBondContact CE-O 2.97Å; K58-Y74 WeakPolarHBondContact CG-O 3.44Å; K58-Y74 PolarHBondContact NZ-O 2.84Å; K58-G75 WeakPolarHBondContact CE-O 3.14Å; K58-G75 PolarHBondContact NZ-O 3.15Å
59	N	26.1	Very low	29.1	Very low	94 Å²	94	127.2 Å²	127.2	50%	0.503	67%	0.669	S	S	.	*			trans	-134.7	155.8	167.5	-49.6	-31.8	0	0	0	111.5	S73 Y74	N59-S73 VanDerWaalsContact C-N 3.34Å; N59-S73 CarbonylContact O-C 3.03Å; N59-Y74 VanDerWaalsContact C-CD2 3.5Å; N59-Y74 VanDerWaalsContact C-N 3.27Å; N59-Y74 HydrophobicContact CB-CD2 3.96Å; N59-Y74 HydrophobicContact CB-CE2 4.45Å; N59-Y74 WeakPolarHBondContact O-CA 3.19Å; N59-Y74 WeakPolarHBondContact O-CB 3.38Å; N59-Y74 WeakPolarHBondContact O-CD2 3.23Å; N59-Y74 WeakPolarHBondContact O-CE2 3.14Å; N59-Y74 PolarHBondContact O-N 3.01Å
60	Y	27.3	Very low	29.7	Very low	139 Å²	139	123.5 Å²	123.5	55%	0.545	65%	0.65	S	S	.	*			trans	167.4	100.9	169	-113.4	-40.1	0	0	0	106.8	D72 S73 Y74	Y60-D72 VanDerWaalsContact C-OD1 3.3Å; Y60-D72 PolarHBondContact N-OD1 2.79Å; Y60-D72 CarbonylContact O-C 3.52Å; Y60-D72 WeakPolarHBondContact O-CA 3.27Å; Y60-S73 WeakPolarHBondContact CB-O 3.16Å; Y60-S73 PolarHBondContact O-N 3.05Å; Y60-S73 VanDerWaalsContact O-N 3.13Å; Y60-Y74 HydrophobicContact CD1-CE1 4.02Å; Y60-Y74 HydrophobicContact CD1-CE2 4.21Å; Y60-Y74 AromaticContact CD1-CZ 3.75Å; Y60-Y74 AromaticContact CD2-CD1 3.42Å; Y60-Y74 HydrophobicContact CD2-CD1 3.42Å; Y60-Y74 VanDerWaalsContact CD2-CD1 3.42Å; Y60-Y74 HydrophobicContact CD2-CD2 4.49Å; Y60-Y74 AromaticContact CD2-CE1 3.66Å; Y60-Y74 HydrophobicContact CD2-CE1 3.66Å; Y60-Y74 AromaticContact CD2-CG 3.81Å; Y60-Y74 HydrophobicContact CD2-CG 3.81Å; Y60-Y74 HydrophobicContact CE1-CD1 4.33Å; Y60-Y74 AromaticContact CE1-CE1 3.55Å; Y60-Y74 HydrophobicContact CE1-CE1 3.55Å; Y60-Y74 HydrophobicContact CE1-CE2 4.36Å; Y60-Y74 AromaticContact CE1-CZ 3.47Å; Y60-Y74 VanDerWaalsContact CE1-CZ 3.47Å; Y60-Y74 VanDerWaalsContact CE1-OH 3.27Å; Y60-Y74 WeakPolarHBondContact CE1-OH 3.38Å; Y60-Y74 AromaticContact CE2-CD1 3.22Å; Y60-Y74 HydrophobicContact CE2-CD1 3.22Å; Y60-Y74 AromaticContact CE2-CE1 3.16Å; Y60-Y74 HydrophobicContact CE2-CE1 3.16Å; Y60-Y74 HydrophobicContact CE2-CG 4.1Å; Y60-Y74 AromaticContact CE2-CZ 3.94Å; Y60-Y74 HydrophobicContact CG-CD1 4.07Å; Y60-Y74 HydrophobicContact CG-CD2 4.42Å; Y60-Y74 HydrophobicContact CG-CE1 4.05Å; Y60-Y74 HydrophobicContact CG-CE2 4.29Å; Y60-Y74 HydrophobicContact CG-CG 4.18Å; Y60-Y74 AromaticContact CZ-CD1 3.71Å; Y60-Y74 AromaticContact CZ-CE1 3.07Å; Y60-Y74 AromaticContact CZ-CZ 3.56Å; Y60-Y74 WeakPolarHBondContact OH-CE1 3.43Å
61	K	29.1	Very low	30.1	Very low	164 Å²	164	126 Å²	126	71%	0.713	64%	0.642	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-65.7	130.3	-177.7	-92.1	150.1	-167.5	-159.2	0	112.6	F71 D72	K61-F71 CarbonylContact C-O 3.57Å; K61-F71 WeakPolarHBondContact CA-O 3.33Å; K61-D72 WeakPolarHBondContact CE-OD2 2.98Å; K61-D72 WeakPolarHBondContact CG-OD1 3.37Å; K61-D72 WeakPolarHBondContact CG-OD2 3.4Å; K61-D72 PolarHBondContact N-OD1 3.26Å; K61-D72 VanDerWaalsContact N-OD1 3.14Å
62	G	34.9	Very low	30.3	Very low	28 Å²	28	119.5 Å²	119.5	29%	0.289	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-146.5	161	168	0	0	0	0	0	110	D70 F71	G62-D70 CarbonylContact O-C 3.49Å; G62-D70 WeakPolarHBondContact O-CA 3.39Å; G62-F71 PolarHBondContact N-O 3.35Å; G62-F71 WeakPolarHBondContact O-CD1 3.48Å; G62-F71 WeakPolarHBondContact O-CE1 3.46Å; G62-F71 PolarHBondContact O-N 3.48Å
63	R	33.1	Very low	30.5	Very low	169 Å²	169	116.1 Å²	116.1	64%	0.638	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-111.5	131.2	-173.5	-159.5	166.7	-168.8	173.5	4.6	111.6	V65 G68 E69 D70	R63-V65 PolarHBondContact O-N 3.06Å; R63-G68 VanDerWaalsContact CZ-O 3.27Å; R63-G68 PolarHBondContact NE-O 3.01Å; R63-G68 PolarHBondContact NH2-O 2.95Å; R63-E69 CarbonylContact C-O 3.45Å; R63-E69 WeakPolarHBondContact CA-O 3.43Å; R63-D70 WeakPolarHBondContact CB-OD1 3.47Å; R63-D70 VanDerWaalsContact CD-OD1 3.23Å; R63-D70 WeakPolarHBondContact CD-OD1 3.21Å; R63-D70 WeakPolarHBondContact CG-OD1 3.46Å; R63-D70 IonicContact NE-OD1 4Å
64	S	37.6	Very low	30.5	Very low	31 Å²	31	116 Å²	116	22%	0.217	58%	0.577	C	S	.	*			trans	-64.1	122.2	179	171.1	0	0	0	0	111	F66 T67 G68 E69	S64-F66 PolarHBondContact O-N 3.06Å; S64-F66 PolarHBondContact OG-N 3.15Å; S64-T67 WeakPolarHBondContact CB-OG1 3.25Å; S64-T67 PolarHBondContact OG-N 3.39Å; S64-T67 PolarHBondContact OG-OG1 2.84Å; S64-G68 WeakPolarHBondContact O-CA 3.33Å; S64-G68 PolarHBondContact O-N 2.91Å; S64-E69 WeakPolarHBondContact CB-O 3.4Å; S64-E69 PolarHBondContact N-O 3.14Å
65	V	32.8	Very low	30.7	Very low	144 Å²	144	108.9 Å²	108.9	87%	0.873	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-19.5	176.2	-175.9	0	0	0	0	111.9	R63	R63-V65 PolarHBondContact O-N 3.06Å
66	F	30.1	Very low	30.7	Very low	205 Å²	205	114 Å²	114	90%	0.899	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-26.2	-179.1	-72.1	-82.5	0	0	0	114.4	S64	S64-F66 PolarHBondContact O-N 3.06Å; S64-F66 PolarHBondContact OG-N 3.15Å
67	T	37.2	Very low	30.8	Very low	86 Å²	86	113.9 Å²	113.9	53%	0.528	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120	-14.4	-178.2	63.8	0	0	0	0	114.4	S64 E69	S64-T67 WeakPolarHBondContact CB-OG1 3.25Å; S64-T67 PolarHBondContact OG-N 3.39Å; S64-T67 PolarHBondContact OG-OG1 2.84Å; T67-E69 WeakPolarHBondContact CB-OE2 3.37Å; T67-E69 PolarHBondContact O-N 3.44Å; T67-E69 PolarHBondContact OG1-OE2 2.98Å
68	G	38.9	Very low	31	Very low	35 Å²	35	114.1 Å²	114.1	36%	0.361	56%	0.561	S	S	.	*			trans	70.8	16.6	-175.3	0	0	0	0	0	114.1	R63 S64	R63-G68 VanDerWaalsContact CZ-O 3.27Å; R63-G68 PolarHBondContact NE-O 3.01Å; R63-G68 PolarHBondContact NH2-O 2.95Å; S64-G68 WeakPolarHBondContact O-CA 3.33Å; S64-G68 PolarHBondContact O-N 2.91Å
69	E	36.2	Very low	31.1	Very low	130 Å²	130	113.2 Å²	113.2	61%	0.607	56%	0.559	S	S	*	*			trans	-103.4	146.8	-178.4	-62.7	172.1	130.9	0	0	112.4	R63 S64 T67	R63-E69 CarbonylContact C-O 3.45Å; R63-E69 WeakPolarHBondContact CA-O 3.43Å; S64-E69 WeakPolarHBondContact CB-O 3.4Å; S64-E69 PolarHBondContact N-O 3.14Å; T67-E69 WeakPolarHBondContact CB-OE2 3.37Å; T67-E69 PolarHBondContact O-N 3.44Å; T67-E69 PolarHBondContact OG1-OE2 2.98Å
70	D	38.7	Very low	31.3	Very low	111 Å²	111	115.1 Å²	115.1	59%	0.594	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.8	142.7	-179.4	-56.8	-56.9	0	0	0	112.6	G62 R63	G62-D70 CarbonylContact O-C 3.49Å; G62-D70 WeakPolarHBondContact O-CA 3.39Å; R63-D70 WeakPolarHBondContact CB-OD1 3.47Å; R63-D70 VanDerWaalsContact CD-OD1 3.23Å; R63-D70 WeakPolarHBondContact CD-OD1 3.21Å; R63-D70 WeakPolarHBondContact CG-OD1 3.46Å; R63-D70 IonicContact NE-OD1 4Å
71	F	33.5	Very low	31.2	Very low	119 Å²	119	114.9 Å²	114.9	52%	0.522	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-143.9	153.2	-176	68.1	-98.3	0	0	0	113.2	K61 G62	K61-F71 CarbonylContact C-O 3.57Å; K61-F71 WeakPolarHBondContact CA-O 3.33Å; G62-F71 PolarHBondContact N-O 3.35Å; G62-F71 WeakPolarHBondContact O-CD1 3.48Å; G62-F71 WeakPolarHBondContact O-CE1 3.46Å; G62-F71 PolarHBondContact O-N 3.48Å
72	D	29.1	Very low	31.1	Very low	76 Å²	76	110.8 Å²	110.8	41%	0.406	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.5	136.5	-172.1	-95.5	-63.6	0	0	0	116	Y60 K61	Y60-D72 VanDerWaalsContact C-OD1 3.3Å; Y60-D72 PolarHBondContact N-OD1 2.79Å; Y60-D72 CarbonylContact O-C 3.52Å; Y60-D72 WeakPolarHBondContact O-CA 3.27Å; K61-D72 WeakPolarHBondContact CE-OD2 2.98Å; K61-D72 WeakPolarHBondContact CG-OD1 3.37Å; K61-D72 WeakPolarHBondContact CG-OD2 3.4Å; K61-D72 PolarHBondContact N-OD1 3.26Å; K61-D72 VanDerWaalsContact N-OD1 3.14Å
73	S	28.2	Very low	30.8	Very low	67 Å²	67	117.8 Å²	117.8	47%	0.469	60%	0.604	S	S	.	*			trans	-176.7	131.1	149	47.4	0	0	0	0	121.4	N59 Y60	N59-S73 VanDerWaalsContact C-N 3.34Å; N59-S73 CarbonylContact O-C 3.03Å; Y60-S73 WeakPolarHBondContact CB-O 3.16Å; Y60-S73 PolarHBondContact O-N 3.05Å; Y60-S73 VanDerWaalsContact O-N 3.13Å
74	Y	25.3	Very low	30.6	Very low	113 Å²	113	114.6 Å²	114.6	44%	0.443	60%	0.603	S	S	.	*			trans	-102.2	156.4	-171	-102.9	-67.1	0	0	0	113.8	K58 N59 Y60	K58-Y74 WeakPolarHBondContact CD-O 3.34Å; K58-Y74 WeakPolarHBondContact CE-O 2.97Å; K58-Y74 WeakPolarHBondContact CG-O 3.44Å; K58-Y74 PolarHBondContact NZ-O 2.84Å; N59-Y74 VanDerWaalsContact C-CD2 3.5Å; N59-Y74 VanDerWaalsContact C-N 3.27Å; N59-Y74 HydrophobicContact CB-CD2 3.96Å; N59-Y74 HydrophobicContact CB-CE2 4.45Å; N59-Y74 WeakPolarHBondContact O-CA 3.19Å; N59-Y74 WeakPolarHBondContact O-CB 3.38Å; N59-Y74 WeakPolarHBondContact O-CD2 3.23Å; N59-Y74 WeakPolarHBondContact O-CE2 3.14Å; N59-Y74 PolarHBondContact O-N 3.01Å; Y60-Y74 HydrophobicContact CD1-CE1 4.02Å; Y60-Y74 HydrophobicContact CD1-CE2 4.21Å; Y60-Y74 AromaticContact CD1-CZ 3.75Å; Y60-Y74 AromaticContact CD2-CD1 3.42Å; Y60-Y74 HydrophobicContact CD2-CD1 3.42Å; Y60-Y74 VanDerWaalsContact CD2-CD1 3.42Å; Y60-Y74 HydrophobicContact CD2-CD2 4.49Å; Y60-Y74 AromaticContact CD2-CE1 3.66Å; Y60-Y74 HydrophobicContact CD2-CE1 3.66Å; Y60-Y74 AromaticContact CD2-CG 3.81Å; Y60-Y74 HydrophobicContact CD2-CG 3.81Å; Y60-Y74 HydrophobicContact CE1-CD1 4.33Å; Y60-Y74 AromaticContact CE1-CE1 3.55Å; Y60-Y74 HydrophobicContact CE1-CE1 3.55Å; Y60-Y74 HydrophobicContact CE1-CE2 4.36Å; Y60-Y74 AromaticContact CE1-CZ 3.47Å; Y60-Y74 VanDerWaalsContact CE1-CZ 3.47Å; Y60-Y74 VanDerWaalsContact CE1-OH 3.27Å; Y60-Y74 WeakPolarHBondContact CE1-OH 3.38Å; Y60-Y74 AromaticContact CE2-CD1 3.22Å; Y60-Y74 HydrophobicContact CE2-CD1 3.22Å; Y60-Y74 AromaticContact CE2-CE1 3.16Å; Y60-Y74 HydrophobicContact CE2-CE1 3.16Å; Y60-Y74 HydrophobicContact CE2-CG 4.1Å; Y60-Y74 AromaticContact CE2-CZ 3.94Å; Y60-Y74 HydrophobicContact CG-CD1 4.07Å; Y60-Y74 HydrophobicContact CG-CD2 4.42Å; Y60-Y74 HydrophobicContact CG-CE1 4.05Å; Y60-Y74 HydrophobicContact CG-CE2 4.29Å; Y60-Y74 HydrophobicContact CG-CG 4.18Å; Y60-Y74 AromaticContact CZ-CD1 3.71Å; Y60-Y74 AromaticContact CZ-CE1 3.07Å; Y60-Y74 AromaticContact CZ-CZ 3.56Å; Y60-Y74 WeakPolarHBondContact OH-CE1 3.43Å
75	G	28.3	Very low	30.4	Very low	39 Å²	39	116.2 Å²	116.2	40%	0.402	61%	0.611	S	S	.	*			trans	74.4	153	142.4	0	0	0	0	0	119.6	K58	K58-G75 WeakPolarHBondContact CE-O 3.14Å; K58-G75 PolarHBondContact NZ-O 3.15Å
76	W	26.1	Very low	30.3	Very low	224 Å²	224	112.6 Å²	112.6	85%	0.848	59%	0.587	S	S	*	*			cis	-172.4	170.1	-0.3	-135.6	71.5	0	0	0	107.1
77	R	25.6	Very low	30.3	Very low	134 Å²	134	109.7 Å²	109.7	51%	0.506	59%	0.586	S	S	.	*			cis	-165.7	146.5	-49.9	-170.7	-143	-167.6	156	3.9	107.3	E79	R77-E79 IonicContact CZ-OE2 3.22Å; R77-E79 VanDerWaalsContact CZ-OE2 3.22Å; R77-E79 IonicContact NE-OE2 2.7Å; R77-E79 PolarHBondContact NE-OE2 2.85Å; R77-E79 IonicContact NH2-OE2 2.87Å; R77-E79 PolarHBondContact NH2-OE2 3.38Å
78	N	29.3	Very low	30.1	Very low	159 Å²	159	109.9 Å²	109.9	85%	0.85	59%	0.592	S	S	*	*			trans	-162.3	79.8	145.9	-135.3	33.5	0	0	0	111.5
79	E	26.2	Very low	30.1	Very low	111 Å²	111	111.7 Å²	111.7	52%	0.519	60%	0.596	S	S	.	*			trans	-79.2	145.1	159.7	-66.8	141.1	163.9	0	0	108.5	R77	R77-E79 IonicContact CZ-OE2 3.22Å; R77-E79 VanDerWaalsContact CZ-OE2 3.22Å; R77-E79 IonicContact NE-OE2 2.7Å; R77-E79 PolarHBondContact NE-OE2 2.85Å; R77-E79 IonicContact NH2-OE2 2.87Å; R77-E79 PolarHBondContact NH2-OE2 3.38Å
80	T	28.9	Very low	30.1	Very low	133 Å²	133	112.4 Å²	112.4	82%	0.816	60%	0.603	S	S	*	*			trans	-126.4	98.8	146.2	48.7	0	0	0	0	106.7	A82	T80-A82 PolarHBondContact O-N 2.96Å
81	D	27.1	Very low	29.9	Very low	134 Å²	134	113.4 Å²	113.4	72%	0.717	61%	0.605	S	S	*	*			trans	-58.9	118.7	167.7	-53.4	-64.7	0	0	0	108.4
82	A	26.6	Very low	30.1	Very low	78 Å²	78	116.6 Å²	116.6	65%	0.645	62%	0.621	S	S	*	*			trans	-132.9	89.2	163.6	0	0	0	0	0	105.9	T80 T84	T80-A82 PolarHBondContact O-N 2.96Å; A82-T84 VanDerWaalsContact C-N 3.3Å; A82-T84 PolarHBondContact O-N 2.91Å; A82-T84 PolarHBondContact O-OG1 3.47Å
83	E	28.3	Very low	30.2	Very low	176 Å²	176	118.4 Å²	118.4	82%	0.822	63%	0.63	S	S	*	*			trans	-50.1	101.3	163.2	-67.3	-179.4	145.9	0	0	107.3	V85	E83-V85 HydrophobicContact CB-CG2 4.44Å; E83-V85 PolarHBondContact O-N 2.78Å
84	T	29.8	Very low	30.5	Very low	101 Å²	101	121 Å²	121	62%	0.62	64%	0.639	S	S	*	*			trans	-85.3	69.5	178.3	-0.1	0	0	0	0	107.2	A82 D86	A82-T84 VanDerWaalsContact C-N 3.3Å; A82-T84 PolarHBondContact O-N 2.91Å; A82-T84 PolarHBondContact O-OG1 3.47Å; T84-D86 PolarHBondContact O-N 3.39Å
85	V	31.5	Very low	30.5	Very low	65 Å²	65	122.5 Å²	122.5	39%	0.394	65%	0.654	S	S	.	*			trans	-61.2	123.1	162.8	-176.7	0	0	0	0	106.5	E83 T87	E83-V85 HydrophobicContact CB-CG2 4.44Å; E83-V85 PolarHBondContact O-N 2.78Å; V85-T87 PolarHBondContact O-N 2.69Å; V85-T87 VanDerWaalsContact O-N 3.08Å
86	D	32.2	Very low	30.6	Very low	68 Å²	68	128.6 Å²	128.6	36%	0.364	67%	0.669	S	S	.	*			trans	-67.7	108.2	165.9	-174.5	-26.4	0	0	0	107.5	T84 S88 T89 N90	T84-D86 PolarHBondContact O-N 3.39Å; D86-S88 PolarHBondContact O-N 3.22Å; D86-S88 WeakPolarHBondContact OD1-CA 3.47Å; D86-S88 WeakPolarHBondContact OD1-CB 3.42Å; D86-S88 PolarHBondContact OD1-N 3.02Å; D86-S88 PolarHBondContact OD1-OG 3Å; D86-T89 WeakPolarHBondContact CB-OG1 3.46Å; D86-T89 PolarHBondContact O-N 3.49Å; D86-T89 VanDerWaalsContact O-N 3.13Å; D86-N90 PolarHBondContact O-N 3.05Å
87	T	29.5	Very low	30.6	Very low	144 Å²	144	127.6 Å²	127.6	88%	0.883	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-0.9	-177.6	49.7	0	0	0	0	113.5	V85	V85-T87 PolarHBondContact O-N 2.69Å; V85-T87 VanDerWaalsContact O-N 3.08Å
88	S	32.2	Very low	30.6	Very low	91 Å²	91	132.6 Å²	132.6	64%	0.636	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-22	170.9	74.3	0	0	0	0	114.5	D86	D86-S88 PolarHBondContact O-N 3.22Å; D86-S88 WeakPolarHBondContact OD1-CA 3.47Å; D86-S88 WeakPolarHBondContact OD1-CB 3.42Å; D86-S88 PolarHBondContact OD1-N 3.02Å; D86-S88 PolarHBondContact OD1-OG 3Å
89	T	39.4	Very low	30.4	Very low	73 Å²	73	134 Å²	134	45%	0.448	69%	0.692	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.6	-19.9	-176.5	64.8	0	0	0	0	114.9	D86 E91	D86-T89 WeakPolarHBondContact CB-OG1 3.46Å; D86-T89 PolarHBondContact O-N 3.49Å; D86-T89 VanDerWaalsContact O-N 3.13Å; T89-E91 PolarHBondContact O-N 3.26Å
90	N	35.6	Very low	30.4	Very low	144 Å²	144	137.9 Å²	137.9	77%	0.77	71%	0.71	S	S	*	*			trans	62.2	17.3	-179.1	-150.4	46.3	0	0	0	114.3	D86	D86-N90 PolarHBondContact O-N 3.05Å
91	E	35	Very low	30.2	Very low	133 Å²	133	139.8 Å²	139.8	62%	0.621	71%	0.714	S	S	*	*			trans	-88.9	144.4	177.1	-67.5	-175.9	145.4	0	0	111.9	T89 L93	T89-E91 PolarHBondContact O-N 3.26Å; E91-L93 PolarHBondContact O-N 3.41Å
92	Q	37.3	Very low	30	Very low	185 Å²	185	140.6 Å²	140.6	86%	0.864	71%	0.714	S	S	*	*			trans	-80.3	113	170.7	-73.8	-175.3	-18.2	0	0	110.1	D94	Q92-D94 PolarHBondContact O-N 3.37Å
93	L	31.2	Very low	30	Very low	114 Å²	114	141.2 Å²	141.2	60%	0.597	71%	0.711	S	S	*	*			trans	-74.5	106.4	173.9	-74	163.7	0	0	0	110.9	E91 L95	E91-L93 PolarHBondContact O-N 3.41Å; L93-L95 PolarHBondContact O-N 3.23Å
94	D	34.1	Very low	29.8	Very low	123 Å²	123	140.5 Å²	140.5	66%	0.658	71%	0.712	S	S	*	*			trans	-68.1	97.5	172.9	-172.5	2.1	0	0	0	110.7	Q92 K96	Q92-D94 PolarHBondContact O-N 3.37Å; D94-K96 PolarHBondContact O-N 2.94Å; D94-K96 IonicContact OD2-NZ 3.81Å
95	L	27.2	Very low	29.6	Very low	144 Å²	144	146.2 Å²	146.2	75%	0.754	72%	0.722	S	S	*	*			trans	-77.7	54.8	-176	-83.3	167.2	0	0	0	113.5	L93	L93-L95 PolarHBondContact O-N 3.23Å
96	K	29.4	Very low	29.3	Very low	167 Å²	167	149 Å²	149	73%	0.726	74%	0.743	S	S	*	*			trans	-87.4	-6.3	178.3	-94.7	175.9	-175.5	158.7	0	116.7	D94 R98	D94-K96 PolarHBondContact O-N 2.94Å; D94-K96 IonicContact OD2-NZ 3.81Å; K96-R98 PolarHBondContact O-N 3.13Å
97	F	25.8	Very low	29	Very low	203 Å²	203	154.1 Å²	154.1	89%	0.89	77%	0.77	S	S	*	*			trans	-94.2	38.8	-166.5	-141.5	-93.6	0	0	0	116.5
98	R	26.2	Very low	28.9	Very low	238 Å²	238	153.7 Å²	153.7	90%	0.898	76%	0.757	S	S	*	*			trans	-142.3	34.2	-172.8	-95.3	-167.1	179.6	179.1	2.7	118.4	K96	K96-R98 PolarHBondContact O-N 3.13Å
99	Q	25.3	Very low	28.5	Very low	190 Å²	190	159.4 Å²	159.4	89%	0.888	77%	0.771	S	S	*	*			trans	-122.9	10.8	-178.9	-76.9	-170.6	-14	0	0	118.1	L101	Q99-L101 PolarHBondContact O-N 2.96Å
100	Q	25.2	Very low	27.8	Very low	191 Å²	191	165.7 Å²	165.7	89%	0.893	79%	0.786	S	S	*	*	S	Bend	trans	-91.5	19.1	-178.1	-77.5	-172.4	-21.8	0	0	116.6
101	L	24.7	Very low	27.3	Very low	173 Å²	173	168 Å²	168	91%	0.906	79%	0.792	S	S	*	*	S	Bend	trans	-142	66.6	178.6	-73.3	175.8	0	0	0	114.1	Q99	Q99-L101 PolarHBondContact O-N 2.96Å
102	E	24.3	Very low	26.8	Very low	152 Å²	152	165.2 Å²	165.2	71%	0.71	80%	0.8	S	S	*	*			trans	-141.8	138.4	157.5	-91.6	-153.6	170.8	0	0	108.5
103	P	25.7	Very low	26.2	Very low	90 Å²	90	165.9 Å²	165.9	58%	0.584	81%	0.805	S	S	*	*				-144.6	122.4	80.3	35.1	-16.8	0	0	0	115.1
104	L	23.5	Very low	25.9	Very low	162 Å²	162	162.6 Å²	162.6	85%	0.848	80%	0.799	S	S	*	*			trans	-130.7	61.3	158.3	-74.2	178.1	0	0	0	110.5
105	R	26.4	Very low	25.6	Very low	220 Å²	220	159 Å²	159	83%	0.83	79%	0.786	S	S	*	*			trans	-85.4	127.2	166.2	-70.8	-170.4	179.7	-169.3	0.9	110.1
106	C	24.3	Very low	25.5	Very low	124 Å²	124	161 Å²	161	84%	0.838	79%	0.792	S	S	*	*			trans	-59.6	146.4	174.5	-62.7	0	0	0	0	111.6	E108	C106-E108 PolarHBondContact O-N 2.96Å; C106-E108 VanDerWaalsContact O-N 3.08Å
107	L	26.1	Very low	25.6	Very low	175 Å²	175	161 Å²	161	92%	0.916	80%	0.795	S	S	*	*			trans	-65.1	103.2	174.1	-75	157.2	0	0	0	111
108	E	26.9	Very low	25.8	Very low	135 Å²	135	156.3 Å²	156.3	63%	0.631	78%	0.779	S	S	*	*			trans	-65.8	129.4	150.2	-77.7	-168.2	-175.8	0	0	108.3	C106 R110	C106-E108 PolarHBondContact O-N 2.96Å; C106-E108 VanDerWaalsContact O-N 3.08Å; E108-R110 PolarHBondContact O-N 3.35Å; E108-R110 VanDerWaalsContact O-N 3.08Å; E108-R110 IonicContact OE2-CZ 2.62Å; E108-R110 IonicContact OE2-NE 3.69Å; E108-R110 PolarHBondContact OE2-NE 3.49Å; E108-R110 IonicContact OE2-NH2 3.71Å; E108-R110 PolarHBondContact OE2-NH2 2.89Å
109	K	23.9	Very low	25.9	Very low	212 Å²	212	154.1 Å²	154.1	92%	0.922	77%	0.772	S	S	*	*			trans	-59	111.3	167.2	-77	-179.1	173.1	-178	0	109
110	R	25.9	Very low	26	Very low	204 Å²	204	150.6 Å²	150.6	77%	0.77	76%	0.758	S	S	*	*			trans	-138.7	141.5	163.6	-64.6	-168.6	-170.6	-141.9	2.5	110.7	E108	E108-R110 PolarHBondContact O-N 3.35Å; E108-R110 VanDerWaalsContact O-N 3.08Å; E108-R110 IonicContact OE2-CZ 2.62Å; E108-R110 IonicContact OE2-NE 3.69Å; E108-R110 PolarHBondContact OE2-NE 3.49Å; E108-R110 IonicContact OE2-NH2 3.71Å; E108-R110 PolarHBondContact OE2-NH2 2.89Å
111	E	24.4	Very low	26.2	Very low	192 Å²	192	148.1 Å²	148.1	90%	0.897	75%	0.751	S	S	*	*			trans	-74.4	139.5	-174.6	-66	154.8	152	0	0	110.2
112	G	25.6	Very low	26.5	Very low	75 Å²	75	145.7 Å²	145.7	77%	0.773	74%	0.739	S	S	*	*			trans	-77.6	129.2	174	0	0	0	0	0	110.5	G114	G112-G114 PolarHBondContact O-N 2.85Å
113	M	24.5	Very low	26.6	Very low	199 Å²	199	141 Å²	141	98%	0.98	72%	0.723	S	S	*	*			trans	-73.2	93.6	169.6	-66.3	175.4	179.1	0	0	109.3
114	G	25.4	Very low	26.6	Very low	45 Å²	45	139.4 Å²	139.4	46%	0.464	71%	0.713	S	S	.	*			trans	-73.2	161.2	159.3	0	0	0	0	0	110.5	G112	G112-G114 PolarHBondContact O-N 2.85Å
115	A	25.9	Very low	26.9	Very low	48 Å²	48	136 Å²	136	40%	0.397	70%	0.698	S	S	.	*			trans	-67	152.5	166.7	0	0	0	0	0	109.3	E117 D118	A115-E117 HydrophobicContact CB-CB 4.49Å; A115-E117 PolarHBondContact O-N 2.96Å; A115-E117 VanDerWaalsContact O-N 3.08Å; A115-D118 WeakPolarHBondContact CB-OD2 3.27Å; A115-D118 PolarHBondContact N-OD2 3.09Å; A115-D118 VanDerWaalsContact N-OD2 3.09Å; A115-D118 WeakPolarHBondContact O-CB 3.2Å; A115-D118 PolarHBondContact O-N 3.44Å
116	E	26.8	Very low	26.9	Very low	187 Å²	187	127.5 Å²	127.5	87%	0.874	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-61.1	-20.9	177.6	-158.4	167.7	-160.6	0	0	111.9
117	E	30.8	Very low	27.3	Very low	166 Å²	166	126.4 Å²	126.4	78%	0.776	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-73.1	-25.7	174	-57.6	175.8	-127.5	0	0	113.7	A115 Y119	A115-E117 HydrophobicContact CB-CB 4.49Å; A115-E117 PolarHBondContact O-N 2.96Å; A115-E117 VanDerWaalsContact O-N 3.08Å; E117-Y119 VanDerWaalsContact C-N 3.28Å; E117-Y119 PolarHBondContact O-N 2.99Å
118	D	30.3	Very low	27.3	Very low	104 Å²	104	122.2 Å²	122.2	56%	0.556	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-79	-9.7	-178.2	-68.4	-50.3	0	0	0	113.1	A115 I120	A115-D118 WeakPolarHBondContact CB-OD2 3.27Å; A115-D118 PolarHBondContact N-OD2 3.09Å; A115-D118 VanDerWaalsContact N-OD2 3.09Å; A115-D118 WeakPolarHBondContact O-CB 3.2Å; A115-D118 PolarHBondContact O-N 3.44Å; D118-I120 PolarHBondContact O-N 3.33Å
119	Y	27.1	Very low	27.3	Very low	192 Å²	192	121.1 Å²	121.1	75%	0.753	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-75.8	12.2	-174.3	-106.8	-88.1	0	0	0	115.3	E117	E117-Y119 VanDerWaalsContact C-N 3.28Å; E117-Y119 PolarHBondContact O-N 2.99Å
120	I	27.2	Very low	27.8	Very low	116 Å²	116	122 Å²	122	60%	0.595	62%	0.619	S	S	*	*	S	Bend	trans	-88.1	125.7	178.8	-56.5	-179.3	0	0	0	109.9	D118 N122 S123	D118-I120 PolarHBondContact O-N 3.33Å; I120-N122 PolarHBondContact O-N 2.74Å; I120-S123 PolarHBondContact O-N 3.15Å; I120-S123 PolarHBondContact O-OG 3.02Å; I120-S123 VanDerWaalsContact O-OG 3.09Å
121	N	31.4	Very low	27.8	Very low	140 Å²	140	118.3 Å²	118.3	75%	0.749	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	12.8	-173	-73.8	-77	0	0	0	116.8
122	N	29.6	Very low	27.9	Very low	122 Å²	122	117.3 Å²	117.3	65%	0.652	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.7	9.5	-174.5	-69.5	-44	0	0	0	114	I120 C124	I120-N122 PolarHBondContact O-N 2.74Å; N122-C124 PolarHBondContact O-N 2.9Å; N122-C124 VanDerWaalsContact O-N 3.09Å
123	S	26.6	Very low	27.9	Very low	53 Å²	53	118.3 Å²	118.3	37%	0.371	60%	0.599	S	S	.	*			trans	-62.1	111.8	-173.8	-57.3	0	0	0	0	112.6	I120	I120-S123 PolarHBondContact O-N 3.15Å; I120-S123 PolarHBondContact O-OG 3.02Å; I120-S123 VanDerWaalsContact O-OG 3.09Å
124	C	26.9	Very low	28.1	Very low	56 Å²	56	109.5 Å²	109.5	38%	0.378	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.5	120.9	174.4	-66.4	0	0	0	0	109.5	N122 P126 W135 F136	N122-C124 PolarHBondContact O-N 2.9Å; N122-C124 VanDerWaalsContact O-N 3.09Å; C124-P126 WeakPolarHBondContact O-CD 3.14Å; C124-W135 HydrophobicContact CB-CB 4.36Å; C124-W135 HydrophobicContact CB-CD2 4.41Å; C124-W135 HydrophobicContact CB-CE3 3.66Å; C124-W135 HydrophobicContact CB-CZ3 4.35Å; C124-F136 WeakPolarHBondContact CA-O 3.33Å
125	V	28.4	Very low	28.3	Very low	90 Å²	90	115.3 Å²	115.3	55%	0.545	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.5	118.5	179.1	-177.3	0	0	0	0	109.6	W135 F136	V125-W135 WeakPolarHBondContact O-CA 3.47Å; V125-F136 PolarHBondContact N-O 2.92Å; V125-F136 PolarHBondContact O-N 3.31Å
126	P	27.2	Very low	28.5	Very low	42 Å²	42	118.8 Å²	118.8	27%	0.273	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.3	137.1	176.3	30.2	-32.1	0	0	0	111.1	C124 G134 W135 H584	C124-P126 WeakPolarHBondContact O-CD 3.14Å; P126-G134 CarbonylContact C-O 3.56Å; P126-G134 VanDerWaalsContact CA-O 3.29Å; P126-G134 WeakPolarHBondContact CA-O 3.42Å; P126-W135 HydrophobicContact CB-CD2 4.13Å; P126-W135 HydrophobicContact CB-CE3 3.78Å; P126-W135 HydrophobicContact CB-CH2 4.16Å; P126-W135 HydrophobicContact CB-CZ2 4.45Å; P126-W135 HydrophobicContact CB-CZ3 3.81Å; P126-W135 HydrophobicContact CG-CE3 4.25Å; P126-W135 HydrophobicContact CG-CH2 4.4Å; P126-W135 HydrophobicContact CG-CZ3 3.92Å; P126-H584 PolarHBondContact O-CE1 2.72Å; P126-H584 VanDerWaalsContact O-CE1 3.29Å
127	Y	32.7	Very low	28.6	Very low	101 Å²	101	114.8 Å²	114.8	40%	0.396	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.8	152.2	171.4	72.1	-85.2	0	0	0	110.7	V133 G134 F136	Y127-V133 WeakPolarHBondContact O-CA 3.39Å; Y127-G134 WeakPolarHBondContact CD1-O 3.36Å; Y127-G134 PolarHBondContact N-O 2.96Å; Y127-G134 PolarHBondContact O-N 3.21Å; Y127-F136 HydrophobicContact CD1-CD2 4.23Å; Y127-F136 AromaticContact CE1-CD2 3.76Å; Y127-F136 HydrophobicContact CE1-CD2 3.76Å; Y127-F136 HydrophobicContact CE1-CE2 4.31Å
128	M	26.4	Very low	28.7	Very low	87 Å²	87	111.1 Å²	111.1	43%	0.429	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.6	-178.6	-157.3	-176.9	-49.2	0	0	110.5	Y132 V133	M128-Y132 CarbonylContact C-O 3.36Å; M128-Y132 VanDerWaalsContact CA-O 3.27Å; M128-Y132 WeakPolarHBondContact CA-O 3.29Å; M128-Y132 WeakPolarHBondContact CG-O 3.49Å; M128-V133 HydrophobicContact CG-CG2 4.11Å
129	F	26.6	Very low	28.6	Very low	113 Å²	113	113.7 Å²	113.7	50%	0.496	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.6	105.7	175.8	-140.4	-95.4	0	0	0	110	T131 Y132	F129-T131 PolarHBondContact O-N 3.44Å; F129-Y132 PolarHBondContact N-O 3.46Å; F129-Y132 PolarHBondContact O-N 2.95Å
130	R	33.2	Very low	28.8	Very low	230 Å²	230	108.8 Å²	108.8	87%	0.868	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	50	-89.1	-167.5	-61.9	-172.8	-176.2	-171.5	4.7	113.5
131	T	26	Very low	29.3	Very low	126 Å²	126	107 Å²	107	77%	0.773	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	2	-175.4	50	0	0	0	0	113.6	F129	F129-T131 PolarHBondContact O-N 3.44Å
132	Y	26.4	Very low	29.6	Very low	171 Å²	171	105.5 Å²	105.5	67%	0.671	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.2	136.3	-179.6	-67.3	-88.6	0	0	0	111.1	M128 F129	M128-Y132 CarbonylContact C-O 3.36Å; M128-Y132 VanDerWaalsContact CA-O 3.27Å; M128-Y132 WeakPolarHBondContact CA-O 3.29Å; M128-Y132 WeakPolarHBondContact CG-O 3.49Å; F129-Y132 PolarHBondContact N-O 3.46Å; F129-Y132 PolarHBondContact O-N 2.95Å
133	V	27.1	Very low	30.2	Very low	97 Å²	97	107.1 Å²	107.1	59%	0.588	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.5	123.7	167.9	179.9	0	0	0	0	107.5	Y127 M128	Y127-V133 WeakPolarHBondContact O-CA 3.39Å; M128-V133 HydrophobicContact CG-CG2 4.11Å
134	G	27.8	Very low	30.8	Very low	13 Å²	13	111.1 Å²	111.1	13%	0.134	57%	0.571	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.7	168	177	0	0	0	0	0	111.7	P126 Y127	P126-G134 CarbonylContact C-O 3.56Å; P126-G134 VanDerWaalsContact CA-O 3.29Å; P126-G134 WeakPolarHBondContact CA-O 3.42Å; Y127-G134 WeakPolarHBondContact CD1-O 3.36Å; Y127-G134 PolarHBondContact N-O 2.96Å; Y127-G134 PolarHBondContact O-N 3.21Å
135	W	29	Very low	31.1	Very low	168 Å²	168	116.4 Å²	116.4	64%	0.636	58%	0.584	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-129.8	140	177.6	-59.5	84.5	0	0	0	109.6	C124 V125 P126	C124-W135 HydrophobicContact CB-CB 4.36Å; C124-W135 HydrophobicContact CB-CD2 4.41Å; C124-W135 HydrophobicContact CB-CE3 3.66Å; C124-W135 HydrophobicContact CB-CZ3 4.35Å; V125-W135 WeakPolarHBondContact O-CA 3.47Å; P126-W135 HydrophobicContact CB-CD2 4.13Å; P126-W135 HydrophobicContact CB-CE3 3.78Å; P126-W135 HydrophobicContact CB-CH2 4.16Å; P126-W135 HydrophobicContact CB-CZ2 4.45Å; P126-W135 HydrophobicContact CB-CZ3 3.81Å; P126-W135 HydrophobicContact CG-CE3 4.25Å; P126-W135 HydrophobicContact CG-CH2 4.4Å; P126-W135 HydrophobicContact CG-CZ3 3.92Å
136	F	30.6	Very low	31.2	Very low	120 Å²	120	115.2 Å²	115.2	53%	0.526	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.4	139.9	171.6	-113.7	-82.9	0	0	0	111.5	C124 V125 Y127	C124-F136 WeakPolarHBondContact CA-O 3.33Å; V125-F136 PolarHBondContact N-O 2.92Å; V125-F136 PolarHBondContact O-N 3.31Å; Y127-F136 HydrophobicContact CD1-CD2 4.23Å; Y127-F136 AromaticContact CE1-CD2 3.76Å; Y127-F136 HydrophobicContact CE1-CD2 3.76Å; Y127-F136 HydrophobicContact CE1-CE2 4.31Å
137	L	28.5	Very low	31.5	Very low	104 Å²	104	119.5 Å²	119.5	55%	0.545	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.6	126.6	172.5	-110.9	148.1	0	0	0	109.4	L139	L137-L139 PolarHBondContact O-N 3.37Å
138	S	32.7	Very low	31.5	Very low	88 Å²	88	119.9 Å²	119.9	62%	0.615	63%	0.625	S	S	*	*			trans	-80.8	112.7	178.4	-174.3	0	0	0	0	111.4	A140	S138-A140 PolarHBondContact O-N 3.47Å
139	L	29.7	Very low	31.7	Very low	159 Å²	159	125.7 Å²	125.7	83%	0.832	65%	0.649	S	S	*	*			trans	-95.5	59.5	177.9	-67.4	175.3	0	0	0	111.7	L137 N141	L137-L139 PolarHBondContact O-N 3.37Å; L139-N141 PolarHBondContact O-N 3.22Å; L139-N141 VanDerWaalsContact O-N 3.16Å
140	A	31.2	Very low	31.9	Very low	88 Å²	88	129.1 Å²	129.1	73%	0.727	66%	0.663	S	S	*	*			trans	-76.2	7.3	-173.3	0	0	0	0	0	115.8	S138	S138-A140 PolarHBondContact O-N 3.47Å
141	N	37.5	Very low	31.7	Very low	79 Å²	79	126.6 Å²	126.6	42%	0.422	66%	0.659	S	S	.	*			trans	-145.5	76.8	-179	-154.4	-28.1	0	0	0	114.3	L139 N143 K144	L139-N141 PolarHBondContact O-N 3.22Å; L139-N141 VanDerWaalsContact O-N 3.16Å; N141-N143 PolarHBondContact O-N 2.97Å; N141-N143 VanDerWaalsContact O-N 3.12Å; N141-N143 PolarHBondContact OD1-N 2.95Å; N141-K144 HydrophobicContact CB-CB 4.23Å; N141-K144 PolarHBondContact O-N 3.11Å; N141-K144 PolarHBondContact OD1-N 3.38Å
142	P	36.9	Very low	31.9	Very low	109 Å²	109	128.2 Å²	128.2	71%	0.708	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-11.1	179.7	27.4	-35.7	0	0	0	114.4
143	N	42	Very low	31.9	Very low	155 Å²	155	126.2 Å²	126.2	83%	0.829	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-3.2	-177.3	-65.2	-14.1	0	0	0	113.5	N141	N141-N143 PolarHBondContact O-N 2.97Å; N141-N143 VanDerWaalsContact O-N 3.12Å; N141-N143 PolarHBondContact OD1-N 2.95Å
144	K	38.8	Very low	31.9	Very low	138 Å²	138	127.4 Å²	127.4	60%	0.6	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-15.4	-177.2	-162.1	174.3	-176.7	-176.6	0	113.9	N141	N141-K144 HydrophobicContact CB-CB 4.23Å; N141-K144 PolarHBondContact O-N 3.11Å; N141-K144 PolarHBondContact OD1-N 3.38Å
145	Y	33.5	Very low	31.7	Very low	167 Å²	167	134.5 Å²	134.5	66%	0.655	71%	0.71	S	S	*	*	S	Bend	trans	-125.2	117.1	179.4	-58.7	-77.9	0	0	0	108.5
146	G	32.1	Very low	31.6	Very low	65 Å²	65	135.7 Å²	135.7	67%	0.67	72%	0.719	S	S	*	*			trans	-67.9	-169.4	-174.5	0	0	0	0	0	114.6	P148	G146-P148 WeakPolarHBondContact O-CD 3.37Å
147	D	32.2	Very low	31.3	Very low	131 Å²	131	135.4 Å²	135.4	70%	0.701	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-77.3	8.6	-161.8	-128.9	-10.7	0	0	0	120.5	F149	D147-F149 PolarHBondContact O-N 2.65Å
148	P	33.3	Very low	31.1	Very low	109 Å²	109	136.6 Å²	136.6	71%	0.708	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-68.4	-27	-177.8	-21.5	33.4	0	0	0	116.2	G146 K150	G146-P148 WeakPolarHBondContact O-CD 3.37Å; P148-K150 VanDerWaalsContact C-N 3.26Å; P148-K150 PolarHBondContact O-N 2.78Å; P148-K150 VanDerWaalsContact O-N 3.15Å
149	F	29.5	Very low	30.6	Very low	210 Å²	210	136.7 Å²	136.7	92%	0.921	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-77.4	0.6	-165	-109.6	-84.5	0	0	0	116	D147	D147-F149 PolarHBondContact O-N 2.65Å
150	K	31.6	Very low	30.4	Very low	184 Å²	184	136.1 Å²	136.1	80%	0.8	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-91.4	-0.7	-177.2	-88.7	177.5	-179.8	163.6	0	115.7	P148	P148-K150 VanDerWaalsContact C-N 3.26Å; P148-K150 PolarHBondContact O-N 2.78Å; P148-K150 VanDerWaalsContact O-N 3.15Å
151	K	29.2	Very low	30	Very low	177 Å²	177	138.4 Å²	138.4	77%	0.77	76%	0.756	S	S	*	*	S	Bend	trans	-101.5	-15.8	-157.1	-138.9	174.9	-177.4	179.5	0	118.6
152	D	30.1	Very low	29.5	Very low	160 Å²	160	140.1 Å²	140.1	86%	0.856	77%	0.774	S	S	*	*	S	Bend	trans	-123	17.6	-163.8	-87.5	-31.1	0	0	0	117.4
153	C	26.8	Very low	29	Very low	130 Å²	130	138.8 Å²	138.8	88%	0.878	78%	0.781	S	S	*	*			trans	-103.1	25.3	-179.9	-71.5	0	0	0	0	115.1
154	T	26.2	Very low	28.3	Very low	122 Å²	122	141.6 Å²	141.6	75%	0.748	79%	0.785	S	S	*	*	S	Bend	trans	-100.8	-4.5	-170.1	37.1	0	0	0	0	116.5
155	E	25	Very low	27.7	Very low	161 Å²	161	145.1 Å²	145.1	75%	0.752	80%	0.795	S	S	*	*	S	Bend	trans	-135.9	137	-176.5	-62.5	-169	172.8	0	0	114.2
156	K	27	Very low	27.4	Very low	194 Å²	194	145.8 Å²	145.8	84%	0.843	80%	0.797	S	S	*	*			trans	89.2	88.2	169.5	-56.3	165	-170.8	169.9	0	117.2
157	V	23.5	Very low	27.1	Very low	114 Å²	114	148.3 Å²	148.3	69%	0.691	80%	0.802	S	S	*	*			trans	-72.8	134.5	156.4	175.8	0	0	0	0	109.5	L197	V157-L197 HydrophobicContact CG2-CD1 3.43Å; V157-L197 VanDerWaalsContact CG2-CD1 3.43Å
158	C	24.6	Very low	26.9	Very low	129 Å²	129	143.5 Å²	143.5	87%	0.872	78%	0.778	S	S	*	*			trans	-145.5	126.5	164.2	-84.3	0	0	0	0	109.8
159	A	22.4	Very low	26.6	Very low	89 Å²	89	142.5 Å²	142.5	74%	0.736	77%	0.772	S	S	*	*			trans	-128.8	154.8	169.6	0	0	0	0	0	108.7
160	V	24.1	Very low	26.6	Very low	147 Å²	147	137.3 Å²	137.3	89%	0.891	76%	0.759	S	S	*	*			trans	173.1	146.9	131.7	149.9	0	0	0	0	111.2
161	V	23.9	Very low	26.6	Very low	136 Å²	136	134.6 Å²	134.6	82%	0.824	75%	0.752	S	S	*	*			trans	-76.4	160.4	-178.9	178	0	0	0	0	111.8
162	S	26.5	Very low	27.1	Very low	116 Å²	116	129.5 Å²	129.5	81%	0.811	75%	0.75	S	S	*	*	S	Bend	trans	93.3	74.3	166.7	-151	0	0	0	0	118.2
163	G	27.1	Very low	27.3	Very low	81 Å²	81	131.4 Å²	131.4	84%	0.835	75%	0.753	S	S	*	*	S	Bend		92.1	6.5	127.4	0	0	0	0	0	120.6
164	K	27	Very low	27.5	Very low	214 Å²	214	131.3 Å²	131.3	93%	0.93	74%	0.744	S	S	*	*			trans	-133.1	156	173.4	-67.8	-172.2	179.6	178	0	113.4
165	R	25.9	Very low	27.7	Very low	211 Å²	211	134.5 Å²	134.5	80%	0.796	74%	0.743	S	S	*	*			trans	-92.1	135.6	-154.9	-81.8	178.4	172.4	-174.3	-0.9	116.1
166	Y	28	Very low	28	Very low	181 Å²	181	128.8 Å²	128.8	71%	0.71	72%	0.72	S	S	*	*			trans	66.2	148.7	155.9	-54.5	-51.3	0	0	0	117
167	P	26.3	Very low	28.1	Very low	118 Å²	118	124.6 Å²	124.6	77%	0.766	71%	0.711	S	S	*	*			cis	-132.5	177.8	40.9	41.5	-23.7	0	0	0	117.8
168	T	27	Very low	28.4	Very low	31 Å²	31	124.2 Å²	124.2	19%	0.19	71%	0.709	C	S	.	*	P	Polyproline II helix	trans	-94	146.5	-168.6	50.9	0	0	0	0	115.3	R175 S176 T177	T168-R175 HydrophobicContact CG2-CB 4.34Å; T168-R175 WeakPolarHBondContact OG1-CB 3.31Å; T168-R175 VanDerWaalsContact OG1-CD 3.23Å; T168-R175 WeakPolarHBondContact OG1-CD 3.22Å; T168-R175 WeakPolarHBondContact OG1-CG 3.31Å; T168-S176 CarbonylContact C-O 3.55Å; T168-S176 WeakPolarHBondContact CA-O 3.43Å; T168-S176 WeakPolarHBondContact CB-O 3.48Å; T168-S176 WeakPolarHBondContact CG2-O 3.41Å; T168-T177 HydrophobicContact CG2-CG2 3.64Å
169	C	27.8	Very low	28.4	Very low	87 Å²	87	123.4 Å²	123.4	59%	0.588	70%	0.702	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.6	135.4	170.1	-68.6	0	0	0	0	111.6	S176	C169-S176 PolarHBondContact N-O 3.44Å; C169-S176 VanDerWaalsContact N-O 3.15Å; C169-S176 WeakPolarHBondContact O-CB 3.21Å; C169-S176 PolarHBondContact O-N 2.62Å
170	P	29.1	Very low	28.5	Very low	101 Å²	101	124.5 Å²	124.5	66%	0.656	70%	0.703	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.5	132.2	175	29.7	-33	0	0	0	111.5	D174	P170-D174 CarbonylContact C-O 3.53Å; P170-D174 WeakPolarHBondContact CA-O 3.32Å
171	I	31.6	Very low	28.6	Very low	128 Å²	128	123.4 Å²	123.4	66%	0.656	70%	0.697	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.4	85.6	165.6	-54.3	-179.9	0	0	0	105.8	D174	I171-D174 PolarHBondContact N-O 3.41Å
172	G	40.2	Very low	28.8	Very low	69 Å²	69	123.9 Å²	123.9	71%	0.711	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.5	-137.8	-168	0	0	0	0	0	112	D174	G172-D174 PolarHBondContact O-N 2.95Å
173	Q	33.1	Very low	28.7	Very low	200 Å²	200	126.3 Å²	126.3	94%	0.935	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-12.7	-179.7	-73.4	-174.6	-23.9	0	0	113.8
174	D	32.2	Very low	28.5	Very low	129 Å²	129	127.1 Å²	127.1	69%	0.69	68%	0.677	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.6	159.8	-176.7	-75.4	-56.3	0	0	0	114	P170 I171 G172	P170-D174 CarbonylContact C-O 3.53Å; P170-D174 WeakPolarHBondContact CA-O 3.32Å; I171-D174 PolarHBondContact N-O 3.41Å; G172-D174 PolarHBondContact O-N 2.95Å
175	R	29.4	Very low	28.4	Very low	189 Å²	189	125 Å²	125	71%	0.713	67%	0.671	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-113.3	112.5	-163.1	-95.5	-178.1	175.5	-168.6	3.8	112.3	T168	T168-R175 HydrophobicContact CG2-CB 4.34Å; T168-R175 WeakPolarHBondContact OG1-CB 3.31Å; T168-R175 VanDerWaalsContact OG1-CD 3.23Å; T168-R175 WeakPolarHBondContact OG1-CD 3.22Å; T168-R175 WeakPolarHBondContact OG1-CG 3.31Å
176	S	31	Very low	28.4	Very low	40 Å²	40	120.7 Å²	120.7	28%	0.28	66%	0.659	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.8	130	-176.8	-178.3	0	0	0	0	114.6	T168 C169	T168-S176 CarbonylContact C-O 3.55Å; T168-S176 WeakPolarHBondContact CA-O 3.43Å; T168-S176 WeakPolarHBondContact CB-O 3.48Å; T168-S176 WeakPolarHBondContact CG2-O 3.41Å; C169-S176 PolarHBondContact N-O 3.44Å; C169-S176 VanDerWaalsContact N-O 3.15Å; C169-S176 WeakPolarHBondContact O-CB 3.21Å; C169-S176 PolarHBondContact O-N 2.62Å
177	T	30.5	Very low	28.4	Very low	107 Å²	107	121.2 Å²	121.2	66%	0.656	66%	0.661	S	S	*	*			trans	-90.7	8.8	-164.9	45.3	0	0	0	0	116.8	T168	T168-T177 HydrophobicContact CG2-CG2 3.64Å
178	V	28.6	Very low	28.5	Very low	105 Å²	105	123.6 Å²	123.6	64%	0.636	66%	0.662	S	S	*	*			trans	-110	123.5	-165.3	-169.5	0	0	0	0	112.9
179	P	25.4	Very low	28.5	Very low	112 Å²	112	132.1 Å²	132.1	73%	0.727	69%	0.691	S	S	*	*			trans	-80.4	153.8	174.8	32.7	-34.4	0	0	0	113
180	C	24.6	Very low	28.4	Very low	113 Å²	113	135 Å²	135	76%	0.764	71%	0.706	S	S	*	*			trans	-93.1	164.7	-174.9	-61	0	0	0	0	114.5
181	V	26.4	Very low	28.2	Very low	124 Å²	124	134.6 Å²	134.6	75%	0.752	71%	0.705	S	S	*	*			trans	64.1	150.3	164.2	-91.7	0	0	0	0	118.4
182	H	27.1	Very low	28.2	Very low	146 Å²	146	135.4 Å²	135.4	68%	0.676	71%	0.71	S	S	*	*			cis	-141.8	151.1	10.5	-115.7	-73.9	0	0	0	111.8
183	F	23.7	Very low	27.5	Very low	167 Å²	167	134.5 Å²	134.5	73%	0.732	69%	0.692	S	S	*	*			trans	-86.2	127.6	167.5	-96.7	-108.8	0	0	0	111
184	C	24.1	Very low	27.4	Very low	97 Å²	97	127.4 Å²	127.4	66%	0.655	67%	0.672	S	S	*	*			trans	-179.1	96.8	154.8	-98	0	0	0	0	110.7
185	E	23.9	Very low	27.4	Very low	171 Å²	171	124 Å²	124	80%	0.799	65%	0.652	S	S	*	*			trans	179.7	105.5	159.7	-110.3	169	-155.7	0	0	109.4
186	H	27.4	Very low	27.2	Very low	119 Å²	119	121.6 Å²	121.6	55%	0.551	65%	0.653	S	S	*	*	S	Bend	trans	178.2	-8.6	148.6	-111.9	-68.5	0	0	0	116.3	P632	H186-P632 WeakPolarHBondContact NE2-CB 3.47Å
187	Y	27.6	Very low	27	Very low	193 Å²	193	125.9 Å²	125.9	76%	0.757	67%	0.672	S	S	*	*	S	Bend	trans	-126.2	147.6	177	-68.8	-82.3	0	0	0	111.4	W189	Y187-W189 PolarHBondContact O-N 2.93Å
188	H	27.8	Very low	26.8	Very low	168 Å²	168	123.2 Å²	123.2	78%	0.778	65%	0.653	S	S	*	*	S	Bend	trans	-70.4	61.8	-176.6	-73.8	-102.3	0	0	0	113.3	V677	H188-V677 VanDerWaalsContact CE1-CG2 3.44Å; H188-V677 WeakPolarHBondContact CE1-CG2 3.03Å
189	W	26.3	Very low	26.8	Very low	209 Å²	209	126.3 Å²	126.3	79%	0.792	66%	0.658	S	S	*	*			trans	-124.1	122.1	177.7	-74.7	50.7	0	0	0	108.6	Y187 C191	Y187-W189 PolarHBondContact O-N 2.93Å; W189-C191 PolarHBondContact O-N 3.09Å
190	T	26.7	Very low	27.2	Very low	149 Å²	149	128.6 Å²	128.6	91%	0.914	66%	0.659	S	S	*	*			trans	-69	92.5	169.2	43.4	0	0	0	0	109.8	D192	T190-D192 PolarHBondContact O-N 3.25Å; T190-D192 VanDerWaalsContact O-N 3.13Å
191	C	25.6	Very low	27.6	Very low	92 Å²	92	130.3 Å²	130.3	62%	0.622	65%	0.651	S	S	*	*			trans	-78.4	83.4	167.1	-67.3	0	0	0	0	110.3	W189	W189-C191 PolarHBondContact O-N 3.09Å
192	D	29.7	Very low	27.8	Very low	145 Å²	145	130.8 Å²	130.8	78%	0.775	64%	0.64	S	S	*	*			trans	-112.8	107.4	146.8	178.4	4.2	0	0	0	108.8	T190 G194	T190-D192 PolarHBondContact O-N 3.25Å; T190-D192 VanDerWaalsContact O-N 3.13Å; D192-G194 PolarHBondContact OD1-N 2.96Å
193	P	26	Very low	28.2	Very low	50 Å²	50	129.7 Å²	129.7	33%	0.325	63%	0.633	S	S	.	*			trans	-120.8	146.9	139	23.1	-5.3	0	0	0	109	E195 K206	P193-E195 HydrophobicContact CB-CB 3.8Å; P193-E195 HydrophobicContact CB-CG 4.11Å; P193-E195 HydrophobicContact CG-CB 4Å; P193-E195 CarbonylContact O-C 3.56Å; P193-E195 PolarHBondContact O-N 3.05Å; P193-K206 HydrophobicContact CB-CD 3.88Å
194	G	30.9	Very low	28.6	Very low	51 Å²	51	131 Å²	131	53%	0.526	63%	0.633	S	S	.	*	S	Bend	trans	-58.1	11.5	150	0	0	0	0	0	114.9	D192 L198	D192-G194 PolarHBondContact OD1-N 2.96Å; G194-L198 WeakPolarHBondContact O-CD2 3.43Å; G194-L198 VanDerWaalsContact O-CG 3.25Å; G194-L198 WeakPolarHBondContact O-CG 3.27Å
195	E	32.9	Very low	28.7	Very low	58 Å²	58	132.4 Å²	132.4	27%	0.271	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.8	124.9	155.7	-62.9	169.1	-145.2	0	0	106.1	P193 L198 K206	P193-E195 HydrophobicContact CB-CB 3.8Å; P193-E195 HydrophobicContact CB-CG 4.11Å; P193-E195 HydrophobicContact CG-CB 4Å; P193-E195 CarbonylContact O-C 3.56Å; P193-E195 PolarHBondContact O-N 3.05Å; E195-L198 HydrophobicContact CG-CD1 3.75Å; E195-L198 HydrophobicContact CG-CG 4.12Å; E195-K206 VanDerWaalsContact N-NZ 3.18Å; E195-K206 IonicContact OE1-NZ 3.99Å
196	L	24.6	Very low	28.9	Very low	138 Å²	138	127.4 Å²	127.4	72%	0.723	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn		-136.4	65.4	57.6	-76	156.6	0	0	0	112.5
197	L	27.4	Very low	29	Very low	130 Å²	130	129.9 Å²	129.9	68%	0.681	62%	0.615	S	S	*	*	S	Bend	trans	-158.3	44.7	155.2	-100.9	-178.5	0	0	0	112.4	V157	V157-L197 HydrophobicContact CG2-CD1 3.43Å; V157-L197 VanDerWaalsContact CG2-CD1 3.43Å
198	L	26.8	Very low	28.8	Very low	50 Å²	50	128.4 Å²	128.4	26%	0.262	61%	0.613	S	S	.	*			trans	-82.2	135.7	176.2	-69.1	-176.5	0	0	0	113.3	G194 E195 Y202 K203	G194-L198 WeakPolarHBondContact O-CD2 3.43Å; G194-L198 VanDerWaalsContact O-CG 3.25Å; G194-L198 WeakPolarHBondContact O-CG 3.27Å; E195-L198 HydrophobicContact CG-CD1 3.75Å; E195-L198 HydrophobicContact CG-CG 4.12Å; L198-Y202 WeakPolarHBondContact CD1-O 3.49Å; L198-K203 HydrophobicContact CB-CG 3.99Å; L198-K203 WeakPolarHBondContact O-CE 3.47Å
199	K	27.1	Very low	28.7	Very low	170 Å²	170	126.5 Å²	126.5	74%	0.739	61%	0.608	S	S	*	*			trans	-54.1	143	164	-77	-176.4	176.1	-177.6	0	110.3	Y201 Y202	K199-Y201 VanDerWaalsContact C-N 3.3Å; K199-Y201 PolarHBondContact O-N 2.76Å; K199-Y202 HydrophobicContact CB-CD2 4.17Å; K199-Y202 PolarHBondContact O-N 3.47Å
200	E	34	Very low	28.7	Very low	161 Å²	161	122.3 Å²	122.3	75%	0.752	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	-33.9	-161.5	-161.9	167.5	-158.6	0	0	116.3
201	Y	34.8	Very low	28.9	Very low	149 Å²	149	120.2 Å²	120.2	58%	0.584	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-37.2	173.6	161.2	-111	0	0	0	113.3	K199 K203 R204	K199-Y201 VanDerWaalsContact C-N 3.3Å; K199-Y201 PolarHBondContact O-N 2.76Å; Y201-K203 PolarHBondContact O-N 2.87Å; Y201-R204 PolarHBondContact O-N 3.03Å
202	Y	30.2	Very low	29.1	Very low	134 Å²	134	120.1 Å²	120.1	53%	0.525	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-82.5	-9.5	-174.2	-65.1	-77.5	0	0	0	114.3	L198 K199 R204	L198-Y202 WeakPolarHBondContact CD1-O 3.49Å; K199-Y202 HydrophobicContact CB-CD2 4.17Å; K199-Y202 PolarHBondContact O-N 3.47Å; Y202-R204 PolarHBondContact O-N 3.31Å
203	K	35.4	Very low	29.4	Very low	122 Å²	122	120.8 Å²	120.8	53%	0.53	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-69.5	-13.2	168.1	-68.7	-175.1	176.1	-177.9	0	113.3	L198 Y201	L198-K203 HydrophobicContact CB-CG 3.99Å; L198-K203 WeakPolarHBondContact O-CE 3.47Å; Y201-K203 PolarHBondContact O-N 2.87Å
204	R	30.8	Very low	29.9	Very low	196 Å²	196	125 Å²	125	74%	0.74	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-90.7	0.6	-168.6	-60	-172	178.5	-157	-1.1	115.2	Y201 Y202	Y201-R204 PolarHBondContact O-N 3.03Å; Y202-R204 PolarHBondContact O-N 3.31Å
205	L	27.3	Very low	29.9	Very low	126 Å²	126	130.1 Å²	130.1	66%	0.66	61%	0.605	S	S	*	*			trans	-137	69.3	-165.7	-65.1	173.3	0	0	0	113.1
206	K	28.7	Very low	29.9	Very low	66 Å²	66	139.8 Å²	139.8	29%	0.287	64%	0.641	S	S	.	*	S	Bend	trans	-144.5	34.1	-177.7	-70.8	-162.1	179	178.8	0	117.1	P193 E195	P193-K206 HydrophobicContact CB-CD 3.88Å; E195-K206 VanDerWaalsContact N-NZ 3.18Å; E195-K206 IonicContact OE1-NZ 3.99Å
207	Y	27.7	Very low	30.2	Very low	171 Å²	171	136 Å²	136	67%	0.671	64%	0.635	S	S	*	*	S	Bend	trans	67.2	75.2	179	-45.6	-80.5	0	0	0	115.3	K223	Y207-K223 WeakPolarHBondContact OH-CD 3.46Å; Y207-K223 WeakPolarHBondContact OH-CE 3.46Å; Y207-K223 VanDerWaalsContact OH-CG 3.27Å; Y207-K223 WeakPolarHBondContact OH-CG 3.36Å
208	F	24.5	Very low	30.3	Very low	162 Å²	162	136.1 Å²	136.1	71%	0.711	64%	0.636	S	S	*	*			trans	-136.2	147.3	155.3	-69.1	-82.1	0	0	0	108.7	V210	F208-V210 VanDerWaalsContact C-N 3.31Å; F208-V210 HydrophobicContact CB-CG2 4.12Å; F208-V210 PolarHBondContact O-N 2.94Å
209	L	26.2	Very low	30.5	Very low	128 Å²	128	135.7 Å²	135.7	67%	0.67	65%	0.645	S	S	*	*			trans	-71.7	90	165.6	-79.2	160.1	0	0	0	108.3	Y282	L209-Y282 HydrophobicContact CB-CE2 4.49Å; L209-Y282 WeakPolarHBondContact CB-OH 3.44Å; L209-Y282 HydrophobicContact CD1-CE2 4.03Å; L209-Y282 PolarHBondContact O-OH 2.8Å
210	V	26.3	Very low	30.5	Very low	120 Å²	120	134.6 Å²	134.6	73%	0.727	65%	0.645	S	S	*	*			trans	-90.4	110.8	174.6	-175.5	0	0	0	0	108.2	F208 D212	F208-V210 VanDerWaalsContact C-N 3.31Å; F208-V210 HydrophobicContact CB-CG2 4.12Å; F208-V210 PolarHBondContact O-N 2.94Å; V210-D212 PolarHBondContact O-N 2.78Å
211	Q	29.6	Very low	30.4	Very low	106 Å²	106	136.2 Å²	136.2	50%	0.495	65%	0.646	S	S	.	*			trans	-72.4	105.3	164.6	-175.4	175.9	-1.4	0	0	107.5	H213 N286	Q211-H213 PolarHBondContact O-N 3.19Å; Q211-N286 PolarHBondContact NE2-ND2 3.26Å; Q211-N286 PolarHBondContact OE1-ND2 2.84Å
212	D	30.9	Very low	30	Very low	90 Å²	90	134.3 Å²	134.3	48%	0.481	65%	0.646	S	S	.	*			trans	-67.5	124.4	166.9	-158	-38.2	0	0	0	108.1	V210 L214	V210-D212 PolarHBondContact O-N 2.78Å; D212-L214 VanDerWaalsContact C-N 3.3Å; D212-L214 PolarHBondContact OD1-N 3.4Å
213	H	35.4	Very low	30	Very low	159 Å²	159	135.3 Å²	135.3	74%	0.736	65%	0.653	S	S	*	*	S	Bend	trans	-89.6	1.3	-174.2	45.7	-77.7	0	0	0	112	Q211	Q211-H213 PolarHBondContact O-N 3.19Å
214	L	36.6	Very low	29.8	Very low	139 Å²	139	137 Å²	137	73%	0.728	66%	0.662	S	S	*	*	S	Bend	trans	-120.1	-11.7	-172.1	-64.6	172.2	0	0	0	115.2	D212	D212-L214 VanDerWaalsContact C-N 3.3Å; D212-L214 PolarHBondContact OD1-N 3.4Å
215	E	31.7	Very low	30	Very low	158 Å²	158	132 Å²	132	74%	0.738	66%	0.658	S	S	*	*			trans	-130	129.7	179.1	-67	-162.9	164.9	0	0	114.3	G217	E215-G217 VanDerWaalsContact C-N 3.28Å; E215-G217 PolarHBondContact O-N 3Å
216	Y	32.2	Very low	29.9	Very low	260 Å²	260	132.5 Å²	132.5	100%	1.02	67%	0.666	S	S	*	*	S	Bend	trans	-70.6	67.9	179.5	-80.8	-98.2	0	0	0	112.7
217	G	31.2	Very low	30	Very low	58 Å²	58	132.5 Å²	132.5	60%	0.598	67%	0.674	S	S	*	*			trans	-169.7	75.5	-176.9	0	0	0	0	0	116.3	E215	E215-G217 VanDerWaalsContact C-N 3.28Å; E215-G217 PolarHBondContact O-N 3Å
218	N	29.5	Very low	30.1	Very low	133 Å²	133	131.7 Å²	131.7	71%	0.711	69%	0.687	S	S	*	*			trans	-61.1	147.2	175.4	-76.7	-19.7	0	0	0	113.3	R240	N218-R240 PolarHBondContact O-NH1 3.35Å
219	G	30.6	Very low	30.3	Very low	42 Å²	42	131 Å²	131	43%	0.433	68%	0.684	S	S	.	*			trans	152.2	-174.8	142.8	0	0	0	0	0	117.1	R240	G219-R240 VanDerWaalsContact CA-NH1 3.29Å; G219-R240 PolarHBondContact O-NH2 3.26Å
220	I	27.5	Very low	30.5	Very low	146 Å²	146	134.3 Å²	134.3	75%	0.749	70%	0.696	S	S	*	*			trans	-95.4	149.9	-157.3	-55.6	163.6	0	0	0	111.3	R240	I220-R240 PolarHBondContact O-NH2 2.97Å
221	Y	32.4	Very low	30.7	Very low	196 Å²	196	135.5 Å²	135.5	77%	0.769	69%	0.688	S	S	*	*			trans	-132.3	136.9	173.3	-65.1	-86.4	0	0	0	109.8	R240	Y221-R240 PolarHBondContact OH-NH2 3.5Å
222	N	26.4	Very low	30.7	Very low	108 Å²	108	138.2 Å²	138.2	58%	0.578	71%	0.705	S	S	*	*			trans	-93.9	151.3	178.3	-173.2	13.6	0	0	0	111.3	E224	N222-E224 PolarHBondContact ND2-OE2 2.9Å; N222-E224 PolarHBondContact O-N 2.74Å
223	K	29.4	Very low	30.7	Very low	155 Å²	155	146.5 Å²	146.5	67%	0.674	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-23.7	178.6	-172.1	178.6	-168.6	175.6	0	114.2	Y207	Y207-K223 WeakPolarHBondContact OH-CD 3.46Å; Y207-K223 WeakPolarHBondContact OH-CE 3.46Å; Y207-K223 VanDerWaalsContact OH-CG 3.27Å; Y207-K223 WeakPolarHBondContact OH-CG 3.36Å
224	E	31.1	Very low	30.6	Very low	157 Å²	157	142.3 Å²	142.3	73%	0.734	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-9	-164.5	-63.4	179.7	145.7	0	0	115.2	N222 T226	N222-E224 PolarHBondContact ND2-OE2 2.9Å; N222-E224 PolarHBondContact O-N 2.74Å; E224-T226 VanDerWaalsContact C-N 3.32Å; E224-T226 PolarHBondContact O-N 3.06Å; E224-T226 VanDerWaalsContact O-N 3.14Å
225	S	34.3	Very low	30.4	Very low	93 Å²	93	142.2 Å²	142.2	65%	0.65	73%	0.73	S	S	*	*			trans	-89.4	61	177.3	63.4	0	0	0	0	112.5	S227	S225-S227 PolarHBondContact O-N 3.14Å
226	T	26.3	Very low	30.2	Very low	136 Å²	136	139.3 Å²	139.3	83%	0.834	73%	0.727	S	S	*	*			trans	-69.6	91.5	171.4	50.4	0	0	0	0	111	E224	E224-T226 VanDerWaalsContact C-N 3.32Å; E224-T226 PolarHBondContact O-N 3.06Å; E224-T226 VanDerWaalsContact O-N 3.14Å
227	S	30.4	Very low	30	Very low	65 Å²	65	135.8 Å²	135.8	46%	0.455	73%	0.725	S	S	.	*			trans	-136.9	110.6	170.1	-179.8	0	0	0	0	110.1	S225 K229	S225-S227 PolarHBondContact O-N 3.14Å; S227-K229 PolarHBondContact O-N 3.19Å
228	T	29.2	Very low	29.6	Very low	154 Å²	154	138.4 Å²	138.4	95%	0.945	73%	0.728	S	S	*	*			trans	-73.9	17.5	175.7	42.1	0	0	0	0	113.6
229	K	28.9	Very low	29.5	Very low	149 Å²	149	141 Å²	141	65%	0.648	74%	0.737	S	S	*	*			trans	-87.3	119	173.3	-74.5	-175.2	175	179.8	0	110.5	S227 Y231	S227-K229 PolarHBondContact O-N 3.19Å; K229-Y231 HydrophobicContact CB-CD2 4.2Å; K229-Y231 HydrophobicContact CB-CE2 3.73Å; K229-Y231 WeakPolarHBondContact O-CD2 3.5Å; K229-Y231 PolarHBondContact O-N 3.2Å
230	H	30.8	Very low	29.2	Very low	197 Å²	197	143.9 Å²	143.9	91%	0.912	73%	0.734	S	S	*	*			trans	-61.2	102.8	158.9	-83.9	-79.3	0	0	0	109.1
231	Y	31.3	Very low	29.1	Very low	144 Å²	144	141.6 Å²	141.6	57%	0.565	72%	0.722	S	S	*	*			trans	-79.1	129.1	168.7	-72.5	-86.4	0	0	0	109.6	K229	K229-Y231 HydrophobicContact CB-CD2 4.2Å; K229-Y231 HydrophobicContact CB-CE2 3.73Å; K229-Y231 WeakPolarHBondContact O-CD2 3.5Å; K229-Y231 PolarHBondContact O-N 3.2Å
232	L	29.1	Very low	28.8	Very low	163 Å²	163	138.9 Å²	138.9	85%	0.853	72%	0.72	S	S	*	*			trans	-59.4	142.9	169.9	-76.9	160.5	0	0	0	110	G234	L232-G234 PolarHBondContact O-N 3.49Å
233	R	29.7	Very low	28.8	Very low	265 Å²	265	139.5 Å²	139.5	100%	1	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49	104.2	-177.1	-145.8	-179.1	-163.2	-175.8	5.7	110.4
234	G	34.7	Very low	28.8	Very low	70 Å²	70	135.4 Å²	135.4	72%	0.722	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	145.6	-34.6	176.5	0	0	0	0	0	116.3	L232	L232-G234 PolarHBondContact O-N 3.49Å
235	N	31.9	Very low	28.6	Very low	138 Å²	138	131.6 Å²	131.6	74%	0.738	72%	0.715	S	S	*	*			trans	-114	62.9	-164.9	-69.9	-9.1	0	0	0	114.3
236	S	27.9	Very low	28.3	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	73%	0.728	S	S	*	*			trans	-110.9	129.8	170.8	-177.2	0	0	0	0	111	V238	S236-V238 PolarHBondContact O-N 3.46Å
237	L	26.5	Very low	28.6	Very low	187 Å²	187	137 Å²	137	98%	0.979	71%	0.713	S	S	*	*	S	Bend	trans	-74.9	26.7	-176.9	-80.5	162.4	0	0	0	114.5
238	V	24.5	Very low	28.7	Very low	112 Å²	112	137.5 Å²	137.5	68%	0.679	72%	0.715	S	S	*	*			trans	-136.4	107.7	177.3	-176.5	0	0	0	0	109.1	S236	S236-V238 PolarHBondContact O-N 3.46Å
239	Q	26	Very low	29	Very low	189 Å²	189	138.5 Å²	138.5	88%	0.883	71%	0.709	S	S	*	*			trans	-86.5	114.9	-177.5	-150.5	169.3	4.8	0	0	109.5
240	R	25.1	Very low	29.1	Very low	102 Å²	102	135.6 Å²	135.6	39%	0.385	70%	0.7	S	S	.	*	P	Polyproline II helix	trans	-82.6	119.1	172.7	-72	-177.4	-177.9	165.5	6.3	109.5	N218 G219 I220 Y221 I242	N218-R240 PolarHBondContact O-NH1 3.35Å; G219-R240 VanDerWaalsContact CA-NH1 3.29Å; G219-R240 PolarHBondContact O-NH2 3.26Å; I220-R240 PolarHBondContact O-NH2 2.97Å; Y221-R240 PolarHBondContact OH-NH2 3.5Å; R240-I242 PolarHBondContact O-N 3.29Å
241	I	25.3	Very low	29.2	Very low	97 Å²	97	131.7 Å²	131.7	50%	0.497	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-76.2	121.6	168.7	-58.9	175.2	0	0	0	108.1	D250	I241-D250 HydrophobicContact CD1-CB 4.28Å; I241-D250 VanDerWaalsContact CD1-O 3.25Å; I241-D250 WeakPolarHBondContact CD1-O 3.39Å
242	I	26.8	Very low	29.2	Very low	139 Å²	139	131.1 Å²	131.1	71%	0.713	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-83.2	119.6	170.2	-61.7	174.6	0	0	0	107.4	R240 G244 S245	R240-I242 PolarHBondContact O-N 3.29Å; I242-G244 PolarHBondContact O-N 3.07Å; I242-G244 VanDerWaalsContact O-N 3.08Å; I242-S245 PolarHBondContact O-N 2.84Å
243	L	26.3	Very low	29.4	Very low	122 Å²	122	132 Å²	132	64%	0.639	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	112.9	171.4	-76	168.9	0	0	0	108.6
244	G	28.1	Very low	29.7	Very low	69 Å²	69	121.9 Å²	121.9	71%	0.711	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	148.9	-23.4	-163.4	0	0	0	0	0	112.8	I242	I242-G244 PolarHBondContact O-N 3.07Å; I242-G244 VanDerWaalsContact O-N 3.08Å
245	S	27	Very low	30.2	Very low	77 Å²	77	122.1 Å²	122.1	54%	0.538	65%	0.653	S	S	.	*			trans	-68.6	142.3	166.8	-173.1	0	0	0	0	111.7	I242	I242-S245 PolarHBondContact O-N 2.84Å
246	R	29.5	Very low	30.6	Very low	243 Å²	243	121.8 Å²	121.8	92%	0.917	65%	0.648	S	S	*	*	S	Bend	trans	-86.2	-3	-173.1	-77.5	-176	173.2	-177	-2.3	115.6
247	N	31.9	Very low	31.2	Very low	98 Å²	98	124.2 Å²	124.2	52%	0.524	65%	0.648	S	S	.	*			trans	-105.4	118.7	-176.2	-83.8	0.4	0	0	0	112.5	E249	N247-E249 PolarHBondContact O-N 3.35Å
248	P	32.4	Very low	32	Very low	77 Å²	77	120.5 Å²	120.5	50%	0.5	63%	0.626	S	S	.	*	G	3₁₀ helix	trans	-67.1	-14.5	171	-20.8	33.9	0	0	0	114.4	D250	P248-D250 VanDerWaalsContact C-N 3.32Å; P248-D250 PolarHBondContact O-N 3.09Å
249	E	35.1	Very low	32.8	Very low	175 Å²	175	117.2 Å²	117.2	82%	0.818	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-77.4	-13.1	-170.1	-61	-178.5	165.4	0	0	114	N247 L251	N247-E249 PolarHBondContact O-N 3.35Å; E249-L251 VanDerWaalsContact C-N 3.29Å; E249-L251 PolarHBondContact O-N 3.16Å
250	D	31.9	Very low	33.4	Very low	87 Å²	87	115.7 Å²	115.7	47%	0.465	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-82.6	1	-179.4	-65.1	-40.5	0	0	0	113.9	I241 P248 V252	I241-D250 HydrophobicContact CD1-CB 4.28Å; I241-D250 VanDerWaalsContact CD1-O 3.25Å; I241-D250 WeakPolarHBondContact CD1-O 3.39Å; P248-D250 VanDerWaalsContact C-N 3.32Å; P248-D250 PolarHBondContact O-N 3.09Å; D250-V252 PolarHBondContact O-N 3.06Å
251	L	31.2	Very low	34.1	Very low	115 Å²	115	117 Å²	117	60%	0.602	60%	0.602	S	S	*	*			trans	-76.4	83.4	-177.6	-75.1	168.6	0	0	0	112.4	E249 Q253	E249-L251 VanDerWaalsContact C-N 3.29Å; E249-L251 PolarHBondContact O-N 3.16Å; L251-Q253 PolarHBondContact O-N 3.41Å
252	V	32	Very low	34.5	Very low	133 Å²	133	115.7 Å²	115.7	81%	0.806	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-58	127.4	172.5	-177.3	0	0	0	0	110.7	D250 C254	D250-V252 PolarHBondContact O-N 3.06Å; V252-C254 PolarHBondContact O-N 3.46Å
253	Q	33.9	Very low	34.9	Very low	182 Å²	182	115.4 Å²	115.4	85%	0.85	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-65	122.1	-177.4	-67	177.9	-13.6	0	0	111.8	L251	L251-Q253 PolarHBondContact O-N 3.41Å
254	C	36.5	Very low	35.3	Very low	52 Å²	52	111.3 Å²	111.3	35%	0.351	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-67.1	142.4	158.7	-78.3	0	0	0	0	109.5	V252	V252-C254 PolarHBondContact O-N 3.46Å
255	T	43.3	Very low	35.6	Very low	74 Å²	74	111.4 Å²	111.4	45%	0.454	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-70.1	154.4	170.5	67.7	0	0	0	0	110.5	E257 Q258 Y259	T255-E257 PolarHBondContact O-N 3.34Å; T255-Q258 PolarHBondContact O-N 3.49Å; T255-Q258 VanDerWaalsContact O-N 3.08Å; T255-Q258 VanDerWaalsContact OG1-CG 3.27Å; T255-Q258 WeakPolarHBondContact OG1-CG 3.49Å; T255-Q258 PolarHBondContact OG1-N 3.5Å; T255-Q258 PolarHBondContact OG1-OE1 3.34Å; T255-Y259 PolarHBondContact O-N 3.49Å; T255-Y259 VanDerWaalsContact O-N 3.13Å
256	E	40.4	Very low	36	Very low	132 Å²	132	109.5 Å²	109.5	62%	0.617	55%	0.55	S	S	*	*	H	α-helix	trans	-57	-34.3	178.5	-160.4	-167.5	147	0	0	111.9	Y259 R260	E256-Y259 PolarHBondContact O-N 3.12Å; E256-R260 VanDerWaalsContact O-CG 3.26Å; E256-R260 WeakPolarHBondContact O-CG 3.09Å; E256-R260 PolarHBondContact O-N 3.37Å; E256-R260 IonicContact OE1-CZ 4Å; E256-R260 IonicContact OE1-NE 3.23Å; E256-R260 PolarHBondContact OE1-NE 3.07Å; E256-R260 IonicContact OE1-NH2 3.5Å; E256-R260 PolarHBondContact OE1-NH2 3.26Å
257	E	42.4	Very low	36.4	Very low	146 Å²	146	103.1 Å²	103.1	68%	0.682	53%	0.531	S	S	*	.	H	α-helix	trans	-69.4	-38.9	176.8	-169.4	168.7	-152.3	0	0	113.1	T255 Y259 R260 N261	T255-E257 PolarHBondContact O-N 3.34Å; E257-Y259 VanDerWaalsContact C-N 3.29Å; E257-Y259 PolarHBondContact O-N 2.84Å; E257-R260 PolarHBondContact O-N 3.39Å; E257-N261 PolarHBondContact O-N 2.99Å; E257-N261 PolarHBondContact O-ND2 2.99Å
258	Q	43.1	Very low	36.8	Very low	109 Å²	109	105.2 Å²	105.2	51%	0.509	55%	0.547	S	S	.	.	H	α-helix	trans	-65.8	-32.6	173.4	-73.7	166.8	-26.4	0	0	112.2	T255	T255-Q258 PolarHBondContact O-N 3.49Å; T255-Q258 VanDerWaalsContact O-N 3.08Å; T255-Q258 VanDerWaalsContact OG1-CG 3.27Å; T255-Q258 WeakPolarHBondContact OG1-CG 3.49Å; T255-Q258 PolarHBondContact OG1-N 3.5Å; T255-Q258 PolarHBondContact OG1-OE1 3.34Å
259	Y	39.7	Very low	37.5	Very low	44 Å²	44	103.7 Å²	103.7	17%	0.173	55%	0.545	C	S	.	.	H	α-helix	trans	-73	-40.6	175.3	-176.8	-114	0	0	0	112.4	T255 E256 E257 N261 Q262 Y266 Y294 F337	T255-Y259 PolarHBondContact O-N 3.49Å; T255-Y259 VanDerWaalsContact O-N 3.13Å; E256-Y259 PolarHBondContact O-N 3.12Å; E257-Y259 VanDerWaalsContact C-N 3.29Å; E257-Y259 PolarHBondContact O-N 2.84Å; Y259-N261 PolarHBondContact O-N 3.1Å; Y259-N261 VanDerWaalsContact O-N 3.13Å; Y259-Q262 PolarHBondContact O-N 3.15Å; Y259-Q262 VanDerWaalsContact O-N 3.14Å; Y259-Y266 HydrophobicContact CE1-CD1 4.37Å; Y259-Y266 HydrophobicContact CE1-CD2 4.38Å; Y259-Y266 HydrophobicContact CE1-CG 4.17Å; Y259-Y266 HydrophobicContact CE2-CD2 4.08Å; Y259-Y266 HydrophobicContact CE2-CE1 4.44Å; Y259-Y266 AromaticContact CE2-CE2 3.76Å; Y259-Y266 HydrophobicContact CE2-CE2 3.76Å; Y259-Y266 AromaticContact CE2-CZ 3.95Å; Y259-Y266 AromaticContact CZ-CD1 3.92Å; Y259-Y266 AromaticContact CZ-CD2 3.95Å; Y259-Y266 AromaticContact CZ-CE1 3.91Å; Y259-Y266 AromaticContact CZ-CE2 3.92Å; Y259-Y266 AromaticContact CZ-CG 3.94Å; Y259-Y266 AromaticContact CZ-CZ 3.89Å; Y259-Y266 WeakPolarHBondContact OH-CD1 3.35Å; Y259-Y266 WeakPolarHBondContact OH-CE1 3.4Å; Y259-Y294 AromaticContact CD2-CD2 3.58Å; Y259-Y294 HydrophobicContact CD2-CD2 3.58Å; Y259-Y294 AromaticContact CD2-CE2 3.85Å; Y259-Y294 HydrophobicContact CD2-CE2 3.85Å; Y259-Y294 AromaticContact CE2-CD2 3.71Å; Y259-Y294 HydrophobicContact CE2-CD2 3.71Å; Y259-Y294 HydrophobicContact CE2-CE2 4.07Å; Y259-F337 WeakPolarHBondContact OH-CE1 3.31Å; Y259-F337 WeakPolarHBondContact OH-CZ 3.34Å
260	R	38.6	Very low	38.2	Very low	157 Å²	157	96.1 Å²	96.1	59%	0.592	51%	0.511	S	S	*	.	H	α-helix	trans	-57.2	-26.1	177	-75.7	168.1	-175.8	-148.4	4.9	114	E256 E257	E256-R260 VanDerWaalsContact O-CG 3.26Å; E256-R260 WeakPolarHBondContact O-CG 3.09Å; E256-R260 PolarHBondContact O-N 3.37Å; E256-R260 IonicContact OE1-CZ 4Å; E256-R260 IonicContact OE1-NE 3.23Å; E256-R260 PolarHBondContact OE1-NE 3.07Å; E256-R260 IonicContact OE1-NH2 3.5Å; E256-R260 PolarHBondContact OE1-NH2 3.26Å; E257-R260 PolarHBondContact O-N 3.39Å
261	N	40.6	Very low	39.3	Very low	129 Å²	129	92 Å²	92	69%	0.69	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	4.9	-177.6	-67.2	-29.4	0	0	0	114.2	E257 Y259	E257-N261 PolarHBondContact O-N 2.99Å; E257-N261 PolarHBondContact O-ND2 2.99Å; Y259-N261 PolarHBondContact O-N 3.1Å; Y259-N261 VanDerWaalsContact O-N 3.13Å
262	Q	34.4	Very low	40.1	Very low	69 Å²	69	87.7 Å²	87.7	32%	0.322	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-86.7	133.7	175.7	-62	-173.4	10.8	0	0	111.5	Y259 Y266	Y259-Q262 PolarHBondContact O-N 3.15Å; Y259-Q262 VanDerWaalsContact O-N 3.14Å; Q262-Y266 HydrophobicContact CB-CE2 4.31Å
263	V	35.4	Very low	40.7	Very low	134 Å²	134	87 Å²	87	81%	0.812	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	135.9	173.4	-177.1	0	0	0	0	107.6
264	P	34.7	Very low	41.2	Very low	35 Å²	35	83.3 Å²	83.3	23%	0.227	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	cis	-65.2	142.4	11.8	-20.9	34.1	0	0	0	114.7	Y266 A275	P264-Y266 PolarHBondContact O-N 2.75Å; P264-Y266 VanDerWaalsContact O-N 3.15Å; P264-A275 HydrophobicContact CB-CB 3.6Å; P264-A275 HydrophobicContact CG-CB 4.35Å
265	S	32.8	Very low	41.7	Very low	71 Å²	71	81 Å²	81	50%	0.497	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	110.5	-167	45.4	0	0	0	0	114.5	H267	S265-H267 PolarHBondContact O-N 2.85Å
266	Y	36.6	Very low	41.9	Very low	37 Å²	37	79.4 Å²	79.4	15%	0.145	42%	0.415	C	S	.	.			trans	-79.6	87	167.1	-62.9	-75.2	0	0	0	110.7	Y259 Q262 P264 V268	Y259-Y266 HydrophobicContact CE1-CD1 4.37Å; Y259-Y266 HydrophobicContact CE1-CD2 4.38Å; Y259-Y266 HydrophobicContact CE1-CG 4.17Å; Y259-Y266 HydrophobicContact CE2-CD2 4.08Å; Y259-Y266 HydrophobicContact CE2-CE1 4.44Å; Y259-Y266 AromaticContact CE2-CE2 3.76Å; Y259-Y266 HydrophobicContact CE2-CE2 3.76Å; Y259-Y266 AromaticContact CE2-CZ 3.95Å; Y259-Y266 AromaticContact CZ-CD1 3.92Å; Y259-Y266 AromaticContact CZ-CD2 3.95Å; Y259-Y266 AromaticContact CZ-CE1 3.91Å; Y259-Y266 AromaticContact CZ-CE2 3.92Å; Y259-Y266 AromaticContact CZ-CG 3.94Å; Y259-Y266 AromaticContact CZ-CZ 3.89Å; Y259-Y266 WeakPolarHBondContact OH-CD1 3.35Å; Y259-Y266 WeakPolarHBondContact OH-CE1 3.4Å; Q262-Y266 HydrophobicContact CB-CE2 4.31Å; P264-Y266 PolarHBondContact O-N 2.75Å; P264-Y266 VanDerWaalsContact O-N 3.15Å; Y266-V268 PolarHBondContact O-N 3.44Å
267	H	38.3	Very low	41.9	Very low	109 Å²	109	79.9 Å²	79.9	51%	0.505	41%	0.411	S	S	.	.			trans	-71.3	117.3	169.9	-113.5	-76.2	0	0	0	110	S265 G269 C270 H343	S265-H267 PolarHBondContact O-N 2.85Å; H267-G269 PolarHBondContact O-N 3.39Å; H267-C270 PolarHBondContact O-N 3.49Å; H267-C270 PolarHBondContact O-SG 3.32Å; H267-H343 AromaticContact CG-NE2 3.82Å
268	V	38.7	Very low	41.8	Very low	142 Å²	142	79.3 Å²	79.3	86%	0.861	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	12.5	73.6	174.3	-163.4	0	0	0	0	115.3	Y266	Y266-V268 PolarHBondContact O-N 3.44Å
269	G	47.3	Very low	41.8	Very low	45 Å²	45	75.8 Å²	75.8	46%	0.464	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	-5.3	170.1	0	0	0	0	0	117.1	H267 P338	H267-G269 PolarHBondContact O-N 3.39Å; G269-P338 VanDerWaalsContact O-CD 3.29Å; G269-P338 WeakPolarHBondContact O-CD 3.48Å
270	C	51.4	Low	41.7	Very low	16 Å²	16	77.2 Å²	77.2	11%	0.108	40%	0.397	C	S	.	.			trans	-109.6	165.9	177.2	69.2	0	0	0	0	113.4	H267 P338 C340	H267-C270 PolarHBondContact O-N 3.49Å; H267-C270 PolarHBondContact O-SG 3.32Å; C270-P338 CarbonylContact C-O 3.45Å; C270-P338 WeakPolarHBondContact CA-O 3.23Å; C270-P338 HydrophobicContact CB-CB 4.5Å; C270-P338 HydrophobicContact CB-CG 3.96Å; C270-P338 WeakPolarHBondContact CB-O 3.49Å; C270-C340 HydrophobicContact CB-CB 4Å; C270-C340 WeakPolarHBondContact CB-SG 3.41Å; C270-C340 VanDerWaalsContact SG-CA 3.53Å; C270-C340 WeakPolarHBondContact SG-CB 3.06Å; C270-C340 CovalentContact SG-SG 2.03Å; C270-C340 PolarHBondContact SG-SG 3.15Å
271	I	53.1	Low	41.3	Very low	2 Å²	2	78.4 Å²	78.4	1%	0.01	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-112.6	129	173	-170.4	172.3	0	0	0	110.1	A275 M276 F316 I323 P324 F337 P338 V339 C340	I271-A275 HydrophobicContact CG1-CB 3.96Å; I271-M276 HydrophobicContact CD1-CG 3.81Å; I271-M276 HydrophobicContact CG1-CG 4.01Å; I271-M276 HydrophobicContact CG2-CG 4.27Å; I271-M276 HydrophobicContact CG2-SD 4.31Å; I271-F316 HydrophobicContact CD1-CZ 4.35Å; I271-I323 HydrophobicContact CG2-CG2 3.84Å; I271-P324 HydrophobicContact CD1-CG 3.85Å; I271-F337 HydrophobicContact CB-CB 3.81Å; I271-F337 HydrophobicContact CB-CG 4.29Å; I271-F337 HydrophobicContact CG2-CB 3.68Å; I271-P338 PolarHBondContact N-O 3.18Å; I271-V339 CarbonylContact O-C 3.48Å; I271-V339 WeakPolarHBondContact O-CA 3.05Å; I271-C340 PolarHBondContact N-SG 3.41Å; I271-C340 PolarHBondContact O-N 3.35Å
272	S	48.8	Very low	41.3	Very low	24 Å²	24	77 Å²	77	17%	0.168	39%	0.388	C	S	.	.			trans	-76.4	153.8	178.2	66.3	0	0	0	0	112	D274 A275 M276	S272-D274 PolarHBondContact O-N 3.27Å; S272-A275 WeakPolarHBondContact O-CB 3.31Å; S272-A275 PolarHBondContact O-N 3.29Å; S272-A275 VanDerWaalsContact OG-CB 3.25Å; S272-A275 WeakPolarHBondContact OG-CB 3.39Å; S272-A275 PolarHBondContact OG-N 2.64Å; S272-A275 VanDerWaalsContact OG-N 3.14Å; S272-M276 PolarHBondContact O-N 2.75Å
273	E	45.3	Very low	41.6	Very low	118 Å²	118	76 Å²	76	55%	0.551	39%	0.389	S	S	*	.	H	α-helix	trans	-59.9	-35.1	176	-65.3	-172.2	158.4	0	0	112	M276 R277 V339	E273-M276 WeakPolarHBondContact O-CB 3.22Å; E273-M276 PolarHBondContact O-N 2.64Å; E273-R277 WeakPolarHBondContact O-CG 3.09Å; E273-R277 PolarHBondContact O-N 3.13Å; E273-V339 HydrophobicContact CG-CG1 4.06Å
274	D	44.3	Very low	41.7	Very low	104 Å²	104	72.8 Å²	72.8	56%	0.556	38%	0.382	S	S	*	.	H	α-helix	trans	-72.5	-34.6	176.9	-63.3	-42.5	0	0	0	112.3	S272 R277 Y278	S272-D274 PolarHBondContact O-N 3.27Å; D274-R277 PolarHBondContact O-N 3.08Å; D274-R277 IonicContact OD1-CZ 2.71Å; D274-R277 IonicContact OD1-NH1 3.82Å; D274-R277 PolarHBondContact OD1-NH1 2.01Å; D274-Y278 PolarHBondContact O-N 3.1Å
275	A	46.8	Very low	42.1	Very low	3 Å²	3	78.8 Å²	78.8	3%	0.025	41%	0.405	C	S	.	.	H	α-helix	trans	-61.2	-46.7	168.9	0	0	0	0	0	110.7	P264 I271 S272 R277 Y278 F279	P264-A275 HydrophobicContact CB-CB 3.6Å; P264-A275 HydrophobicContact CG-CB 4.35Å; I271-A275 HydrophobicContact CG1-CB 3.96Å; S272-A275 WeakPolarHBondContact O-CB 3.31Å; S272-A275 PolarHBondContact O-N 3.29Å; S272-A275 VanDerWaalsContact OG-CB 3.25Å; S272-A275 WeakPolarHBondContact OG-CB 3.39Å; S272-A275 PolarHBondContact OG-N 2.64Å; S272-A275 VanDerWaalsContact OG-N 3.14Å; A275-R277 PolarHBondContact O-N 3.16Å; A275-Y278 WeakPolarHBondContact O-CB 3.32Å; A275-Y278 PolarHBondContact O-N 2.76Å; A275-Y278 VanDerWaalsContact O-N 3.13Å; A275-F279 WeakPolarHBondContact O-CD2 3.24Å; A275-F279 PolarHBondContact O-N 3.19Å; A275-F279 VanDerWaalsContact O-N 3.16Å
276	M	46.6	Very low	42.4	Very low	42 Å²	42	81 Å²	81	21%	0.207	41%	0.411	C	S	.	.	H	α-helix	trans	-54.8	-49.9	175	-68.9	176.2	61.7	0	0	111.4	I271 S272 E273 Y278 F279 I280 I323 V339	I271-M276 HydrophobicContact CD1-CG 3.81Å; I271-M276 HydrophobicContact CG1-CG 4.01Å; I271-M276 HydrophobicContact CG2-CG 4.27Å; I271-M276 HydrophobicContact CG2-SD 4.31Å; S272-M276 PolarHBondContact O-N 2.75Å; E273-M276 WeakPolarHBondContact O-CB 3.22Å; E273-M276 PolarHBondContact O-N 2.64Å; M276-Y278 VanDerWaalsContact C-N 3.27Å; M276-Y278 PolarHBondContact O-N 3.13Å; M276-F279 PolarHBondContact O-N 3.14Å; M276-I280 WeakPolarHBondContact O-CG1 3.46Å; M276-I280 PolarHBondContact O-N 3.13Å; M276-I323 HydrophobicContact CE-CB 4.49Å; M276-I323 HydrophobicContact CE-CG1 4.49Å; M276-I323 HydrophobicContact CE-CG2 3.9Å; M276-I323 HydrophobicContact SD-CG2 3.86Å; M276-V339 HydrophobicContact SD-CG2 4.09Å
277	R	41	Very low	42.8	Very low	142 Å²	142	81.8 Å²	81.8	54%	0.536	43%	0.431	S	S	.	.	H	α-helix	trans	-56.2	-38.2	176.8	-73.4	169.9	175.6	164.1	-3.2	113.2	E273 D274 A275 I280 Y281	E273-R277 WeakPolarHBondContact O-CG 3.09Å; E273-R277 PolarHBondContact O-N 3.13Å; D274-R277 PolarHBondContact O-N 3.08Å; D274-R277 IonicContact OD1-CZ 2.71Å; D274-R277 IonicContact OD1-NH1 3.82Å; D274-R277 PolarHBondContact OD1-NH1 2.01Å; A275-R277 PolarHBondContact O-N 3.16Å; R277-I280 PolarHBondContact O-N 2.02Å; R277-Y281 PolarHBondContact O-N 3.04Å; R277-Y281 VanDerWaalsContact O-N 3.16Å
278	Y	41.1	Very low	43.2	Very low	133 Å²	133	81.6 Å²	81.6	52%	0.522	44%	0.44	S	S	.	.	H	α-helix	trans	-67.6	-41.4	179.8	-134.5	-83.6	0	0	0	112.6	D274 A275 M276 Y281 Y282	D274-Y278 PolarHBondContact O-N 3.1Å; A275-Y278 WeakPolarHBondContact O-CB 3.32Å; A275-Y278 PolarHBondContact O-N 2.76Å; A275-Y278 VanDerWaalsContact O-N 3.13Å; M276-Y278 VanDerWaalsContact C-N 3.27Å; M276-Y278 PolarHBondContact O-N 3.13Å; Y278-Y281 PolarHBondContact O-N 3.21Å; Y278-Y282 HydrophobicContact CD1-CD2 4.44Å; Y278-Y282 HydrophobicContact CE1-CE2 4.36Å; Y278-Y282 PolarHBondContact O-N 2.93Å
279	F	43.3	Very low	43.5	Very low	36 Å²	36	81.7 Å²	81.7	16%	0.158	43%	0.429	C	S	.	.	H	α-helix	trans	-69	-35.9	175.6	-71.3	-70.8	0	0	0	112.5	A275 M276 Y281 Y282 S283 L291 F316	A275-F279 WeakPolarHBondContact O-CD2 3.24Å; A275-F279 PolarHBondContact O-N 3.19Å; A275-F279 VanDerWaalsContact O-N 3.16Å; M276-F279 PolarHBondContact O-N 3.14Å; F279-Y281 VanDerWaalsContact C-N 3.31Å; F279-Y281 PolarHBondContact O-N 3.07Å; F279-Y282 PolarHBondContact O-N 2.89Å; F279-S283 PolarHBondContact O-N 2.96Å; F279-L291 HydrophobicContact CD1-CD1 4.32Å; F279-F316 HydrophobicContact CB-CD1 4.02Å; F279-F316 HydrophobicContact CB-CE1 3.44Å; F279-F316 VanDerWaalsContact CB-CE1 3.44Å; F279-F316 HydrophobicContact CB-CE2 4.43Å; F279-F316 HydrophobicContact CB-CZ 3.68Å; F279-F316 HydrophobicContact CD1-CD2 4.39Å; F279-F316 HydrophobicContact CD1-CE1 4.26Å; F279-F316 AromaticContact CD1-CE2 3.71Å; F279-F316 HydrophobicContact CD1-CE2 3.71Å; F279-F316 AromaticContact CD1-CZ 3.63Å; F279-F316 HydrophobicContact CD1-CZ 3.63Å; F279-F316 AromaticContact CD2-CE1 3.73Å; F279-F316 HydrophobicContact CD2-CE1 3.73Å; F279-F316 HydrophobicContact CD2-CE2 4.04Å; F279-F316 AromaticContact CD2-CZ 3.18Å; F279-F316 HydrophobicContact CD2-CZ 3.18Å; F279-F316 AromaticContact CE1-CE2 3.87Å; F279-F316 HydrophobicContact CE1-CE2 3.87Å; F279-F316 HydrophobicContact CE1-CZ 4.01Å; F279-F316 HydrophobicContact CE2-CE2 4.2Å; F279-F316 AromaticContact CE2-CZ 3.62Å; F279-F316 HydrophobicContact CE2-CZ 3.62Å; F279-F316 HydrophobicContact CG-CD1 4.4Å; F279-F316 AromaticContact CG-CE1 3.56Å; F279-F316 HydrophobicContact CG-CE1 3.56Å; F279-F316 AromaticContact CG-CE2 3.81Å; F279-F316 HydrophobicContact CG-CE2 3.81Å; F279-F316 AromaticContact CG-CZ 3.2Å; F279-F316 HydrophobicContact CG-CZ 3.2Å; F279-F316 HydrophobicContact CZ-CE2 4.13Å; F279-F316 HydrophobicContact CZ-CZ 4.01Å
280	I	35.7	Very low	43.4	Very low	73 Å²	73	81.9 Å²	81.9	37%	0.374	42%	0.422	S	S	.	.	H	α-helix	trans	-59.5	-40.7	173.8	-68.1	169.3	0	0	0	111.3	M276 R277 Y282 G320	M276-I280 WeakPolarHBondContact O-CG1 3.46Å; M276-I280 PolarHBondContact O-N 3.13Å; R277-I280 PolarHBondContact O-N 2.02Å; I280-Y282 VanDerWaalsContact C-N 3.34Å; I280-Y282 PolarHBondContact O-N 2.81Å; I280-G320 VanDerWaalsContact CG1-O 3.32Å; I280-G320 WeakPolarHBondContact CG1-O 3.5Å; I280-G320 WeakPolarHBondContact CG2-O 3.5Å
281	Y	32.2	Very low	43.2	Very low	183 Å²	183	84.6 Å²	84.6	72%	0.718	44%	0.435	S	S	*	.	H	α-helix	trans	-68.2	-31	178	-108.2	-88	0	0	0	113.5	R277 Y278 F279	R277-Y281 PolarHBondContact O-N 3.04Å; R277-Y281 VanDerWaalsContact O-N 3.16Å; Y278-Y281 PolarHBondContact O-N 3.21Å; F279-Y281 VanDerWaalsContact C-N 3.31Å; F279-Y281 PolarHBondContact O-N 3.07Å
282	Y	39.2	Very low	42.9	Very low	100 Å²	100	87.4 Å²	87.4	39%	0.392	45%	0.452	S	S	.	.	H	α-helix	trans	-76.1	-31.9	-175.4	-113.3	-82.4	0	0	0	114.1	L209 Y278 F279 I280 G284	L209-Y282 HydrophobicContact CB-CE2 4.49Å; L209-Y282 WeakPolarHBondContact CB-OH 3.44Å; L209-Y282 HydrophobicContact CD1-CE2 4.03Å; L209-Y282 PolarHBondContact O-OH 2.8Å; Y278-Y282 HydrophobicContact CD1-CD2 4.44Å; Y278-Y282 HydrophobicContact CE1-CE2 4.36Å; Y278-Y282 PolarHBondContact O-N 2.93Å; F279-Y282 PolarHBondContact O-N 2.89Å; I280-Y282 VanDerWaalsContact C-N 3.34Å; I280-Y282 PolarHBondContact O-N 2.81Å; Y282-G284 PolarHBondContact O-N 3Å
283	S	40.1	Very low	43.3	Very low	47 Å²	47	86.8 Å²	86.8	33%	0.329	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-15.2	177.4	77.1	0	0	0	0	113.2	F279 F285 G320	F279-S283 PolarHBondContact O-N 2.96Å; S283-F285 VanDerWaalsContact C-N 3.32Å; S283-F285 PolarHBondContact O-N 3.4Å; S283-G320 WeakPolarHBondContact OG-CA 3.49Å
284	G	38.4	Very low	43.9	Very low	66 Å²	66	87.5 Å²	87.5	68%	0.68	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-12.7	-177.6	0	0	0	0	0	115.4	Y282	Y282-G284 PolarHBondContact O-N 3Å
285	F	43.5	Very low	45	Very low	162 Å²	162	84.9 Å²	84.9	71%	0.711	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-36	-165	-98.7	-83.9	0	0	0	117.4	S283	S283-F285 VanDerWaalsContact C-N 3.32Å; S283-F285 PolarHBondContact O-N 3.4Å
286	N	37.8	Very low	46.6	Very low	116 Å²	116	89 Å²	89	62%	0.62	45%	0.451	S	S	*	.	S	Bend	trans	-159.4	99.5	-178.1	-86.2	-56.3	0	0	0	114.6	Q211	Q211-N286 PolarHBondContact NE2-ND2 3.26Å; Q211-N286 PolarHBondContact OE1-ND2 2.84Å
287	G	45.1	Very low	48.1	Very low	55 Å²	55	89.1 Å²	89.1	57%	0.567	45%	0.454	S	S	*	.			trans	93.2	161.4	156.1	0	0	0	0	0	117.7	F289	G287-F289 VanDerWaalsContact C-N 3.26Å; G287-F289 PolarHBondContact O-N 3.29Å
288	P	47	Very low	50.2	Low	105 Å²	105	82.5 Å²	82.5	68%	0.682	43%	0.43	S	S	*	.	S	Bend	trans	-84.1	14.4	-169.1	36.7	-38.9	0	0	0	114.5	P290	P288-P290 WeakPolarHBondContact O-CD 3.42Å
289	F	46	Very low	51.7	Low	144 Å²	144	78 Å²	78	63%	0.632	42%	0.42	S	S	*	.			trans	-77.3	116.2	-172.7	-63	-72.2	0	0	0	110.5	G287 L291	G287-F289 VanDerWaalsContact C-N 3.26Å; G287-F289 PolarHBondContact O-N 3.29Å; F289-L291 PolarHBondContact O-N 2.99Å
290	P	45.4	Very low	53.4	Low	49 Å²	49	82.8 Å²	82.8	32%	0.318	44%	0.438	S	S	.	.			trans	-76.7	132.2	-175.9	35.9	-37.5	0	0	0	109.1	P288 V292 N315	P288-P290 WeakPolarHBondContact O-CD 3.42Å; P290-V292 PolarHBondContact O-N 3.29Å; P290-V292 VanDerWaalsContact O-N 3.13Å; P290-N315 WeakPolarHBondContact CB-OD1 3.38Å
291	L	46.9	Very low	55.5	Low	73 Å²	73	81.9 Å²	81.9	38%	0.382	45%	0.447	S	S	.	.			trans	-71.4	107.2	-179.8	-93.8	146.4	0	0	0	109	F279 F289 N315 F316	F279-L291 HydrophobicContact CD1-CD1 4.32Å; F289-L291 PolarHBondContact O-N 2.99Å; L291-N315 VanDerWaalsContact C-OD1 3.27Å; L291-N315 PolarHBondContact O-OD1 3.05Å; L291-F316 HydrophobicContact CB-CB 3.99Å; L291-F316 HydrophobicContact CB-CD2 3.68Å; L291-F316 HydrophobicContact CB-CG 4.17Å; L291-F316 VanDerWaalsContact O-CD2 3.29Å; L291-F316 WeakPolarHBondContact O-CD2 3.31Å; L291-F316 PolarHBondContact O-N 2.78Å
292	V	47.4	Very low	58.1	Low	60 Å²	60	76.8 Å²	76.8	36%	0.364	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-88.1	141.4	176.7	-76.7	0	0	0	0	111.5	P290 P311 V313 N315	P290-V292 PolarHBondContact O-N 3.29Å; P290-V292 VanDerWaalsContact O-N 3.13Å; V292-P311 HydrophobicContact CG1-CG 3.69Å; V292-V313 HydrophobicContact CB-CG2 4.07Å; V292-V313 HydrophobicContact CG1-CG2 3.98Å; V292-N315 HydrophobicContact CG1-CB 4.45Å; V292-N315 WeakPolarHBondContact CG1-OD1 3.49Å
293	T	57	Low	60.4	Low	12 Å²	12	79.4 Å²	79.4	7%	0.074	45%	0.445	C	S	.	.			trans	-109.1	158.4	172	73.2	0	0	0	0	109.9	K295 V313 C314 F316 F337	T293-K295 PolarHBondContact O-N 2.91Å; T293-K295 VanDerWaalsContact O-N 3.14Å; T293-V313 WeakPolarHBondContact O-CB 3.41Å; T293-C314 WeakPolarHBondContact CB-O 3.46Å; T293-C314 PolarHBondContact N-O 3.03Å; T293-C314 WeakPolarHBondContact OG1-CB 3.49Å; T293-C314 PolarHBondContact OG1-O 3.39Å; T293-F316 HydrophobicContact CG2-CD2 4.28Å; T293-F316 HydrophobicContact CG2-CE2 3.85Å; T293-F337 HydrophobicContact CG2-CE2 4.5Å
294	Y	57.9	Low	62.5	Low	132 Å²	132	77.7 Å²	77.7	52%	0.518	43%	0.433	S	S	.	.	S	Bend	trans	-70.6	-5.5	-178.3	-41.1	-81.1	0	0	0	114.5	Y259	Y259-Y294 AromaticContact CD2-CD2 3.58Å; Y259-Y294 HydrophobicContact CD2-CD2 3.58Å; Y259-Y294 AromaticContact CD2-CE2 3.85Å; Y259-Y294 HydrophobicContact CD2-CE2 3.85Å; Y259-Y294 AromaticContact CE2-CD2 3.71Å; Y259-Y294 HydrophobicContact CE2-CD2 3.71Å; Y259-Y294 HydrophobicContact CE2-CE2 4.07Å
295	K	67.1	Low	64.8	Low	50 Å²	50	79 Å²	79	22%	0.217	42%	0.42	C	S	.	.			trans	-83.2	130.3	-173.5	-165	177.6	-174.7	-177.2	0	110.2	T293 T297 V313 C314 C336 F337	T293-K295 PolarHBondContact O-N 2.91Å; T293-K295 VanDerWaalsContact O-N 3.14Å; K295-T297 WeakPolarHBondContact CD-O 3.29Å; K295-T297 WeakPolarHBondContact CE-O 3.38Å; K295-T297 WeakPolarHBondContact CE-OG1 3.31Å; K295-T297 WeakPolarHBondContact CG-O 3.04Å; K295-V313 WeakPolarHBondContact O-CA 3.24Å; K295-C314 HydrophobicContact CB-CB 4.1Å; K295-C314 WeakPolarHBondContact O-CB 3.27Å; K295-C314 PolarHBondContact O-N 3.02Å; K295-C314 PolarHBondContact O-SG 3.47Å; K295-C336 WeakPolarHBondContact CE-O 3.36Å; K295-C336 PolarHBondContact NZ-O 3.18Å; K295-F337 HydrophobicContact CB-CZ 4.08Å; K295-F337 HydrophobicContact CD-CD1 4.41Å; K295-F337 HydrophobicContact CD-CE1 3.86Å; K295-F337 HydrophobicContact CD-CE2 4.36Å; K295-F337 HydrophobicContact CD-CZ 3.83Å
296	N	80.1	Confident	66.6	Low	90 Å²	90	78.2 Å²	78.2	48%	0.481	42%	0.417	S	S	.	.			trans	-113.2	22.4	176.7	67.1	-5.3	0	0	0	112.8	C304 V313	N296-C304 PolarHBondContact O-N 3.33Å; N296-V313 HydrophobicContact CB-CG1 4.42Å
297	T	79.1	Confident	68.5	Low	43 Å²	43	76.3 Å²	76.3	26%	0.264	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-139.8	149.8	-179.8	44.8	0	0	0	0	111.7	K295 N302 C314	K295-T297 WeakPolarHBondContact CD-O 3.29Å; K295-T297 WeakPolarHBondContact CE-O 3.38Å; K295-T297 WeakPolarHBondContact CE-OG1 3.31Å; K295-T297 WeakPolarHBondContact CG-O 3.04Å; T297-N302 CarbonylContact C-O 3.49Å; T297-N302 WeakPolarHBondContact CA-O 2.94Å; T297-C314 PolarHBondContact O-SG 3.18Å
298	T	83	Confident	70.1	Confident	3 Å²	3	81.8 Å²	81.8	2%	0.018	41%	0.41	C	S	.	.			trans	-82.2	173	-179.2	70.9	0	0	0	0	112.6	Y300 G301 N302 T328 E334	T298-Y300 PolarHBondContact O-N 2.9Å; T298-Y300 PolarHBondContact OG1-N 3.22Å; T298-G301 PolarHBondContact O-N 3.48Å; T298-G301 VanDerWaalsContact O-N 3.09Å; T298-G301 PolarHBondContact OG1-N 3Å; T298-N302 HydrophobicContact CG2-CB 4.28Å; T298-N302 PolarHBondContact N-O 3.09Å; T298-N302 PolarHBondContact OG1-N 3.33Å; T298-T328 HydrophobicContact CG2-CG2 3.34Å; T298-E334 VanDerWaalsContact CB-OE2 3.32Å; T298-E334 WeakPolarHBondContact CB-OE2 3.44Å; T298-E334 HydrophobicContact CG2-CB 3.48Å; T298-E334 VanDerWaalsContact CG2-CB 3.48Å; T298-E334 HydrophobicContact CG2-CG 4.41Å; T298-E334 WeakPolarHBondContact CG2-OE2 3.23Å; T298-E334 PolarHBondContact OG1-OE2 3.2Å
299	A	74.2	Confident	71.2	Confident	38 Å²	38	85.8 Å²	85.8	31%	0.314	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.7	167.2	0	0	0	0	0	112.8	P335 C336	A299-P335 HydrophobicContact CB-CG 4.46Å; A299-P335 VanDerWaalsContact CB-O 3.27Å; A299-P335 WeakPolarHBondContact CB-O 3.44Å; A299-P335 PolarHBondContact N-O 3.02Å; A299-C336 PolarHBondContact N-O 2.84Å
300	Y	77.8	Confident	72.3	Confident	137 Å²	137	82.5 Å²	82.5	54%	0.537	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	3.3	179	-51.4	-68.1	0	0	0	113.3	T298 N302 E334 P335	T298-Y300 PolarHBondContact O-N 2.9Å; T298-Y300 PolarHBondContact OG1-N 3.22Å; Y300-N302 VanDerWaalsContact C-N 3.33Å; Y300-N302 PolarHBondContact O-N 3.32Å; Y300-E334 HydrophobicContact CD2-CG 4.2Å; Y300-E334 WeakPolarHBondContact CD2-OE2 3.23Å; Y300-P335 HydrophobicContact CE2-CG 3.98Å
301	G	80.9	Confident	73.6	Confident	55 Å²	55	82 Å²	82	57%	0.567	40%	0.403	S	S	*	.	S	Bend	trans	82.1	2.2	178.7	0	0	0	0	0	115.4	T298	T298-G301 PolarHBondContact O-N 3.48Å; T298-G301 VanDerWaalsContact O-N 3.09Å; T298-G301 PolarHBondContact OG1-N 3Å
302	N	86.3	Confident	75.4	Confident	75 Å²	75	82.5 Å²	82.5	40%	0.401	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-70.3	144.6	174.8	-66.9	-37.3	0	0	0	110.3	T297 T298 Y300 T328 E334	T297-N302 CarbonylContact C-O 3.49Å; T297-N302 WeakPolarHBondContact CA-O 2.94Å; T298-N302 HydrophobicContact CG2-CB 4.28Å; T298-N302 PolarHBondContact N-O 3.09Å; T298-N302 PolarHBondContact OG1-N 3.33Å; Y300-N302 VanDerWaalsContact C-N 3.33Å; Y300-N302 PolarHBondContact O-N 3.32Å; N302-T328 HydrophobicContact CB-CG2 3.54Å; N302-E334 VanDerWaalsContact ND2-CD 3.3Å; N302-E334 PolarHBondContact ND2-OE1 2.93Å; N302-E334 PolarHBondContact ND2-OE2 3.32Å
303	K	87.4	Confident	76.9	Confident	156 Å²	156	80.8 Å²	80.8	68%	0.678	40%	0.395	S	S	*	.	B	Isolated β-bridge	trans	-74.2	136.5	176	-75.4	-172.6	175.5	-175.2	0	111
304	C	84	Confident	77.7	Confident	11 Å²	11	80.2 Å²	80.2	7%	0.074	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-65.6	145.4	166.5	-61.1	0	0	0	0	110.6	N296 D312 C314 C326 H327	N296-C304 PolarHBondContact O-N 3.33Å; C304-D312 WeakPolarHBondContact CB-O 3.03Å; C304-C314 PolarHBondContact SG-SG 2.99Å; C304-C326 WeakPolarHBondContact CA-SG 3.29Å; C304-C326 HydrophobicContact CB-CB 3.59Å; C304-C326 WeakPolarHBondContact CB-SG 2.98Å; C304-C326 WeakPolarHBondContact SG-CB 2.86Å; C304-C326 CovalentContact SG-SG 2.03Å; C304-C326 PolarHBondContact SG-SG 3.44Å; C304-H327 CarbonylContact C-O 3.44Å; C304-H327 VanDerWaalsContact CA-O 3.32Å; C304-H327 WeakPolarHBondContact CA-O 3.09Å
305	K	85.9	Confident	78.2	Confident	94 Å²	94	74.2 Å²	74.2	41%	0.409	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-132.4	145.9	177.2	-61	-171.8	-168.1	166.9	0	109.6	H327 T328 D329	K305-H327 PolarHBondContact N-O 3.46Å; K305-T328 WeakPolarHBondContact CD-O 3.43Å; K305-T328 WeakPolarHBondContact CE-O 3.13Å; K305-T328 PolarHBondContact NZ-O 3.11Å; K305-D329 IonicContact NZ-OD1 3Å; K305-D329 PolarHBondContact NZ-OD1 3.04Å; K305-D329 IonicContact NZ-OD2 3.92Å; K305-D329 PolarHBondContact NZ-OD2 3.27Å; K305-D329 VanDerWaalsContact NZ-OD2 3.15Å
306	K	82.9	Confident	78.2	Confident	145 Å²	145	72.8 Å²	72.8	63%	0.63	36%	0.362	S	S	*	.			trans	-63.5	132.1	175.9	-173.1	178.1	-176.6	174.8	0	110.5	H310 D312	K306-H310 WeakPolarHBondContact CA-O 3.42Å; K306-H310 WeakPolarHBondContact CG-O 3.3Å; K306-D312 HydrophobicContact CB-CB 4.36Å
307	Y	76.2	Confident	77.3	Confident	76 Å²	76	70.2 Å²	70.2	30%	0.298	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-139.8	111.2	178.2	-171.2	-101.8	0	0	0	110.8	E309 H310 H327 G330 T331	Y307-E309 PolarHBondContact O-N 3.37Å; Y307-H310 PolarHBondContact N-O 3.44Å; Y307-H310 WeakPolarHBondContact O-CB 3.4Å; Y307-H310 PolarHBondContact O-N 3.03Å; Y307-H310 PolarHBondContact O-ND1 3.27Å; Y307-H327 VanDerWaalsContact CB-CG 3.48Å; Y307-H327 AromaticContact CD1-CE1 3.17Å; Y307-H327 WeakPolarHBondContact CD1-CE1 3.29Å; Y307-H327 AromaticContact CD1-ND1 3.55Å; Y307-H327 AromaticContact CD1-NE2 3.51Å; Y307-H327 AromaticContact CE1-CE1 3.68Å; Y307-H327 AromaticContact CG-CE1 3.65Å; Y307-H327 AromaticContact CG-CG 3.84Å; Y307-H327 AromaticContact CG-ND1 3.51Å; Y307-G330 WeakPolarHBondContact CD2-O 3.31Å; Y307-T331 WeakPolarHBondContact OH-CG2 3.43Å
308	F	78.7	Confident	75.6	Confident	169 Å²	169	71.3 Å²	71.3	74%	0.741	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	-119.9	-167.5	-72.3	-99.6	0	0	0	111.6
309	E	70.4	Confident	74	Confident	190 Å²	190	76.7 Å²	76.7	89%	0.888	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-7.2	179.8	-58.5	-175.2	161.4	0	0	112.8	Y307	Y307-E309 PolarHBondContact O-N 3.37Å
310	H	69	Low	72.4	Confident	75 Å²	75	75.5 Å²	75.5	35%	0.347	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-79.8	128.5	176.8	-60	78.9	0	0	0	110	K306 Y307	K306-H310 WeakPolarHBondContact CA-O 3.42Å; K306-H310 WeakPolarHBondContact CG-O 3.3Å; Y307-H310 PolarHBondContact N-O 3.44Å; Y307-H310 WeakPolarHBondContact O-CB 3.4Å; Y307-H310 PolarHBondContact O-N 3.03Å; Y307-H310 PolarHBondContact O-ND1 3.27Å
311	P	73.5	Confident	70.8	Confident	39 Å²	39	74.5 Å²	74.5	25%	0.253	37%	0.369	S	S	.	.			trans	-70.9	168.4	179.5	31.7	-35.9	0	0	0	111.6	V292 V313	V292-P311 HydrophobicContact CG1-CG 3.69Å; P311-V313 HydrophobicContact CB-CG2 4.01Å; P311-V313 HydrophobicContact CG-CG2 3.71Å; P311-V313 PolarHBondContact O-N 3.37Å
312	D	83.9	Confident	69.6	Low	82 Å²	82	75.9 Å²	75.9	44%	0.439	36%	0.361	S	S	.	.	S	Bend	trans	-75.8	28.8	172.3	60.3	-31.1	0	0	0	113.3	C304 K306	C304-D312 WeakPolarHBondContact CB-O 3.03Å; K306-D312 HydrophobicContact CB-CB 4.36Å
313	V	79.8	Confident	68.5	Low	24 Å²	24	74.1 Å²	74.1	15%	0.145	35%	0.351	C	S	.	.	S	Bend	trans	-131	156.9	174.4	-57.9	0	0	0	0	111	V292 T293 K295 N296 P311 N315	V292-V313 HydrophobicContact CB-CG2 4.07Å; V292-V313 HydrophobicContact CG1-CG2 3.98Å; T293-V313 WeakPolarHBondContact O-CB 3.41Å; K295-V313 WeakPolarHBondContact O-CA 3.24Å; N296-V313 HydrophobicContact CB-CG1 4.42Å; P311-V313 HydrophobicContact CB-CG2 4.01Å; P311-V313 HydrophobicContact CG-CG2 3.71Å; P311-V313 PolarHBondContact O-N 3.37Å; V313-N315 PolarHBondContact O-N 3.23Å
314	C	73.4	Confident	67.7	Low	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.319	C	S	.	.			trans	-60.1	118.1	176.9	-70.5	0	0	0	0	111.6	T293 K295 T297 C304 C336	T293-C314 WeakPolarHBondContact CB-O 3.46Å; T293-C314 PolarHBondContact N-O 3.03Å; T293-C314 WeakPolarHBondContact OG1-CB 3.49Å; T293-C314 PolarHBondContact OG1-O 3.39Å; K295-C314 HydrophobicContact CB-CB 4.1Å; K295-C314 WeakPolarHBondContact O-CB 3.27Å; K295-C314 PolarHBondContact O-N 3.02Å; K295-C314 PolarHBondContact O-SG 3.47Å; T297-C314 PolarHBondContact O-SG 3.18Å; C304-C314 PolarHBondContact SG-SG 2.99Å; C314-C336 VanDerWaalsContact CA-SG 3.52Å; C314-C336 HydrophobicContact CB-CB 3.46Å; C314-C336 VanDerWaalsContact CB-CB 3.46Å; C314-C336 WeakPolarHBondContact CB-SG 3.36Å; C314-C336 WeakPolarHBondContact SG-CB 3.15Å; C314-C336 CovalentContact SG-SG 2Å; C314-C336 PolarHBondContact SG-SG 3.37Å
315	N	68.9	Low	67.4	Low	7 Å²	7	67.2 Å²	67.2	4%	0.037	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-124.5	145.1	-168.1	-159.6	7.2	0	0	0	110.5	P290 L291 V292 V313 P324 S325	P290-N315 WeakPolarHBondContact CB-OD1 3.38Å; L291-N315 VanDerWaalsContact C-OD1 3.27Å; L291-N315 PolarHBondContact O-OD1 3.05Å; V292-N315 HydrophobicContact CG1-CB 4.45Å; V292-N315 WeakPolarHBondContact CG1-OD1 3.49Å; V313-N315 PolarHBondContact O-N 3.23Å; N315-P324 WeakPolarHBondContact O-CA 3.25Å; N315-S325 PolarHBondContact N-O 2.88Å; N315-S325 PolarHBondContact O-N 3.01Å
316	F	65.9	Low	67.3	Low	19 Å²	19	63 Å²	63	8%	0.083	31%	0.305	C	S	.	.			trans	-82.5	124.4	167.4	-74.1	-90.5	0	0	0	108.7	I271 F279 L291 T293 P324	I271-F316 HydrophobicContact CD1-CZ 4.35Å; F279-F316 HydrophobicContact CB-CD1 4.02Å; F279-F316 HydrophobicContact CB-CE1 3.44Å; F279-F316 VanDerWaalsContact CB-CE1 3.44Å; F279-F316 HydrophobicContact CB-CE2 4.43Å; F279-F316 HydrophobicContact CB-CZ 3.68Å; F279-F316 HydrophobicContact CD1-CD2 4.39Å; F279-F316 HydrophobicContact CD1-CE1 4.26Å; F279-F316 AromaticContact CD1-CE2 3.71Å; F279-F316 HydrophobicContact CD1-CE2 3.71Å; F279-F316 AromaticContact CD1-CZ 3.63Å; F279-F316 HydrophobicContact CD1-CZ 3.63Å; F279-F316 AromaticContact CD2-CE1 3.73Å; F279-F316 HydrophobicContact CD2-CE1 3.73Å; F279-F316 HydrophobicContact CD2-CE2 4.04Å; F279-F316 AromaticContact CD2-CZ 3.18Å; F279-F316 HydrophobicContact CD2-CZ 3.18Å; F279-F316 AromaticContact CE1-CE2 3.87Å; F279-F316 HydrophobicContact CE1-CE2 3.87Å; F279-F316 HydrophobicContact CE1-CZ 4.01Å; F279-F316 HydrophobicContact CE2-CE2 4.2Å; F279-F316 AromaticContact CE2-CZ 3.62Å; F279-F316 HydrophobicContact CE2-CZ 3.62Å; F279-F316 HydrophobicContact CG-CD1 4.4Å; F279-F316 AromaticContact CG-CE1 3.56Å; F279-F316 HydrophobicContact CG-CE1 3.56Å; F279-F316 AromaticContact CG-CE2 3.81Å; F279-F316 HydrophobicContact CG-CE2 3.81Å; F279-F316 AromaticContact CG-CZ 3.2Å; F279-F316 HydrophobicContact CG-CZ 3.2Å; F279-F316 HydrophobicContact CZ-CE2 4.13Å; F279-F316 HydrophobicContact CZ-CZ 4.01Å; L291-F316 HydrophobicContact CB-CB 3.99Å; L291-F316 HydrophobicContact CB-CD2 3.68Å; L291-F316 HydrophobicContact CB-CG 4.17Å; L291-F316 VanDerWaalsContact O-CD2 3.29Å; L291-F316 WeakPolarHBondContact O-CD2 3.31Å; L291-F316 PolarHBondContact O-N 2.78Å; T293-F316 HydrophobicContact CG2-CD2 4.28Å; T293-F316 HydrophobicContact CG2-CE2 3.85Å; F316-P324 HydrophobicContact CD1-CG 4.13Å; F316-P324 HydrophobicContact CD2-CG 4.36Å; F316-P324 HydrophobicContact CE1-CG 3.59Å; F316-P324 HydrophobicContact CE2-CB 4.45Å; F316-P324 HydrophobicContact CE2-CG 3.86Å; F316-P324 HydrophobicContact CZ-CB 4.45Å; F316-P324 HydrophobicContact CZ-CG 3.44Å; F316-P324 VanDerWaalsContact CZ-CG 3.44Å
317	N	61	Low	67.5	Low	36 Å²	36	57 Å²	57	19%	0.193	28%	0.279	C	S	.	.			trans	-59	127.6	171.8	-175.8	-31.2	0	0	0	109.1	K319 G320 E322	N317-K319 PolarHBondContact O-N 3.13Å; N317-K319 PolarHBondContact OD1-N 3.43Å; N317-K319 VanDerWaalsContact OD1-N 3.13Å; N317-G320 PolarHBondContact O-N 3.21Å; N317-E322 HydrophobicContact CB-CB 4.17Å; N317-E322 HydrophobicContact CB-CG 4.5Å; N317-E322 WeakPolarHBondContact CB-OE2 3.33Å; N317-E322 PolarHBondContact ND2-OE1 2.94Å; N317-E322 PolarHBondContact ND2-OE2 3.36Å
318	P	43.5	Very low	67.8	Low	66 Å²	66	53.7 Å²	53.7	43%	0.429	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-13.2	-175.8	21.8	-33.9	0	0	0	114.1	G320	P318-G320 PolarHBondContact O-N 3.09Å
319	K	49.9	Very low	67.8	Low	117 Å²	117	50.3 Å²	50.3	51%	0.509	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-5.3	170	-67.1	-178.3	179.6	175.8	0	114.3	N317 K321	N317-K319 PolarHBondContact O-N 3.13Å; N317-K319 PolarHBondContact OD1-N 3.43Å; N317-K319 VanDerWaalsContact OD1-N 3.13Å; K319-K321 VanDerWaalsContact C-N 3.33Å; K319-K321 PolarHBondContact O-N 3.08Å
320	G	40.8	Very low	67.9	Low	12 Å²	12	43.6 Å²	43.6	12%	0.124	24%	0.238	C	C	.	.	S	Bend	trans	59.9	38.5	169.5	0	0	0	0	0	113.8	I280 S283 N317 P318	I280-G320 VanDerWaalsContact CG1-O 3.32Å; I280-G320 WeakPolarHBondContact CG1-O 3.5Å; I280-G320 WeakPolarHBondContact CG2-O 3.5Å; S283-G320 WeakPolarHBondContact OG-CA 3.49Å; N317-G320 PolarHBondContact O-N 3.21Å; P318-G320 PolarHBondContact O-N 3.09Å
321	K	43.7	Very low	68.1	Low	116 Å²	116	44.9 Å²	44.9	50%	0.504	25%	0.252	S	S	.	.			trans	-140.7	0.7	-175.7	-75.6	-177	-176.5	-173.6	0	114.6	I43 K319	I43-K321 HydrophobicContact CD1-CD 4.34Å; I43-K321 HydrophobicContact CG1-CD 4.32Å; K319-K321 VanDerWaalsContact C-N 3.33Å; K319-K321 PolarHBondContact O-N 3.08Å
322	E	57	Low	68.2	Low	84 Å²	84	47.7 Å²	47.7	39%	0.393	26%	0.264	S	S	.	.	S	Bend	trans	-121.3	141.8	-172	-69.6	168.6	-161.3	0	0	110.1	N317	N317-E322 HydrophobicContact CB-CB 4.17Å; N317-E322 HydrophobicContact CB-CG 4.5Å; N317-E322 WeakPolarHBondContact CB-OE2 3.33Å; N317-E322 PolarHBondContact ND2-OE1 2.94Å; N317-E322 PolarHBondContact ND2-OE2 3.36Å
323	I	63.5	Low	67.9	Low	39 Å²	39	48.1 Å²	48.1	20%	0.2	27%	0.266	C	S	.	.			trans	-53.7	146.2	166.7	-1.1	-178.1	0	0	0	108.4	I271 M276 S325 P335 V339	I271-I323 HydrophobicContact CG2-CG2 3.84Å; M276-I323 HydrophobicContact CE-CB 4.49Å; M276-I323 HydrophobicContact CE-CG1 4.49Å; M276-I323 HydrophobicContact CE-CG2 3.9Å; M276-I323 HydrophobicContact SD-CG2 3.86Å; I323-S325 PolarHBondContact O-N 3.27Å; I323-P335 HydrophobicContact CD1-CB 4.12Å; I323-V339 HydrophobicContact CG2-CG2 4.27Å
324	P	69.4	Low	67.8	Low	1 Å²	1	48.5 Å²	48.5	1%	0.006	27%	0.266	C	S	.	.	S	Bend	trans	-53.6	132.7	176.5	-19	28.4	0	0	0	109.1	I271 N315 F316 C336 F337	I271-P324 HydrophobicContact CD1-CG 3.85Å; N315-P324 WeakPolarHBondContact O-CA 3.25Å; F316-P324 HydrophobicContact CD1-CG 4.13Å; F316-P324 HydrophobicContact CD2-CG 4.36Å; F316-P324 HydrophobicContact CE1-CG 3.59Å; F316-P324 HydrophobicContact CE2-CB 4.45Å; F316-P324 HydrophobicContact CE2-CG 3.86Å; F316-P324 HydrophobicContact CZ-CB 4.45Å; F316-P324 HydrophobicContact CZ-CG 3.44Å; F316-P324 VanDerWaalsContact CZ-CG 3.44Å; P324-C336 HydrophobicContact CB-CB 4.31Å; P324-C336 VanDerWaalsContact O-CB 3.3Å; P324-C336 WeakPolarHBondContact O-CB 3.14Å; P324-C336 PolarHBondContact O-N 3.17Å; P324-F337 HydrophobicContact CB-CD2 3.83Å; P324-F337 HydrophobicContact CB-CE2 3.87Å; P324-F337 HydrophobicContact CG-CD2 3.77Å; P324-F337 HydrophobicContact CG-CE2 4.01Å
325	S	79.1	Confident	68.1	Low	20 Å²	20	49.6 Å²	49.6	14%	0.14	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	162.3	-169.7	66.4	0	0	0	0	110.8	N315 I323 E334 C336	N315-S325 PolarHBondContact N-O 2.88Å; N315-S325 PolarHBondContact O-N 3.01Å; I323-S325 PolarHBondContact O-N 3.27Å; S325-E334 WeakPolarHBondContact CA-O 3.15Å; S325-E334 VanDerWaalsContact CB-O 3.32Å; S325-E334 WeakPolarHBondContact CB-O 3.48Å; S325-C336 VanDerWaalsContact C-SG 3.57Å
326	C	83.2	Confident	68.4	Low	6 Å²	6	49.3 Å²	49.3	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	164.5	173.1	70.9	0	0	0	0	111.3	C304 I333 E334	C304-C326 WeakPolarHBondContact CA-SG 3.29Å; C304-C326 HydrophobicContact CB-CB 3.59Å; C304-C326 WeakPolarHBondContact CB-SG 2.98Å; C304-C326 WeakPolarHBondContact SG-CB 2.86Å; C304-C326 CovalentContact SG-SG 2.03Å; C304-C326 PolarHBondContact SG-SG 3.44Å; C326-I333 WeakPolarHBondContact O-CA 3.23Å; C326-E334 PolarHBondContact N-O 3.31Å; C326-E334 VanDerWaalsContact N-O 3.07Å; C326-E334 PolarHBondContact O-N 3.17Å
327	H	85.7	Confident	68.6	Low	19 Å²	19	48.7 Å²	48.7	9%	0.088	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	134.8	173.8	-71.6	-100.6	0	0	0	110.5	C304 K305 Y307 G330 N332	C304-H327 CarbonylContact C-O 3.44Å; C304-H327 VanDerWaalsContact CA-O 3.32Å; C304-H327 WeakPolarHBondContact CA-O 3.09Å; K305-H327 PolarHBondContact N-O 3.46Å; Y307-H327 VanDerWaalsContact CB-CG 3.48Å; Y307-H327 AromaticContact CD1-CE1 3.17Å; Y307-H327 WeakPolarHBondContact CD1-CE1 3.29Å; Y307-H327 AromaticContact CD1-ND1 3.55Å; Y307-H327 AromaticContact CD1-NE2 3.51Å; Y307-H327 AromaticContact CE1-CE1 3.68Å; Y307-H327 AromaticContact CG-CE1 3.65Å; Y307-H327 AromaticContact CG-CG 3.84Å; Y307-H327 AromaticContact CG-ND1 3.51Å; H327-G330 PolarHBondContact ND1-O 2.67Å; H327-G330 VanDerWaalsContact ND1-O 3.11Å; H327-N332 VanDerWaalsContact CA-O 3.26Å; H327-N332 WeakPolarHBondContact CA-O 3.46Å
328	T	83.7	Confident	68.7	Low	7 Å²	7	49.8 Å²	49.8	4%	0.043	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-44.8	177.7	51.6	0	0	0	0	113.1	T298 N302 K305 N332 E334	T298-T328 HydrophobicContact CG2-CG2 3.34Å; N302-T328 HydrophobicContact CB-CG2 3.54Å; K305-T328 WeakPolarHBondContact CD-O 3.43Å; K305-T328 WeakPolarHBondContact CE-O 3.13Å; K305-T328 PolarHBondContact NZ-O 3.11Å; T328-N332 PolarHBondContact N-O 3.08Å; T328-E334 WeakPolarHBondContact CB-OE1 3.46Å; T328-E334 HydrophobicContact CG2-CB 4.1Å; T328-E334 VanDerWaalsContact CG2-CD 3.47Å; T328-E334 HydrophobicContact CG2-CG 4.17Å; T328-E334 WeakPolarHBondContact CG2-OE1 3.45Å; T328-E334 PolarHBondContact OG1-OE1 3.39Å
329	D	79.2	Confident	69.2	Low	97 Å²	97	48.5 Å²	48.5	52%	0.519	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	118.7	171.4	-96	-53.4	0	0	0	110.9	K305 T331 N332	K305-D329 IonicContact NZ-OD1 3Å; K305-D329 PolarHBondContact NZ-OD1 3.04Å; K305-D329 IonicContact NZ-OD2 3.92Å; K305-D329 PolarHBondContact NZ-OD2 3.27Å; K305-D329 VanDerWaalsContact NZ-OD2 3.15Å; D329-T331 PolarHBondContact O-N 3.46Å; D329-N332 WeakPolarHBondContact O-CB 3.19Å; D329-N332 PolarHBondContact O-N 2.04Å; D329-N332 VanDerWaalsContact O-N 3.13Å; D329-N332 PolarHBondContact O-ND2 3.27Å
330	G	72.5	Confident	69.1	Low	49 Å²	49	43.8 Å²	43.8	51%	0.505	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	-123.4	-175.7	0	0	0	0	0	112.8	Y307 H327 N332	Y307-G330 WeakPolarHBondContact CD2-O 3.31Å; H327-G330 PolarHBondContact ND1-O 2.67Å; H327-G330 VanDerWaalsContact ND1-O 3.11Å; G330-N332 VanDerWaalsContact C-N 3.33Å
331	T	72.4	Confident	69.3	Low	103 Å²	103	54.2 Å²	54.2	63%	0.632	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-1.4	179.6	49	0	0	0	0	114.2	Y307 D329 I333	Y307-T331 WeakPolarHBondContact OH-CG2 3.43Å; D329-T331 PolarHBondContact O-N 3.46Å; T331-I333 PolarHBondContact O-N 3.26Å
332	N	75.8	Confident	69.1	Low	98 Å²	98	58.5 Å²	58.5	52%	0.524	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	115.1	-179.6	-68.7	-29.5	0	0	0	110.7	H327 T328 D329 G330	H327-N332 VanDerWaalsContact CA-O 3.26Å; H327-N332 WeakPolarHBondContact CA-O 3.46Å; T328-N332 PolarHBondContact N-O 3.08Å; D329-N332 WeakPolarHBondContact O-CB 3.19Å; D329-N332 PolarHBondContact O-N 2.04Å; D329-N332 VanDerWaalsContact O-N 3.13Å; D329-N332 PolarHBondContact O-ND2 3.27Å; G330-N332 VanDerWaalsContact C-N 3.33Å
333	I	76.6	Confident	68.1	Low	91 Å²	91	59.9 Å²	59.9	47%	0.467	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.7	173.3	-61.9	170.3	0	0	0	108.4	C326 T331	C326-I333 WeakPolarHBondContact O-CA 3.23Å; T331-I333 PolarHBondContact O-N 3.26Å
334	E	78.2	Confident	66.8	Low	31 Å²	31	61.5 Å²	61.5	15%	0.145	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.4	178.4	-83.2	175	-134.2	0	0	111.1	T298 Y300 N302 S325 C326 T328	T298-E334 VanDerWaalsContact CB-OE2 3.32Å; T298-E334 WeakPolarHBondContact CB-OE2 3.44Å; T298-E334 HydrophobicContact CG2-CB 3.48Å; T298-E334 VanDerWaalsContact CG2-CB 3.48Å; T298-E334 HydrophobicContact CG2-CG 4.41Å; T298-E334 WeakPolarHBondContact CG2-OE2 3.23Å; T298-E334 PolarHBondContact OG1-OE2 3.2Å; Y300-E334 HydrophobicContact CD2-CG 4.2Å; Y300-E334 WeakPolarHBondContact CD2-OE2 3.23Å; N302-E334 VanDerWaalsContact ND2-CD 3.3Å; N302-E334 PolarHBondContact ND2-OE1 2.93Å; N302-E334 PolarHBondContact ND2-OE2 3.32Å; S325-E334 WeakPolarHBondContact CA-O 3.15Å; S325-E334 VanDerWaalsContact CB-O 3.32Å; S325-E334 WeakPolarHBondContact CB-O 3.48Å; C326-E334 PolarHBondContact N-O 3.31Å; C326-E334 VanDerWaalsContact N-O 3.07Å; C326-E334 PolarHBondContact O-N 3.17Å; T328-E334 WeakPolarHBondContact CB-OE1 3.46Å; T328-E334 HydrophobicContact CG2-CB 4.1Å; T328-E334 VanDerWaalsContact CG2-CD 3.47Å; T328-E334 HydrophobicContact CG2-CG 4.17Å; T328-E334 WeakPolarHBondContact CG2-OE1 3.45Å; T328-E334 PolarHBondContact OG1-OE1 3.39Å
335	P	79.4	Confident	65.2	Low	24 Å²	24	64.8 Å²	64.8	16%	0.156	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	137.8	174.6	29.7	-35.6	0	0	0	110.4	A299 Y300 I323	A299-P335 HydrophobicContact CB-CG 4.46Å; A299-P335 VanDerWaalsContact CB-O 3.27Å; A299-P335 WeakPolarHBondContact CB-O 3.44Å; A299-P335 PolarHBondContact N-O 3.02Å; Y300-P335 HydrophobicContact CE2-CG 3.98Å; I323-P335 HydrophobicContact CD1-CB 4.12Å
336	C	76.4	Confident	63.1	Low	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.36	C	S	.	.	S	Bend	trans	-84.8	-24.9	-179.3	-73.9	0	0	0	0	114.1	K295 A299 C314 P324 S325	K295-C336 WeakPolarHBondContact CE-O 3.36Å; K295-C336 PolarHBondContact NZ-O 3.18Å; A299-C336 PolarHBondContact N-O 2.84Å; C314-C336 VanDerWaalsContact CA-SG 3.52Å; C314-C336 HydrophobicContact CB-CB 3.46Å; C314-C336 VanDerWaalsContact CB-CB 3.46Å; C314-C336 WeakPolarHBondContact CB-SG 3.36Å; C314-C336 WeakPolarHBondContact SG-CB 3.15Å; C314-C336 CovalentContact SG-SG 2Å; C314-C336 PolarHBondContact SG-SG 3.37Å; P324-C336 HydrophobicContact CB-CB 4.31Å; P324-C336 VanDerWaalsContact O-CB 3.3Å; P324-C336 WeakPolarHBondContact O-CB 3.14Å; P324-C336 PolarHBondContact O-N 3.17Å; S325-C336 VanDerWaalsContact C-SG 3.57Å
337	F	70.6	Confident	60.8	Low	7 Å²	7	73.8 Å²	73.8	3%	0.031	38%	0.383	C	S	.	.	S	Bend	trans	-129.1	130.7	178.9	-57.6	-93.2	0	0	0	108.2	Y259 I271 T293 K295 P324	Y259-F337 WeakPolarHBondContact OH-CE1 3.31Å; Y259-F337 WeakPolarHBondContact OH-CZ 3.34Å; I271-F337 HydrophobicContact CB-CB 3.81Å; I271-F337 HydrophobicContact CB-CG 4.29Å; I271-F337 HydrophobicContact CG2-CB 3.68Å; T293-F337 HydrophobicContact CG2-CE2 4.5Å; K295-F337 HydrophobicContact CB-CZ 4.08Å; K295-F337 HydrophobicContact CD-CD1 4.41Å; K295-F337 HydrophobicContact CD-CE1 3.86Å; K295-F337 HydrophobicContact CD-CE2 4.36Å; K295-F337 HydrophobicContact CD-CZ 3.83Å; P324-F337 HydrophobicContact CB-CD2 3.83Å; P324-F337 HydrophobicContact CB-CE2 3.87Å; P324-F337 HydrophobicContact CG-CD2 3.77Å; P324-F337 HydrophobicContact CG-CE2 4.01Å
338	P	62.3	Low	58.5	Low	58 Å²	58	78.2 Å²	78.2	38%	0.377	41%	0.408	S	S	.	.			trans	-55.5	145.3	157.8	24.3	-33.4	0	0	0	109.5	G269 C270 I271	G269-P338 VanDerWaalsContact O-CD 3.29Å; G269-P338 WeakPolarHBondContact O-CD 3.48Å; C270-P338 CarbonylContact C-O 3.45Å; C270-P338 WeakPolarHBondContact CA-O 3.23Å; C270-P338 HydrophobicContact CB-CB 4.5Å; C270-P338 HydrophobicContact CB-CG 3.96Å; C270-P338 WeakPolarHBondContact CB-O 3.49Å; I271-P338 PolarHBondContact N-O 3.18Å
339	V	54.7	Low	56.5	Low	39 Å²	39	80.5 Å²	80.5	24%	0.236	42%	0.418	C	S	.	.	B	Isolated β-bridge	trans	-71	131.2	169.9	-178.4	0	0	0	0	108	I271 E273 M276 I323 R341	I271-V339 CarbonylContact O-C 3.48Å; I271-V339 WeakPolarHBondContact O-CA 3.05Å; E273-V339 HydrophobicContact CG-CG1 4.06Å; M276-V339 HydrophobicContact SD-CG2 4.09Å; I323-V339 HydrophobicContact CG2-CG2 4.27Å; V339-R341 PolarHBondContact O-N 3.32Å
340	C	47.1	Very low	54.6	Low	19 Å²	19	78.5 Å²	78.5	13%	0.128	41%	0.406	C	S	.	.			trans	-65.6	97.9	170.7	-54	0	0	0	0	107.9	C270 I271 K342	C270-C340 HydrophobicContact CB-CB 4Å; C270-C340 WeakPolarHBondContact CB-SG 3.41Å; C270-C340 VanDerWaalsContact SG-CA 3.53Å; C270-C340 WeakPolarHBondContact SG-CB 3.06Å; C270-C340 CovalentContact SG-SG 2.03Å; C270-C340 PolarHBondContact SG-SG 3.15Å; I271-C340 PolarHBondContact N-SG 3.41Å; I271-C340 PolarHBondContact O-N 3.35Å; C340-K342 PolarHBondContact O-N 2.95Å
341	R	45.4	Very low	53.2	Low	230 Å²	230	83.8 Å²	83.8	87%	0.868	41%	0.411	S	S	*	.			trans	-55.4	135.1	159.8	-69.4	-175.8	177.5	-179.9	-1.4	106.7	V339 H343	V339-R341 PolarHBondContact O-N 3.32Å; R341-H343 PolarHBondContact O-N 3.17Å; R341-H343 VanDerWaalsContact O-N 3.1Å
342	K	39.7	Very low	51.7	Low	206 Å²	206	85.3 Å²	85.3	90%	0.896	41%	0.411	S	S	*	.			trans	-41.2	123.3	175.4	-92.8	-175.3	171.3	-175.7	0	108.9	C340 D344	C340-K342 PolarHBondContact O-N 2.95Å; K342-D344 PolarHBondContact O-N 3Å
343	H	36.1	Very low	50.3	Low	114 Å²	114	83.3 Å²	83.3	53%	0.528	40%	0.4	S	S	.	.			trans	-64.5	97.3	-179.4	-74.2	-74.6	0	0	0	109.1	H267 R341 P345	H267-H343 AromaticContact CG-NE2 3.82Å; R341-H343 PolarHBondContact O-N 3.17Å; R341-H343 VanDerWaalsContact O-N 3.1Å; H343-P345 VanDerWaalsContact O-CD 3.28Å; H343-P345 WeakPolarHBondContact O-CD 3.27Å
344	D	35.3	Very low	48.6	Very low	72 Å²	72	79.6 Å²	79.6	39%	0.385	38%	0.384	S	S	.	.			trans	-70.9	113.8	156.2	-177.2	-14	0	0	0	107.2	K342 Q346 L347	K342-D344 PolarHBondContact O-N 3Å; D344-Q346 PolarHBondContact O-N 3.34Å; D344-Q346 VanDerWaalsContact O-N 3.16Å; D344-Q346 VanDerWaalsContact OD1-CB 3.28Å; D344-Q346 WeakPolarHBondContact OD1-CB 3.08Å; D344-Q346 WeakPolarHBondContact OD1-CG 3.28Å; D344-Q346 PolarHBondContact OD1-N 3.36Å; D344-L347 HydrophobicContact CB-CD1 3.97Å; D344-L347 HydrophobicContact CB-CG 4.04Å; D344-L347 PolarHBondContact O-N 2.71Å
345	P	35.1	Very low	47.2	Very low	71 Å²	71	83.4 Å²	83.4	46%	0.461	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-59.1	-26.3	-179.4	-22.9	35.4	0	0	0	112.7	H343 L347 N348	H343-P345 VanDerWaalsContact O-CD 3.28Å; H343-P345 WeakPolarHBondContact O-CD 3.27Å; P345-L347 VanDerWaalsContact C-N 3.28Å; P345-L347 PolarHBondContact O-N 3.29Å; P345-N348 PolarHBondContact O-N 3.17Å; P345-N348 PolarHBondContact O-ND2 3.15Å
346	Q	35.1	Very low	46.3	Very low	112 Å²	112	86.5 Å²	86.5	52%	0.523	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-70.3	-22.6	-178.3	-53.7	-172.8	14.8	0	0	112.6	D344 N348 H349	D344-Q346 PolarHBondContact O-N 3.34Å; D344-Q346 VanDerWaalsContact O-N 3.16Å; D344-Q346 VanDerWaalsContact OD1-CB 3.28Å; D344-Q346 WeakPolarHBondContact OD1-CB 3.08Å; D344-Q346 WeakPolarHBondContact OD1-CG 3.28Å; D344-Q346 PolarHBondContact OD1-N 3.36Å; Q346-N348 VanDerWaalsContact C-N 3.32Å; Q346-N348 PolarHBondContact O-N 2.78Å; Q346-H349 PolarHBondContact O-CD2 2.8Å; Q346-H349 VanDerWaalsContact O-CD2 3.28Å
347	L	35.9	Very low	45.7	Very low	103 Å²	103	89.6 Å²	89.6	54%	0.539	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-81.6	-6.3	179.2	-63.3	177.5	0	0	0	113.8	D344 P345 H349 I350	D344-L347 HydrophobicContact CB-CD1 3.97Å; D344-L347 HydrophobicContact CB-CG 4.04Å; D344-L347 PolarHBondContact O-N 2.71Å; P345-L347 VanDerWaalsContact C-N 3.28Å; P345-L347 PolarHBondContact O-N 3.29Å; L347-H349 PolarHBondContact O-N 3.13Å; L347-H349 VanDerWaalsContact O-N 3.15Å; L347-I350 HydrophobicContact CD2-CD1 3.66Å; L347-I350 WeakPolarHBondContact O-CB 3.26Å; L347-I350 PolarHBondContact O-N 2.87Å
348	N	36.8	Very low	45.2	Very low	112 Å²	112	95.8 Å²	95.8	60%	0.599	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-65.4	-14.2	176.1	-80	-47.2	0	0	0	114.1	P345 Q346 I350	P345-N348 PolarHBondContact O-N 3.17Å; P345-N348 PolarHBondContact O-ND2 3.15Å; Q346-N348 VanDerWaalsContact C-N 3.32Å; Q346-N348 PolarHBondContact O-N 2.78Å; N348-I350 VanDerWaalsContact C-N 3.28Å
349	H	43.2	Very low	45.6	Very low	54 Å²	54	100.6 Å²	100.6	25%	0.25	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-84.8	-0.4	179.1	-53.6	-53.2	0	0	0	113.7	Q346 L347 I377	Q346-H349 PolarHBondContact O-CD2 2.8Å; Q346-H349 VanDerWaalsContact O-CD2 3.28Å; L347-H349 PolarHBondContact O-N 3.13Å; L347-H349 VanDerWaalsContact O-N 3.15Å; H349-I377 PolarHBondContact O-N 2.87Å
350	I	38.8	Very low	46.2	Very low	55 Å²	55	102.7 Å²	102.7	28%	0.282	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	102.1	-171.5	-54.7	-164.4	0	0	0	109.6	L347 N348 I377 F379	L347-I350 HydrophobicContact CD2-CD1 3.66Å; L347-I350 WeakPolarHBondContact O-CB 3.26Å; L347-I350 PolarHBondContact O-N 2.87Å; N348-I350 VanDerWaalsContact C-N 3.28Å; I350-I377 HydrophobicContact CD1-CD1 3.85Å; I350-I377 HydrophobicContact CG1-CD1 3.81Å; I350-I377 HydrophobicContact CG1-CG1 4.38Å; I350-F379 HydrophobicContact CG2-CE2 3.47Å; I350-F379 VanDerWaalsContact CG2-CE2 3.47Å; I350-F379 HydrophobicContact CG2-CZ 3.75Å
351	R	42.1	Very low	47.1	Very low	160 Å²	160	102 Å²	102	60%	0.604	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.4	175.6	-70.8	-168.4	-179.8	-159.7	1.2	111.6	L353	R351-L353 HydrophobicContact CB-CD2 4.17Å; R351-L353 PolarHBondContact O-N 3.17Å
352	H	41.7	Very low	48	Very low	136 Å²	136	94.3 Å²	94.3	63%	0.63	44%	0.44	S	S	*	.			trans	-75.5	102.8	172.7	-169.9	-74.6	0	0	0	110.6	F379	H352-F379 HydrophobicContact CB-CD2 4.49Å
353	L	45.7	Very low	49.6	Very low	55 Å²	55	87.2 Å²	87.2	29%	0.288	41%	0.414	S	S	.	.			trans	-94.8	-7.7	-177.7	-61	-172.7	0	0	0	114.3	R351 R356 I364 L378	R351-L353 HydrophobicContact CB-CD2 4.17Å; R351-L353 PolarHBondContact O-N 3.17Å; L353-R356 VanDerWaalsContact O-CZ 3.32Å; L353-R356 PolarHBondContact O-NH1 3.26Å; L353-R356 PolarHBondContact O-NH2 3.46Å; L353-I364 HydrophobicContact CD1-CD1 3.88Å; L353-I364 HydrophobicContact CD1-CG2 4.33Å; L353-L378 HydrophobicContact CD1-CD2 3.56Å; L353-L378 HydrophobicContact CG-CD2 4.44Å
354	G	41.7	Very low	51	Low	14 Å²	14	84.1 Å²	84.1	14%	0.144	40%	0.401	C	S	.	.			trans	68.7	177.8	-166.8	0	0	0	0	0	112	R356 F379 S381	G354-R356 PolarHBondContact O-N 2.99Å; G354-F379 CarbonylContact C-O 3.55Å; G354-F379 VanDerWaalsContact O-O 3.05Å; G354-S381 WeakPolarHBondContact CA-OG 3.37Å
355	Y	49.2	Very low	52.4	Low	110 Å²	110	81.2 Å²	81.2	43%	0.431	39%	0.385	S	S	.	.	S	Bend	trans	-51.7	131	-178.4	-173	-98.4	0	0	0	112.6	P380 S381 R382	Y355-P380 HydrophobicContact CD2-CB 4.47Å; Y355-S381 PolarHBondContact N-OG 2.95Å; Y355-R382 HydrophobicContact CD2-CB 4Å; Y355-R382 HydrophobicContact CD2-CG 3.93Å; Y355-R382 HydrophobicContact CE2-CB 4.08Å; Y355-R382 HydrophobicContact CE2-CG 3.96Å
356	R	59.2	Low	53.9	Low	89 Å²	89	80.8 Å²	80.8	34%	0.336	38%	0.383	S	S	.	.			trans	-147	146.2	176.3	-71.3	-59.4	-178.3	-67.4	-8.8	108	L353 G354 E360 L361	L353-R356 VanDerWaalsContact O-CZ 3.32Å; L353-R356 PolarHBondContact O-NH1 3.26Å; L353-R356 PolarHBondContact O-NH2 3.46Å; G354-R356 PolarHBondContact O-N 2.99Å; R356-E360 HydrophobicContact CB-CB 4.14Å; R356-E360 WeakPolarHBondContact CD-OE1 3.03Å; R356-L361 HydrophobicContact CB-CD2 3.48Å; R356-L361 VanDerWaalsContact CB-CD2 3.48Å; R356-L361 HydrophobicContact CB-CG 3.93Å; R356-L361 HydrophobicContact CG-CD2 4.05Å
357	T	64.6	Low	55.5	Low	65 Å²	65	81.9 Å²	81.9	40%	0.399	39%	0.387	S	S	.	.			trans	-69.8	151.8	172.3	62.3	0	0	0	0	110.7	K359 E360 L361	T357-K359 PolarHBondContact O-N 2.79Å; T357-K359 VanDerWaalsContact O-N 3.1Å; T357-E360 WeakPolarHBondContact CB-OE2 3.28Å; T357-E360 PolarHBondContact N-OE2 3.19Å; T357-E360 WeakPolarHBondContact O-CA 3.19Å; T357-E360 WeakPolarHBondContact O-CB 3.35Å; T357-E360 PolarHBondContact O-N 2.77Å; T357-E360 WeakPolarHBondContact OG1-CG 3.41Å; T357-E360 PolarHBondContact OG1-N 3.25Å; T357-E360 PolarHBondContact OG1-OE2 3.43Å; T357-L361 WeakPolarHBondContact O-CG 3.25Å; T357-L361 PolarHBondContact O-N 3.05Å; T357-L361 VanDerWaalsContact O-N 3.1Å
358	R	60.5	Low	56.7	Low	137 Å²	137	77.5 Å²	77.5	52%	0.517	37%	0.365	S	S	.	.	H	α-helix	trans	-45.6	-43.8	174.9	176	175	174.2	150.8	6.3	113.1	E360 L361 E362	R358-E360 PolarHBondContact O-N 2.96Å; R358-L361 WeakPolarHBondContact O-CB 3.2Å; R358-L361 PolarHBondContact O-N 3.13Å; R358-L361 VanDerWaalsContact O-N 3.13Å; R358-E362 HydrophobicContact CG-CG 4.37Å; R358-E362 WeakPolarHBondContact CG-OE1 3.34Å; R358-E362 IonicContact CZ-OE1 2.74Å; R358-E362 IonicContact NE-OE1 3.15Å; R358-E362 PolarHBondContact NE-OE1 2.87Å; R358-E362 IonicContact NH2-OE1 3.05Å; R358-E362 WeakPolarHBondContact O-CG 3.25Å; R358-E362 PolarHBondContact O-N 3.24Å
359	K	70	Confident	57.6	Low	160 Å²	160	74.7 Å²	74.7	70%	0.696	35%	0.354	S	S	*	.	H	α-helix	trans	-63.4	-35.9	178.6	-172.2	176.6	-177.5	178.6	0	113.4	T357 T363	T357-K359 PolarHBondContact O-N 2.79Å; T357-K359 VanDerWaalsContact O-N 3.1Å; K359-T363 WeakPolarHBondContact O-CB 3.26Å; K359-T363 PolarHBondContact O-N 3.08Å; K359-T363 PolarHBondContact O-OG1 2.83Å
360	E	67.5	Low	58	Low	83 Å²	83	80.1 Å²	80.1	39%	0.388	38%	0.379	S	S	.	.	H	α-helix	trans	-69.5	-38	173.5	-70.9	166.4	110	0	0	111.2	R356 T357 R358 T363 I364	R356-E360 HydrophobicContact CB-CB 4.14Å; R356-E360 WeakPolarHBondContact CD-OE1 3.03Å; T357-E360 WeakPolarHBondContact CB-OE2 3.28Å; T357-E360 PolarHBondContact N-OE2 3.19Å; T357-E360 WeakPolarHBondContact O-CA 3.19Å; T357-E360 WeakPolarHBondContact O-CB 3.35Å; T357-E360 PolarHBondContact O-N 2.77Å; T357-E360 WeakPolarHBondContact OG1-CG 3.41Å; T357-E360 PolarHBondContact OG1-N 3.25Å; T357-E360 PolarHBondContact OG1-OE2 3.43Å; R358-E360 PolarHBondContact O-N 2.96Å; E360-T363 WeakPolarHBondContact O-CB 3.2Å; E360-T363 PolarHBondContact O-N 3.38Å; E360-I364 WeakPolarHBondContact O-CD1 3.3Å; E360-I364 WeakPolarHBondContact O-CG1 3.48Å; E360-I364 PolarHBondContact O-N 3.4Å
361	L	64.6	Low	58.6	Low	3 Å²	3	84.9 Å²	84.9	2%	0.016	40%	0.401	C	S	.	.	H	α-helix	trans	-66.6	-46.7	177.9	-59.6	-176	0	0	0	111.8	R356 T357 R358 T363 I364 E365 L378 P380 Y391	R356-L361 HydrophobicContact CB-CD2 3.48Å; R356-L361 VanDerWaalsContact CB-CD2 3.48Å; R356-L361 HydrophobicContact CB-CG 3.93Å; R356-L361 HydrophobicContact CG-CD2 4.05Å; T357-L361 WeakPolarHBondContact O-CG 3.25Å; T357-L361 PolarHBondContact O-N 3.05Å; T357-L361 VanDerWaalsContact O-N 3.1Å; R358-L361 WeakPolarHBondContact O-CB 3.2Å; R358-L361 PolarHBondContact O-N 3.13Å; R358-L361 VanDerWaalsContact O-N 3.13Å; L361-T363 VanDerWaalsContact C-N 3.26Å; L361-T363 PolarHBondContact O-N 2.76Å; L361-I364 HydrophobicContact CD2-CD1 4.47Å; L361-I364 PolarHBondContact O-N 3.45Å; L361-I364 VanDerWaalsContact O-N 3.11Å; L361-E365 WeakPolarHBondContact O-CB 3.22Å; L361-E365 PolarHBondContact O-N 3.07Å; L361-L378 HydrophobicContact CB-CD1 3.87Å; L361-L378 HydrophobicContact CD1-CB 4.43Å; L361-L378 HydrophobicContact CD2-CB 3.68Å; L361-L378 HydrophobicContact CD2-CD1 3.89Å; L361-L378 HydrophobicContact CD2-CG 4.34Å; L361-L378 HydrophobicContact CG-CB 4.49Å; L361-L378 HydrophobicContact CG-CD1 4.43Å; L361-P380 HydrophobicContact CD1-CB 4.15Å; L361-P380 HydrophobicContact CD1-CG 4.11Å; L361-Y391 HydrophobicContact CB-CD1 3.9Å; L361-Y391 HydrophobicContact CB-CD2 3.92Å; L361-Y391 HydrophobicContact CB-CE1 4.02Å; L361-Y391 HydrophobicContact CB-CE2 4.05Å; L361-Y391 HydrophobicContact CB-CG 3.85Å; L361-Y391 VanDerWaalsContact CD1-CB 3.42Å; L361-Y391 HydrophobicContact CD1-CD1 4.34Å; L361-Y391 HydrophobicContact CD1-CD2 3.97Å; L361-Y391 HydrophobicContact CD1-CG 3.66Å; L361-Y391 HydrophobicContact CG-CG 4.37Å
362	E	65.7	Low	58.5	Low	69 Å²	69	80.6 Å²	80.6	32%	0.322	41%	0.406	S	S	.	.	H	α-helix	trans	-57.9	-37.2	170.5	-69.8	165	171.7	0	0	111.8	R358 S366 Y391	R358-E362 HydrophobicContact CG-CG 4.37Å; R358-E362 WeakPolarHBondContact CG-OE1 3.34Å; R358-E362 IonicContact CZ-OE1 2.74Å; R358-E362 IonicContact NE-OE1 3.15Å; R358-E362 PolarHBondContact NE-OE1 2.87Å; R358-E362 IonicContact NH2-OE1 3.05Å; R358-E362 WeakPolarHBondContact O-CG 3.25Å; R358-E362 PolarHBondContact O-N 3.24Å; E362-S366 WeakPolarHBondContact O-CB 3.45Å; E362-S366 PolarHBondContact O-N 2.84Å; E362-S366 PolarHBondContact O-OG 2.95Å; E362-Y391 HydrophobicContact CG-CE2 4.09Å; E362-Y391 VanDerWaalsContact CG-OH 3.3Å; E362-Y391 WeakPolarHBondContact CG-OH 3.42Å
363	T	72.8	Confident	58.6	Low	58 Å²	58	76.9 Å²	76.9	36%	0.356	39%	0.393	S	S	.	.	H	α-helix	trans	-68.9	-36.6	175.5	-60.2	0	0	0	0	112.2	K359 E360 L361 S366 K367	K359-T363 WeakPolarHBondContact O-CB 3.26Å; K359-T363 PolarHBondContact O-N 3.08Å; K359-T363 PolarHBondContact O-OG1 2.83Å; E360-T363 WeakPolarHBondContact O-CB 3.2Å; E360-T363 PolarHBondContact O-N 3.38Å; L361-T363 VanDerWaalsContact C-N 3.26Å; L361-T363 PolarHBondContact O-N 2.76Å; T363-S366 PolarHBondContact O-OG 3.47Å; T363-K367 HydrophobicContact CG2-CD 4.31Å; T363-K367 VanDerWaalsContact O-CG 3.32Å; T363-K367 WeakPolarHBondContact O-CG 3.34Å; T363-K367 PolarHBondContact O-N 2.91Å
364	I	65.2	Low	58.3	Low	49 Å²	49	76.8 Å²	76.8	25%	0.251	40%	0.396	S	S	.	.	H	α-helix	trans	-71.8	-46.5	177.8	-70.8	159.5	0	0	0	110.1	L353 E360 L361 S366 K367 A368 L378	L353-I364 HydrophobicContact CD1-CD1 3.88Å; L353-I364 HydrophobicContact CD1-CG2 4.33Å; E360-I364 WeakPolarHBondContact O-CD1 3.3Å; E360-I364 WeakPolarHBondContact O-CG1 3.48Å; E360-I364 PolarHBondContact O-N 3.4Å; L361-I364 HydrophobicContact CD2-CD1 4.47Å; L361-I364 PolarHBondContact O-N 3.45Å; L361-I364 VanDerWaalsContact O-N 3.11Å; I364-S366 PolarHBondContact O-N 3.03Å; I364-K367 PolarHBondContact O-N 3.46Å; I364-A368 WeakPolarHBondContact O-CB 3.29Å; I364-A368 PolarHBondContact O-N 3.36Å; I364-L378 HydrophobicContact CB-CD1 4.35Å; I364-L378 HydrophobicContact CG2-CD1 4.2Å; I364-L378 HydrophobicContact CG2-CD2 3.99Å
365	E	65.1	Low	58.5	Low	11 Å²	11	77.8 Å²	77.8	5%	0.051	40%	0.4	C	S	.	.	H	α-helix	trans	-58	-45.3	176.1	-173.7	-174.5	169.7	0	0	111.7	L361 A368 S369 Y391 G393 T394	L361-E365 WeakPolarHBondContact O-CB 3.22Å; L361-E365 PolarHBondContact O-N 3.07Å; E365-A368 PolarHBondContact O-N 3.09Å; E365-S369 VanDerWaalsContact O-CB 3.23Å; E365-S369 WeakPolarHBondContact O-CB 3.32Å; E365-S369 PolarHBondContact O-N 3.05Å; E365-S369 PolarHBondContact O-OG 3.02Å; E365-Y391 VanDerWaalsContact OE2-CE1 3.31Å; E365-Y391 WeakPolarHBondContact OE2-CE1 3.19Å; E365-Y391 PolarHBondContact OE2-OH 3.28Å; E365-G393 WeakPolarHBondContact OE2-CA 3.36Å; E365-T394 PolarHBondContact OE1-N 3.15Å; E365-T394 PolarHBondContact OE1-OG1 3.39Å; E365-T394 PolarHBondContact OE2-N 2.72Å
366	S	66.6	Low	58.4	Low	61 Å²	61	74 Å²	74	43%	0.427	39%	0.385	S	S	.	.	H	α-helix	trans	-65.4	-41.3	179.2	58.7	0	0	0	0	112.9	E362 T363 I364 Q370	E362-S366 WeakPolarHBondContact O-CB 3.45Å; E362-S366 PolarHBondContact O-N 2.84Å; E362-S366 PolarHBondContact O-OG 2.95Å; T363-S366 PolarHBondContact O-OG 3.47Å; I364-S366 PolarHBondContact O-N 3.03Å; S366-Q370 WeakPolarHBondContact O-CG 3.28Å
367	K	69.1	Low	57.7	Low	136 Å²	136	70.1 Å²	70.1	59%	0.591	37%	0.371	S	S	*	.	H	α-helix	trans	-66.7	-39	176.1	-74.5	176.8	179.5	-178.2	0	112.8	T363 I364	T363-K367 HydrophobicContact CG2-CD 4.31Å; T363-K367 VanDerWaalsContact O-CG 3.32Å; T363-K367 WeakPolarHBondContact O-CG 3.34Å; T363-K367 PolarHBondContact O-N 2.91Å; I364-K367 PolarHBondContact O-N 3.46Å
368	A	60.2	Low	56.9	Low	11 Å²	11	67.1 Å²	67.1	9%	0.091	35%	0.353	C	S	.	.	H	α-helix	trans	-82.5	-29.6	-176.4	0	0	0	0	0	112.9	I364 E365 Q370 Q371 F376	I364-A368 WeakPolarHBondContact O-CB 3.29Å; I364-A368 PolarHBondContact O-N 3.36Å; E365-A368 PolarHBondContact O-N 3.09Å; A368-Q370 PolarHBondContact O-N 3.04Å; A368-Q371 PolarHBondContact O-N 3.02Å; A368-F376 HydrophobicContact CB-CD2 3.98Å; A368-F376 HydrophobicContact CB-CE1 4.37Å; A368-F376 HydrophobicContact CB-CE2 3.17Å; A368-F376 HydrophobicContact CB-CZ 3.4Å; A368-F376 VanDerWaalsContact CB-CZ 3.4Å
369	S	55.1	Low	56.3	Low	52 Å²	52	63.1 Å²	63.1	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-59.6	-29.3	169.8	-64.2	0	0	0	0	112.6	E365 Q371	E365-S369 VanDerWaalsContact O-CB 3.23Å; E365-S369 WeakPolarHBondContact O-CB 3.32Å; E365-S369 PolarHBondContact O-N 3.05Å; E365-S369 PolarHBondContact O-OG 3.02Å; S369-Q371 PolarHBondContact O-N 3.45Å
370	Q	52.9	Low	55	Low	168 Å²	168	56.1 Å²	56.1	79%	0.785	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-13.3	175.5	-70.9	174.9	-2.7	0	0	113.5	S366 A368	S366-Q370 WeakPolarHBondContact O-CG 3.28Å; A368-Q370 PolarHBondContact O-N 3.04Å
371	Q	51.6	Low	53.6	Low	156 Å²	156	55.1 Å²	55.1	73%	0.729	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	8.6	-178.2	-63.8	-175.9	-17	0	0	113.2	A368 S369 V373	A368-Q371 PolarHBondContact O-N 3.02Å; S369-Q371 PolarHBondContact O-N 3.45Å; Q371-V373 HydrophobicContact CB-CG2 4.04Å; Q371-V373 PolarHBondContact O-N 3.23Å
372	G	39.8	Very low	52.5	Low	70 Å²	70	62.6 Å²	62.6	72%	0.722	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	18.3	-178.5	0	0	0	0	0	114.2
373	V	42.6	Very low	51.1	Low	58 Å²	58	69.6 Å²	69.6	35%	0.352	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-85.7	131.7	179.4	-170.5	0	0	0	0	109.7	Q371 F376	Q371-V373 HydrophobicContact CB-CG2 4.04Å; Q371-V373 PolarHBondContact O-N 3.23Å; V373-F376 HydrophobicContact CB-CE2 3.84Å; V373-F376 HydrophobicContact CB-CZ 3.9Å; V373-F376 HydrophobicContact CG1-CE1 4.41Å; V373-F376 HydrophobicContact CG1-CE2 3.64Å; V373-F376 HydrophobicContact CG1-CZ 3.44Å; V373-F376 VanDerWaalsContact CG1-CZ 3.44Å
374	P	40.9	Very low	49.8	Very low	53 Å²	53	71.8 Å²	71.8	34%	0.344	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-60.5	158.8	177.3	-23	34.4	0	0	0	112.8
375	P	45	Very low	48.6	Very low	35 Å²	35	78.1 Å²	78.1	23%	0.227	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-59.3	140.7	-166.5	23.1	-33.7	0	0	0	113.1	Y398	P375-Y398 HydrophobicContact CG-CD2 3.91Å; P375-Y398 HydrophobicContact CG-CE2 4.46Å
376	F	48	Very low	47.4	Very low	30 Å²	30	85.7 Å²	85.7	13%	0.132	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-91.7	133.9	-171.6	-69.2	-109	0	0	0	111.2	A368 V373 L378	A368-F376 HydrophobicContact CB-CD2 3.98Å; A368-F376 HydrophobicContact CB-CE1 4.37Å; A368-F376 HydrophobicContact CB-CE2 3.17Å; A368-F376 HydrophobicContact CB-CZ 3.4Å; A368-F376 VanDerWaalsContact CB-CZ 3.4Å; V373-F376 HydrophobicContact CB-CE2 3.84Å; V373-F376 HydrophobicContact CB-CZ 3.9Å; V373-F376 HydrophobicContact CG1-CE1 4.41Å; V373-F376 HydrophobicContact CG1-CE2 3.64Å; V373-F376 HydrophobicContact CG1-CZ 3.44Å; V373-F376 VanDerWaalsContact CG1-CZ 3.44Å; F376-L378 HydrophobicContact CB-CD2 3.54Å; F376-L378 HydrophobicContact CB-CG 3.91Å; F376-L378 HydrophobicContact CD1-CD2 4.28Å; F376-L378 HydrophobicContact CG-CD2 4.22Å; F376-L378 PolarHBondContact O-N 3.34Å
377	I	44.3	Very low	46.3	Very low	8 Å²	8	84.1 Å²	84.1	4%	0.041	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	118.6	155	-52.5	-175.7	0	0	0	107.3	H349 I350 F379 V390 F402 L405	H349-I377 PolarHBondContact O-N 2.87Å; I350-I377 HydrophobicContact CD1-CD1 3.85Å; I350-I377 HydrophobicContact CG1-CD1 3.81Å; I350-I377 HydrophobicContact CG1-CG1 4.38Å; I377-F379 HydrophobicContact CG2-CD2 4.39Å; I377-F379 HydrophobicContact CG2-CE1 4.35Å; I377-F379 HydrophobicContact CG2-CE2 4.03Å; I377-F379 HydrophobicContact CG2-CZ 4Å; I377-V390 HydrophobicContact CG2-CG1 3.94Å; I377-F402 HydrophobicContact CD1-CD1 3.71Å; I377-F402 HydrophobicContact CD1-CE1 3.49Å; I377-F402 VanDerWaalsContact CD1-CE1 3.49Å; I377-F402 HydrophobicContact CD1-CZ 4.24Å; I377-F402 HydrophobicContact CG1-CE1 4.04Å; I377-F402 HydrophobicContact CG1-CZ 4.3Å; I377-L405 HydrophobicContact CD1-CD1 4.28Å
378	L	47.7	Very low	45	Very low	1 Å²	1	84.9 Å²	84.9	1%	0.005	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.1	175.5	-49.2	172	0	0	0	107.9	L353 L361 I364 F376 P380 Y391	L353-L378 HydrophobicContact CD1-CD2 3.56Å; L353-L378 HydrophobicContact CG-CD2 4.44Å; L361-L378 HydrophobicContact CB-CD1 3.87Å; L361-L378 HydrophobicContact CD1-CB 4.43Å; L361-L378 HydrophobicContact CD2-CB 3.68Å; L361-L378 HydrophobicContact CD2-CD1 3.89Å; L361-L378 HydrophobicContact CD2-CG 4.34Å; L361-L378 HydrophobicContact CG-CB 4.49Å; L361-L378 HydrophobicContact CG-CD1 4.43Å; I364-L378 HydrophobicContact CB-CD1 4.35Å; I364-L378 HydrophobicContact CG2-CD1 4.2Å; I364-L378 HydrophobicContact CG2-CD2 3.99Å; F376-L378 HydrophobicContact CB-CD2 3.54Å; F376-L378 HydrophobicContact CB-CG 3.91Å; F376-L378 HydrophobicContact CD1-CD2 4.28Å; F376-L378 HydrophobicContact CG-CD2 4.22Å; F376-L378 PolarHBondContact O-N 3.34Å; L378-P380 WeakPolarHBondContact O-CD 3.19Å; L378-Y391 HydrophobicContact CB-CD1 4.18Å; L378-Y391 HydrophobicContact CD1-CD1 3.74Å; L378-Y391 HydrophobicContact CD1-CE1 3.9Å; L378-Y391 HydrophobicContact CG-CD1 4.2Å; L378-Y391 PolarHBondContact O-N 2.87Å
379	F	47.6	Very low	44.4	Very low	54 Å²	54	87.3 Å²	87.3	24%	0.237	44%	0.437	C	S	.	.			trans	-92.8	100.3	178.4	-61.5	-91.4	0	0	0	111.6	I350 H352 G354 I377 S381	I350-F379 HydrophobicContact CG2-CE2 3.47Å; I350-F379 VanDerWaalsContact CG2-CE2 3.47Å; I350-F379 HydrophobicContact CG2-CZ 3.75Å; H352-F379 HydrophobicContact CB-CD2 4.49Å; G354-F379 CarbonylContact C-O 3.55Å; G354-F379 VanDerWaalsContact O-O 3.05Å; I377-F379 HydrophobicContact CG2-CD2 4.39Å; I377-F379 HydrophobicContact CG2-CE1 4.35Å; I377-F379 HydrophobicContact CG2-CE2 4.03Å; I377-F379 HydrophobicContact CG2-CZ 4Å; F379-S381 PolarHBondContact O-N 3.42Å
380	P	43.3	Very low	44.2	Very low	12 Å²	12	85.6 Å²	85.6	8%	0.078	42%	0.424	C	S	.	.			trans	-71	92.5	163	30.2	-32.8	0	0	0	109.1	Y355 L361 L378 R382 E389	Y355-P380 HydrophobicContact CD2-CB 4.47Å; L361-P380 HydrophobicContact CD1-CB 4.15Å; L361-P380 HydrophobicContact CD1-CG 4.11Å; L378-P380 WeakPolarHBondContact O-CD 3.19Å; P380-R382 VanDerWaalsContact C-N 3.33Å; P380-R382 PolarHBondContact O-N 2.72Å; P380-E389 HydrophobicContact CG-CB 4.15Å
381	S	37.4	Very low	44.3	Very low	62 Å²	62	78.8 Å²	78.8	43%	0.434	39%	0.392	S	S	.	.			trans	-70.1	82	-176	71	0	0	0	0	113.1	G354 Y355 F379	G354-S381 WeakPolarHBondContact CA-OG 3.37Å; Y355-S381 PolarHBondContact N-OG 2.95Å; F379-S381 PolarHBondContact O-N 3.42Å
382	R	40.7	Very low	44.2	Very low	161 Å²	161	72.2 Å²	72.2	61%	0.608	36%	0.363	S	S	*	.			trans	-115.4	118.4	154.2	-114.7	-175.1	177.3	-173.3	-2	108.5	Y355 P380 Q384	Y355-R382 HydrophobicContact CD2-CB 4Å; Y355-R382 HydrophobicContact CD2-CG 3.93Å; Y355-R382 HydrophobicContact CE2-CB 4.08Å; Y355-R382 HydrophobicContact CE2-CG 3.96Å; P380-R382 VanDerWaalsContact C-N 3.33Å; P380-R382 PolarHBondContact O-N 2.72Å; R382-Q384 PolarHBondContact O-N 3.42Å
383	R	37.8	Very low	44.9	Very low	216 Å²	216	69.8 Å²	69.8	82%	0.815	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	107.2	169.5	-152.4	-178.8	-164.4	-169.9	2	106.2
384	Q	44.6	Very low	45.4	Very low	104 Å²	104	71.5 Å²	71.5	49%	0.486	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	163.6	163.7	-57.9	-151.8	27.7	0	0	108.1	R382 E386 G387 E389	R382-Q384 PolarHBondContact O-N 3.42Å; Q384-E386 PolarHBondContact O-N 3.38Å; Q384-E386 VanDerWaalsContact O-N 3.16Å; Q384-G387 PolarHBondContact N-O 3.08Å; Q384-E389 PolarHBondContact NE2-OE1 3.08Å
385	E	39.9	Very low	45.8	Very low	182 Å²	182	75.6 Å²	75.6	85%	0.85	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-16.2	178.7	-67.2	-177	142.1	0	0	112.3
386	E	41.2	Very low	46	Very low	169 Å²	169	76.5 Å²	76.5	79%	0.79	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	-2.3	-171.8	-60.5	177.6	166.4	0	0	114.4	Q384	Q384-E386 PolarHBondContact O-N 3.38Å; Q384-E386 VanDerWaalsContact O-N 3.16Å
387	G	42.2	Very low	45.5	Very low	29 Å²	29	82.6 Å²	82.6	30%	0.299	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	165.2	-163.3	178.9	0	0	0	0	0	118.3	Q384	Q384-G387 PolarHBondContact N-O 3.08Å
388	Y	43.1	Very low	45.5	Very low	152 Å²	152	87 Å²	87	60%	0.596	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.6	177.1	-65	-86.1	0	0	0	110.3
389	E	46.8	Very low	45.1	Very low	62 Å²	62	89.5 Å²	89.5	29%	0.29	43%	0.429	S	S	.	.			trans	-72.4	130.4	167.2	-73.1	176.4	171.6	0	0	110.5	P380 Q384	P380-E389 HydrophobicContact CG-CB 4.15Å; Q384-E389 PolarHBondContact NE2-OE1 3.08Å
390	V	51	Low	44.9	Very low	15 Å²	15	92.7 Å²	92.7	9%	0.091	45%	0.445	C	S	.	.	B	Isolated β-bridge	trans	-124.7	129.9	176.4	-176.1	0	0	0	0	109.8	I377 L409	I377-V390 HydrophobicContact CG2-CG1 3.94Å; V390-L409 HydrophobicContact CB-CD2 3.96Å; V390-L409 HydrophobicContact CB-CG 4.46Å; V390-L409 HydrophobicContact CG1-CD2 4.14Å; V390-L409 HydrophobicContact CG2-CD2 4.21Å; V390-L409 HydrophobicContact CG2-CG 4.17Å
391	Y	54.2	Low	44.6	Very low	26 Å²	26	95.3 Å²	95.3	10%	0.102	46%	0.458	C	S	.	.	B	Isolated β-bridge	trans	-90.4	112.3	171.5	177.7	-89.6	0	0	0	109.6	L361 E362 E365 L378 G393	L361-Y391 HydrophobicContact CB-CD1 3.9Å; L361-Y391 HydrophobicContact CB-CD2 3.92Å; L361-Y391 HydrophobicContact CB-CE1 4.02Å; L361-Y391 HydrophobicContact CB-CE2 4.05Å; L361-Y391 HydrophobicContact CB-CG 3.85Å; L361-Y391 VanDerWaalsContact CD1-CB 3.42Å; L361-Y391 HydrophobicContact CD1-CD1 4.34Å; L361-Y391 HydrophobicContact CD1-CD2 3.97Å; L361-Y391 HydrophobicContact CD1-CG 3.66Å; L361-Y391 HydrophobicContact CG-CG 4.37Å; E362-Y391 HydrophobicContact CG-CE2 4.09Å; E362-Y391 VanDerWaalsContact CG-OH 3.3Å; E362-Y391 WeakPolarHBondContact CG-OH 3.42Å; E365-Y391 VanDerWaalsContact OE2-CE1 3.31Å; E365-Y391 WeakPolarHBondContact OE2-CE1 3.19Å; E365-Y391 PolarHBondContact OE2-OH 3.28Å; L378-Y391 HydrophobicContact CB-CD1 4.18Å; L378-Y391 HydrophobicContact CD1-CD1 3.74Å; L378-Y391 HydrophobicContact CD1-CE1 3.9Å; L378-Y391 HydrophobicContact CG-CD1 4.2Å; L378-Y391 PolarHBondContact O-N 2.87Å; Y391-G393 VanDerWaalsContact CE1-CA 3.48Å
392	C	51	Low	44.8	Very low	18 Å²	18	94.5 Å²	94.5	12%	0.122	45%	0.446	C	S	.	.			trans	-89.9	-0.8	-172.1	-57.9	0	0	0	0	114.5	M396 C411	C392-M396 HydrophobicContact CB-CE 3.6Å; C392-M396 HydrophobicContact CB-SD 3.86Å; C392-C411 HydrophobicContact CB-CB 3.78Å; C392-C411 WeakPolarHBondContact CB-SG 3.32Å; C392-C411 WeakPolarHBondContact SG-CA 3.39Å; C392-C411 WeakPolarHBondContact SG-CB 3.28Å; C392-C411 CovalentContact SG-SG 2.04Å; C392-C411 PolarHBondContact SG-SG 3.16Å
393	G	53.5	Low	44.8	Very low	19 Å²	19	96 Å²	96	20%	0.196	46%	0.457	C	S	.	.			trans	75.8	171	-179.5	0	0	0	0	0	114.8	E365 Y391	E365-G393 WeakPolarHBondContact OE2-CA 3.36Å; Y391-G393 VanDerWaalsContact CE1-CA 3.48Å
394	T	53.2	Low	44.9	Very low	93 Å²	93	93.7 Å²	93.7	57%	0.571	46%	0.456	S	S	*	.	S	Bend	trans	-94.3	-13.7	-179.4	62	0	0	0	0	113.8	E365	E365-T394 PolarHBondContact OE1-N 3.15Å; E365-T394 PolarHBondContact OE1-OG1 3.39Å; E365-T394 PolarHBondContact OE2-N 2.72Å
395	K	49.7	Very low	44.5	Very low	139 Å²	139	92 Å²	92	60%	0.604	45%	0.449	S	S	*	.			trans	-124.4	51.9	-175.7	-66.1	-173.6	178.7	-178	0	113.1	Q397	K395-Q397 VanDerWaalsContact C-N 3.29Å; K395-Q397 PolarHBondContact O-N 3.39Å
396	M	48.6	Very low	44.1	Very low	55 Å²	55	88.9 Å²	88.9	27%	0.271	45%	0.445	S	S	.	.			trans	-78.9	66.6	-172.1	-144.1	-171.2	-150.4	0	0	113.7	C392 Y398 A399 F402	C392-M396 HydrophobicContact CB-CE 3.6Å; C392-M396 HydrophobicContact CB-SD 3.86Å; M396-Y398 PolarHBondContact O-N 3.17Å; M396-Y398 VanDerWaalsContact O-N 3.08Å; M396-A399 HydrophobicContact CB-CB 4.41Å; M396-A399 HydrophobicContact CG-CB 4.05Å; M396-A399 PolarHBondContact O-N 3.46Å; M396-A399 HydrophobicContact SD-CB 3.67Å; M396-F402 HydrophobicContact CE-CD2 3.45Å; M396-F402 VanDerWaalsContact CE-CD2 3.45Å; M396-F402 HydrophobicContact CE-CE2 3.76Å; M396-F402 HydrophobicContact CE-CG 4.28Å; M396-F402 HydrophobicContact SD-CD2 4.44Å
397	Q	38.9	Very low	43.9	Very low	158 Å²	158	83 Å²	83	74%	0.738	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.7	171.5	-74.8	-177.9	-39.5	0	0	113.4	K395 H400	K395-Q397 VanDerWaalsContact C-N 3.29Å; K395-Q397 PolarHBondContact O-N 3.39Å; Q397-H400 PolarHBondContact O-CE1 2.93Å
398	Y	42.5	Very low	43.8	Very low	99 Å²	99	88.3 Å²	88.3	39%	0.388	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	18.7	-174.7	-60.6	-71	0	0	0	114.3	P375 M396 H400 L401 F402	P375-Y398 HydrophobicContact CG-CD2 3.91Å; P375-Y398 HydrophobicContact CG-CE2 4.46Å; M396-Y398 PolarHBondContact O-N 3.17Å; M396-Y398 VanDerWaalsContact O-N 3.08Å; Y398-H400 PolarHBondContact O-N 3.37Å; Y398-L401 HydrophobicContact CD1-CD1 3.72Å; Y398-L401 HydrophobicContact CD1-CG 4.38Å; Y398-L401 HydrophobicContact CG-CD1 4.15Å; Y398-L401 WeakPolarHBondContact O-CB 3.43Å; Y398-L401 PolarHBondContact O-N 3.27Å; Y398-F402 VanDerWaalsContact O-CD2 3.23Å; Y398-F402 WeakPolarHBondContact O-CD2 3.13Å; Y398-F402 VanDerWaalsContact O-CE2 3.3Å; Y398-F402 WeakPolarHBondContact O-CE2 3.47Å
399	A	40.8	Very low	43.5	Very low	54 Å²	54	83.9 Å²	83.9	45%	0.446	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-50.7	-31.9	-179.5	0	0	0	0	0	113.6	M396 L401 F402	M396-A399 HydrophobicContact CB-CB 4.41Å; M396-A399 HydrophobicContact CG-CB 4.05Å; M396-A399 PolarHBondContact O-N 3.46Å; M396-A399 HydrophobicContact SD-CB 3.67Å; A399-L401 VanDerWaalsContact C-N 3.34Å; A399-L401 PolarHBondContact O-N 3.12Å; A399-F402 PolarHBondContact O-N 3.16Å
400	H	43.1	Very low	43.2	Very low	122 Å²	122	87.5 Å²	87.5	57%	0.565	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-66.1	-26.9	177.1	61	-89.1	0	0	0	114.5	Q397 Y398 F402	Q397-H400 PolarHBondContact O-CE1 2.93Å; Y398-H400 PolarHBondContact O-N 3.37Å; H400-F402 VanDerWaalsContact C-N 3.31Å; H400-F402 PolarHBondContact O-N 3.38Å
401	L	36.8	Very low	42.4	Very low	67 Å²	67	89.2 Å²	89.2	35%	0.351	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-73.4	-22	178.4	-60.9	-175.6	0	0	0	112.6	Y398 A399 K403	Y398-L401 HydrophobicContact CD1-CD1 3.72Å; Y398-L401 HydrophobicContact CD1-CG 4.38Å; Y398-L401 HydrophobicContact CG-CD1 4.15Å; Y398-L401 WeakPolarHBondContact O-CB 3.43Å; Y398-L401 PolarHBondContact O-N 3.27Å; A399-L401 VanDerWaalsContact C-N 3.34Å; A399-L401 PolarHBondContact O-N 3.12Å; L401-K403 VanDerWaalsContact C-N 3.35Å; L401-K403 PolarHBondContact O-N 3.05Å
402	F	40.7	Very low	41.5	Very low	45 Å²	45	94.2 Å²	94.2	20%	0.197	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-89.9	7.5	-172.1	-57.6	-63.6	0	0	0	115	I377 M396 Y398 A399 H400 Q404 L405	I377-F402 HydrophobicContact CD1-CD1 3.71Å; I377-F402 HydrophobicContact CD1-CE1 3.49Å; I377-F402 VanDerWaalsContact CD1-CE1 3.49Å; I377-F402 HydrophobicContact CD1-CZ 4.24Å; I377-F402 HydrophobicContact CG1-CE1 4.04Å; I377-F402 HydrophobicContact CG1-CZ 4.3Å; M396-F402 HydrophobicContact CE-CD2 3.45Å; M396-F402 VanDerWaalsContact CE-CD2 3.45Å; M396-F402 HydrophobicContact CE-CE2 3.76Å; M396-F402 HydrophobicContact CE-CG 4.28Å; M396-F402 HydrophobicContact SD-CD2 4.44Å; Y398-F402 VanDerWaalsContact O-CD2 3.23Å; Y398-F402 WeakPolarHBondContact O-CD2 3.13Å; Y398-F402 VanDerWaalsContact O-CE2 3.3Å; Y398-F402 WeakPolarHBondContact O-CE2 3.47Å; A399-F402 PolarHBondContact O-N 3.16Å; H400-F402 VanDerWaalsContact C-N 3.31Å; H400-F402 PolarHBondContact O-N 3.38Å; F402-Q404 PolarHBondContact O-N 3.28Å; F402-L405 HydrophobicContact CD1-CD1 4.47Å
403	K	41.2	Very low	40.6	Very low	193 Å²	193	98.9 Å²	98.9	84%	0.839	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-61.5	-4.1	170	-76.1	-173.2	172.5	-174.2	0	114.6	L401	L401-K403 VanDerWaalsContact C-N 3.35Å; L401-K403 PolarHBondContact O-N 3.05Å
404	Q	39.7	Very low	39.4	Very low	167 Å²	167	106.3 Å²	106.3	78%	0.78	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-101.1	3	-173.4	-56.7	-173	5.4	0	0	114.7	F402	F402-Q404 PolarHBondContact O-N 3.28Å
405	L	36.1	Very low	38	Very low	67 Å²	67	112.3 Å²	112.3	35%	0.351	56%	0.557	S	S	.	*	S	Bend	trans	-92.3	128.1	-179	-72	171	0	0	0	111.6	I377 F402 G407 L409	I377-L405 HydrophobicContact CD1-CD1 4.28Å; F402-L405 HydrophobicContact CD1-CD1 4.47Å; L405-G407 PolarHBondContact O-N 2.87Å; L405-L409 HydrophobicContact CB-CD1 3.67Å; L405-L409 HydrophobicContact CD1-CD1 3.69Å; L405-L409 HydrophobicContact CG-CD1 4.32Å
406	P	32.6	Very low	36.9	Very low	118 Å²	118	111.1 Å²	111.1	77%	0.766	56%	0.563	S	S	*	*	S	Bend	trans	-76.3	122.8	179.5	28.9	-33.4	0	0	0	112.4
407	G	35.8	Very low	35.9	Very low	46 Å²	46	116.1 Å²	116.1	47%	0.474	59%	0.589	S	S	.	*	S	Bend	trans	130.7	162.4	175	0	0	0	0	0	113.1	L405 L409	L405-G407 PolarHBondContact O-N 2.87Å; G407-L409 PolarHBondContact O-N 2.98Å
408	N	39.7	Very low	35.1	Very low	140 Å²	140	112 Å²	112	75%	0.749	59%	0.588	S	S	*	*			trans	-63.9	108.1	171.2	-85.1	-10.7	0	0	0	109.6	E410	N408-E410 PolarHBondContact O-N 3.28Å
409	L	37.6	Very low	34.5	Very low	59 Å²	59	116.1 Å²	116.1	31%	0.309	61%	0.609	S	S	.	*			trans	-98.7	78.9	-176	-142.9	154.9	0	0	0	109.2	V390 L405 G407 C411	V390-L409 HydrophobicContact CB-CD2 3.96Å; V390-L409 HydrophobicContact CB-CG 4.46Å; V390-L409 HydrophobicContact CG1-CD2 4.14Å; V390-L409 HydrophobicContact CG2-CD2 4.21Å; V390-L409 HydrophobicContact CG2-CG 4.17Å; L405-L409 HydrophobicContact CB-CD1 3.67Å; L405-L409 HydrophobicContact CD1-CD1 3.69Å; L405-L409 HydrophobicContact CG-CD1 4.32Å; G407-L409 PolarHBondContact O-N 2.98Å; L409-C411 VanDerWaalsContact C-N 3.33Å; L409-C411 PolarHBondContact O-N 2.85Å
410	E	40.4	Very low	33.8	Very low	138 Å²	138	116.8 Å²	116.8	65%	0.645	62%	0.621	S	S	*	*			trans	-70.2	88.3	173.3	-70.3	-163.6	155	0	0	110.5	N408 F412	N408-E410 PolarHBondContact O-N 3.28Å; E410-F412 PolarHBondContact O-N 2.84Å
411	C	34.1	Very low	33.1	Very low	51 Å²	51	121.2 Å²	121.2	35%	0.345	64%	0.639	S	S	.	*	B	Isolated β-bridge	trans	-69.3	122.5	165.1	-74.5	0	0	0	0	109.8	C392 L409 N413	C392-C411 HydrophobicContact CB-CB 3.78Å; C392-C411 WeakPolarHBondContact CB-SG 3.32Å; C392-C411 WeakPolarHBondContact SG-CA 3.39Å; C392-C411 WeakPolarHBondContact SG-CB 3.28Å; C392-C411 CovalentContact SG-SG 2.04Å; C392-C411 PolarHBondContact SG-SG 3.16Å; L409-C411 VanDerWaalsContact C-N 3.33Å; L409-C411 PolarHBondContact O-N 2.85Å; C411-N413 VanDerWaalsContact C-N 3.29Å; C411-N413 PolarHBondContact O-N 3.33Å
412	F	34.7	Very low	32.9	Very low	131 Å²	131	125.1 Å²	125.1	58%	0.575	66%	0.659	S	S	*	*	S	Bend	trans	-68	83.4	170.1	-83.6	-92.3	0	0	0	111.4	E410	E410-F412 PolarHBondContact O-N 2.84Å
413	N	34.1	Very low	32.6	Very low	115 Å²	115	126.9 Å²	126.9	62%	0.615	68%	0.677	S	S	*	*	S	Bend	trans	155.1	117.8	161	-78.5	-18.1	0	0	0	105.6	C411	C411-N413 VanDerWaalsContact C-N 3.29Å; C411-N413 PolarHBondContact O-N 3.33Å
414	E	27	Very low	32.2	Very low	175 Å²	175	123.8 Å²	123.8	82%	0.818	67%	0.674	S	S	*	*	S	Bend	cis	-139.6	140.4	15.8	-56.4	176.4	139.1	0	0	110.2
415	Y	24.7	Very low	31.8	Very low	220 Å²	220	121.1 Å²	121.1	86%	0.863	67%	0.67	S	S	*	*			trans	56	89	173.5	-64.3	-83.6	0	0	0	120.1
416	P	26.7	Very low	31.6	Very low	114 Å²	114	126.6 Å²	126.6	74%	0.74	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-84.5	123.7	156.5	32.1	-28.3	0	0	0	111.2	G418	P416-G418 PolarHBondContact O-N 2.69Å
417	I	25.9	Very low	31.4	Very low	160 Å²	160	125.5 Å²	125.5	82%	0.821	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-71	119.3	166	-65.3	175.8	0	0	0	107.4
418	G	23.4	Very low	31.1	Very low	70 Å²	70	131.6 Å²	131.6	72%	0.722	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-77	144.9	-163.1	0	0	0	0	0	115.3	P416	P416-G418 PolarHBondContact O-N 2.69Å
419	F	28.9	Very low	30.6	Very low	187 Å²	187	132.6 Å²	132.6	82%	0.82	69%	0.688	S	S	*	*			trans	-106.7	123.1	163.7	-78	-87.4	0	0	0	110.6
420	G	26.6	Very low	30.3	Very low	68 Å²	68	136.2 Å²	136.2	70%	0.701	71%	0.708	S	S	*	*			trans	-93.4	124.7	179.2	0	0	0	0	0	112.4
421	K	28.5	Very low	29.7	Very low	214 Å²	214	133.9 Å²	133.9	93%	0.93	70%	0.699	S	S	*	*			trans	40.3	85.1	153.2	-62.4	-178.8	178.6	179	0	116.4
422	L	33.7	Very low	29.4	Very low	150 Å²	150	138.1 Å²	138.1	79%	0.785	72%	0.718	S	S	*	*			trans	-102.9	155	162.7	-77.4	164.7	0	0	0	111.8
423	S	33.2	Very low	29	Very low	82 Å²	82	139.5 Å²	139.5	57%	0.573	73%	0.731	S	S	*	*			trans	-91.6	122.8	-160.1	-168.8	0	0	0	0	113.4	T425	S423-T425 PolarHBondContact O-N 3.47Å; S423-T425 PolarHBondContact OG-OG1 3.36Å
424	T	33.7	Very low	28.6	Very low	127 Å²	127	140 Å²	140	78%	0.779	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	19.9	-177.4	54.4	0	0	0	0	115.4
425	T	31	Very low	28.5	Very low	112 Å²	112	141 Å²	141	69%	0.687	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.7	8.8	-167.5	56.8	0	0	0	0	115	S423	S423-T425 PolarHBondContact O-N 3.47Å; S423-T425 PolarHBondContact OG-OG1 3.36Å
426	R	31.4	Very low	28.6	Very low	182 Å²	182	134.3 Å²	134.3	69%	0.687	74%	0.735	S	S	*	*	S	Bend	trans	-118.6	141.7	179.5	-68.8	-172.9	177.9	-167.2	-0.5	112.2	L431	R426-L431 HydrophobicContact CB-CD1 4.15Å
427	P	29.2	Very low	28.7	Very low	94 Å²	94	135.3 Å²	135.3	61%	0.61	73%	0.734	S	S	*	*			trans	-65.5	144.8	177	27.6	-33.9	0	0	0	111.5	H429	P427-H429 VanDerWaalsContact C-N 3.28Å; P427-H429 PolarHBondContact O-N 3.16Å; P427-H429 VanDerWaalsContact O-N 3.14Å
428	Y	27.9	Very low	29.2	Very low	174 Å²	174	131.7 Å²	131.7	68%	0.682	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-66.4	-18.6	-161.2	-122.4	-101.9	0	0	0	115.9
429	H	30.5	Very low	29.8	Very low	161 Å²	161	136.4 Å²	136.4	75%	0.745	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-85.1	-19.5	-169.7	-62.9	-73.1	0	0	0	114.7	P427	P427-H429 VanDerWaalsContact C-N 3.28Å; P427-H429 PolarHBondContact O-N 3.16Å; P427-H429 VanDerWaalsContact O-N 3.14Å
430	D	30.9	Very low	30.3	Very low	135 Å²	135	130.8 Å²	130.8	72%	0.722	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-97	0.1	-178.2	-68.2	-37.8	0	0	0	114
431	L	27.8	Very low	30.9	Very low	89 Å²	89	129.3 Å²	129.3	47%	0.466	67%	0.674	S	S	.	*			trans	-94.5	-3.8	-176.2	-76.4	167.6	0	0	0	114.4	R426 N433	R426-L431 HydrophobicContact CB-CD1 4.15Å; L431-N433 PolarHBondContact O-N 3.44Å
432	L	27.3	Very low	31.5	Very low	140 Å²	140	123.7 Å²	123.7	73%	0.733	66%	0.657	S	S	*	*			trans	-80	9.5	-179.8	-89.7	157.1	0	0	0	114.8	L434	L432-L434 PolarHBondContact O-N 3.46Å
433	N	25.9	Very low	31.6	Very low	160 Å²	160	121.7 Å²	121.7	86%	0.856	65%	0.651	S	S	*	*			trans	-94	79.2	166.5	-84.4	-44.5	0	0	0	110.3	L431	L431-N433 PolarHBondContact O-N 3.44Å
434	L	25.7	Very low	31.9	Very low	127 Å²	127	120.8 Å²	120.8	67%	0.665	64%	0.64	S	S	*	*			trans	-125.1	130.1	165	-90.1	166.4	0	0	0	110.1	L432 G436	L432-L434 PolarHBondContact O-N 3.46Å; L434-G436 PolarHBondContact O-N 3.1Å
435	E	25.2	Very low	32.3	Very low	196 Å²	196	124.5 Å²	124.5	92%	0.916	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	126.9	-169.2	-60.4	168.4	132.9	0	0	111.7
436	G	27.2	Very low	32.6	Very low	78 Å²	78	120.1 Å²	120.1	80%	0.804	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	88.5	17.1	157.2	0	0	0	0	0	119	L434	L434-G436 PolarHBondContact O-N 3.1Å
437	L	29.2	Very low	32.8	Very low	136 Å²	136	113.1 Å²	113.1	71%	0.712	60%	0.598	S	S	*	*			trans	-101.5	108.6	178.5	-74.6	166	0	0	0	113.2	Y439	L437-Y439 PolarHBondContact O-N 2.03Å
438	T	35.8	Very low	33.2	Very low	84 Å²	84	109.8 Å²	109.8	52%	0.515	58%	0.576	S	S	.	*			trans	-68.2	115.8	169.5	-19	0	0	0	0	109.7	V440 C452 Y453	T438-V440 PolarHBondContact O-N 3.39Å; T438-C452 HydrophobicContact CG2-CB 3.81Å; T438-Y453 WeakPolarHBondContact CG2-O 3.38Å
439	Y	36.6	Very low	34.2	Very low	169 Å²	169	102.9 Å²	102.9	66%	0.663	56%	0.558	S	S	*	*			trans	-73.8	117	177.6	-125.1	-92	0	0	0	110	L437 C452	L437-Y439 PolarHBondContact O-N 2.03Å; Y439-C452 WeakPolarHBondContact O-CA 3.42Å
440	V	39.5	Very low	35	Very low	69 Å²	69	97.1 Å²	97.1	42%	0.418	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	107.9	172.5	-179.6	0	0	0	0	107.9	T438 T442 P450	T438-V440 PolarHBondContact O-N 3.39Å; V440-T442 HydrophobicContact CG1-CG2 4.09Å; V440-P450 HydrophobicContact CG1-CB 3.53Å; V440-P450 HydrophobicContact CG1-CG 4.45Å
441	N	38	Very low	36	Very low	37 Å²	37	91.8 Å²	91.8	20%	0.198	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	132.2	171.6	-160.7	5.1	0	0	0	110.9	T443 D444 P450 W451	N441-T443 PolarHBondContact OD1-N 3.17Å; N441-T443 PolarHBondContact OD1-OG1 3.49Å; N441-D444 VanDerWaalsContact ND2-CG 3.32Å; N441-D444 PolarHBondContact ND2-OD1 2.89Å; N441-D444 VanDerWaalsContact ND2-OD1 3.12Å; N441-D444 PolarHBondContact ND2-OD2 2.94Å; N441-D444 VanDerWaalsContact ND2-OD2 3.16Å; N441-P450 WeakPolarHBondContact O-CA 3.08Å; N441-P450 WeakPolarHBondContact O-CB 3.2Å; N441-W451 HydrophobicContact CB-CD2 4.07Å; N441-W451 HydrophobicContact CB-CE3 4.25Å; N441-W451 HydrophobicContact CB-CH2 3.66Å; N441-W451 HydrophobicContact CB-CZ2 3.51Å; N441-W451 HydrophobicContact CB-CZ3 4.03Å; N441-W451 PolarHBondContact N-O 2.84Å; N441-W451 WeakPolarHBondContact ND2-CZ2 3.21Å; N441-W451 PolarHBondContact O-N 3.07Å
442	T	41.1	Very low	37	Very low	95 Å²	95	88.2 Å²	88.2	58%	0.583	49%	0.487	S	S	*	.			trans	-127	-0.9	176.9	62	0	0	0	0	112.3	V440 P450	V440-T442 HydrophobicContact CG1-CG2 4.09Å; T442-P450 HydrophobicContact CG2-CB 4.03Å; T442-P450 HydrophobicContact CG2-CG 3.95Å
443	T	36.3	Very low	38.4	Very low	108 Å²	108	86.4 Å²	86.4	66%	0.663	47%	0.471	S	S	*	.	S	Bend	trans	-86.4	-26.8	-171.5	62.3	0	0	0	0	112.7	N441	N441-T443 PolarHBondContact OD1-N 3.17Å; N441-T443 PolarHBondContact OD1-OG1 3.49Å
444	D	40.3	Very low	40	Very low	63 Å²	63	82.3 Å²	82.3	34%	0.337	44%	0.444	S	S	.	.	S	Bend	trans	-81.1	140.2	161.8	36	17.4	0	0	0	110.7	N441 S446 W451	N441-D444 VanDerWaalsContact ND2-CG 3.32Å; N441-D444 PolarHBondContact ND2-OD1 2.89Å; N441-D444 VanDerWaalsContact ND2-OD1 3.12Å; N441-D444 PolarHBondContact ND2-OD2 2.94Å; N441-D444 VanDerWaalsContact ND2-OD2 3.16Å; D444-S446 PolarHBondContact O-N 3.14Å; D444-W451 PolarHBondContact OD1-NE1 3.24Å; D444-W451 VanDerWaalsContact OD1-NE1 3.16Å; D444-W451 WeakPolarHBondContact OD2-CZ2 3.33Å; D444-W451 PolarHBondContact OD2-NE1 3.04Å
445	K	40.6	Very low	41.7	Very low	205 Å²	205	83.9 Å²	83.9	89%	0.891	45%	0.446	S	S	*	.			trans	-78.2	52.5	178.5	-62.1	-176.9	177.6	-173.6	0	111.1
446	S	37.4	Very low	43.5	Very low	21 Å²	21	78.2 Å²	78.2	15%	0.147	42%	0.422	C	S	.	.			trans	-57	120.1	176.1	167.2	0	0	0	0	109.7	D444 C448 G449	D444-S446 PolarHBondContact O-N 3.14Å; S446-C448 PolarHBondContact O-N 2.79Å; S446-G449 WeakPolarHBondContact CB-O 3.35Å; S446-G449 PolarHBondContact O-N 3.11Å; S446-G449 PolarHBondContact OG-O 3.18Å
447	P	36.8	Very low	45.6	Very low	35 Å²	35	77.4 Å²	77.4	23%	0.227	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-18.8	-177.9	32.2	-39.4	0	0	0	112.6	G449 I485 L486	P447-G449 PolarHBondContact O-N 3Å; P447-I485 HydrophobicContact CB-CB 3.61Å; P447-I485 HydrophobicContact CB-CD1 3.92Å; P447-I485 HydrophobicContact CB-CG1 4.34Å; P447-I485 HydrophobicContact CB-CG2 3.71Å; P447-I485 HydrophobicContact CG-CB 3.65Å; P447-I485 HydrophobicContact CG-CG2 3.75Å; P447-L486 HydrophobicContact CG-CB 4.39Å; P447-L486 HydrophobicContact CG-CD1 3.58Å; P447-L486 HydrophobicContact CG-CG 3.71Å
448	C	38.1	Very low	47.4	Very low	23 Å²	23	77.2 Å²	77.2	16%	0.155	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-6.3	172.1	-50.7	0	0	0	0	113.1	S446 P464 P482 L486	S446-C448 PolarHBondContact O-N 2.79Å; C448-P464 HydrophobicContact CB-CB 4.34Å; C448-P464 HydrophobicContact CB-CG 4.15Å; C448-P482 WeakPolarHBondContact SG-CB 3.49Å; C448-P482 WeakPolarHBondContact SG-CG 3.44Å; C448-L486 WeakPolarHBondContact SG-CD1 3.49Å
449	G	47.4	Very low	48.2	Very low	30 Å²	30	77.5 Å²	77.5	31%	0.309	42%	0.417	S	S	.	.	S	Bend	trans	77.1	-164.6	-157.2	0	0	0	0	0	111.7	S446 P447	S446-G449 WeakPolarHBondContact CB-O 3.35Å; S446-G449 PolarHBondContact O-N 3.11Å; S446-G449 PolarHBondContact OG-O 3.18Å; P447-G449 PolarHBondContact O-N 3Å
450	P	47.5	Very low	48.8	Very low	39 Å²	39	75 Å²	75	25%	0.253	41%	0.414	S	S	.	.			trans	-62.2	143	-173	-22.1	33.7	0	0	0	112.8	V440 N441 T442 C465 F466	V440-P450 HydrophobicContact CG1-CB 3.53Å; V440-P450 HydrophobicContact CG1-CG 4.45Å; N441-P450 WeakPolarHBondContact O-CA 3.08Å; N441-P450 WeakPolarHBondContact O-CB 3.2Å; T442-P450 HydrophobicContact CG2-CB 4.03Å; T442-P450 HydrophobicContact CG2-CG 3.95Å; P450-C465 PolarHBondContact O-N 2.84Å; P450-F466 HydrophobicContact CB-CD2 4.17Å; P450-F466 HydrophobicContact CB-CE2 3.88Å; P450-F466 HydrophobicContact CG-CD2 4.11Å; P450-F466 HydrophobicContact CG-CE2 3.81Å
451	W	51.7	Low	49.5	Very low	23 Å²	23	74 Å²	74	9%	0.087	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	155.7	177	60.9	-103.5	0	0	0	111.6	N441 D444 Y453 H462 E463 C465	N441-W451 HydrophobicContact CB-CD2 4.07Å; N441-W451 HydrophobicContact CB-CE3 4.25Å; N441-W451 HydrophobicContact CB-CH2 3.66Å; N441-W451 HydrophobicContact CB-CZ2 3.51Å; N441-W451 HydrophobicContact CB-CZ3 4.03Å; N441-W451 PolarHBondContact N-O 2.84Å; N441-W451 WeakPolarHBondContact ND2-CZ2 3.21Å; N441-W451 PolarHBondContact O-N 3.07Å; D444-W451 PolarHBondContact OD1-NE1 3.24Å; D444-W451 VanDerWaalsContact OD1-NE1 3.16Å; D444-W451 WeakPolarHBondContact OD2-CZ2 3.33Å; D444-W451 PolarHBondContact OD2-NE1 3.04Å; W451-Y453 HydrophobicContact CH2-CD2 4.06Å; W451-Y453 AromaticContact CH2-CE1 3.98Å; W451-Y453 HydrophobicContact CH2-CE1 3.98Å; W451-Y453 AromaticContact CH2-CE2 3.37Å; W451-Y453 HydrophobicContact CH2-CE2 3.37Å; W451-Y453 AromaticContact CH2-CZ 3.3Å; W451-Y453 WeakPolarHBondContact CH2-OH 3.16Å; W451-Y453 AromaticContact CZ3-CD1 3.86Å; W451-Y453 HydrophobicContact CZ3-CD1 3.86Å; W451-Y453 AromaticContact CZ3-CD2 3.53Å; W451-Y453 HydrophobicContact CZ3-CD2 3.53Å; W451-Y453 AromaticContact CZ3-CE1 3.66Å; W451-Y453 HydrophobicContact CZ3-CE1 3.66Å; W451-Y453 AromaticContact CZ3-CE2 3.33Å; W451-Y453 HydrophobicContact CZ3-CE2 3.33Å; W451-Y453 AromaticContact CZ3-CG 3.78Å; W451-Y453 HydrophobicContact CZ3-CG 3.78Å; W451-Y453 AromaticContact CZ3-CZ 3.38Å; W451-H462 HydrophobicContact CD2-CB 4.38Å; W451-H462 AromaticContact CD2-ND1 3.97Å; W451-H462 HydrophobicContact CE3-CB 3.71Å; W451-H462 AromaticContact CE3-ND1 3.82Å; W451-H462 HydrophobicContact CZ3-CB 4.22Å; W451-E463 CarbonylContact C-O 3.47Å; W451-E463 VanDerWaalsContact CA-O 3.23Å; W451-E463 WeakPolarHBondContact CA-O 3.34Å; W451-E463 VanDerWaalsContact CB-O 3.31Å; W451-E463 WeakPolarHBondContact CB-O 3.31Å; W451-C465 PolarHBondContact O-SG 3.41Å
452	C	50.2	Low	50.1	Low	14 Å²	14	74.2 Å²	74.2	10%	0.095	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.2	-168.8	-88	0	0	0	0	109.6	T438 Y439 H462 E463 C465	T438-C452 HydrophobicContact CG2-CB 3.81Å; Y439-C452 WeakPolarHBondContact O-CA 3.42Å; C452-H462 WeakPolarHBondContact O-CA 3.46Å; C452-H462 WeakPolarHBondContact O-CB 3.04Å; C452-E463 PolarHBondContact N-O 2.98Å; C452-E463 PolarHBondContact O-N 2.93Å; C452-E463 VanDerWaalsContact O-N 3.1Å; C452-C465 WeakPolarHBondContact CA-SG 3.49Å; C452-C465 HydrophobicContact CB-CB 4.1Å; C452-C465 WeakPolarHBondContact CB-SG 3.41Å; C452-C465 PolarHBondContact N-SG 3.3Å; C452-C465 VanDerWaalsContact SG-CA 3.58Å; C452-C465 WeakPolarHBondContact SG-CB 3.17Å; C452-C465 CovalentContact SG-SG 2.04Å; C452-C465 PolarHBondContact SG-SG 2.86Å
453	Y	56.3	Low	50.5	Low	102 Å²	102	74.2 Å²	74.2	40%	0.4	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	129.4	166.8	-76.7	-55.1	0	0	0	110.7	T438 W451 L460 K461 H462	T438-Y453 WeakPolarHBondContact CG2-O 3.38Å; W451-Y453 HydrophobicContact CH2-CD2 4.06Å; W451-Y453 AromaticContact CH2-CE1 3.98Å; W451-Y453 HydrophobicContact CH2-CE1 3.98Å; W451-Y453 AromaticContact CH2-CE2 3.37Å; W451-Y453 HydrophobicContact CH2-CE2 3.37Å; W451-Y453 AromaticContact CH2-CZ 3.3Å; W451-Y453 WeakPolarHBondContact CH2-OH 3.16Å; W451-Y453 AromaticContact CZ3-CD1 3.86Å; W451-Y453 HydrophobicContact CZ3-CD1 3.86Å; W451-Y453 AromaticContact CZ3-CD2 3.53Å; W451-Y453 HydrophobicContact CZ3-CD2 3.53Å; W451-Y453 AromaticContact CZ3-CE1 3.66Å; W451-Y453 HydrophobicContact CZ3-CE1 3.66Å; W451-Y453 AromaticContact CZ3-CE2 3.33Å; W451-Y453 HydrophobicContact CZ3-CE2 3.33Å; W451-Y453 AromaticContact CZ3-CG 3.78Å; W451-Y453 HydrophobicContact CZ3-CG 3.78Å; W451-Y453 AromaticContact CZ3-CZ 3.38Å; Y453-L460 HydrophobicContact CD1-CD2 3.66Å; Y453-L460 HydrophobicContact CD1-CG 3.93Å; Y453-L460 HydrophobicContact CD2-CD2 4.26Å; Y453-L460 HydrophobicContact CE1-CD2 4.05Å; Y453-L460 HydrophobicContact CG-CD2 3.81Å; Y453-L460 HydrophobicContact CG-CG 4.22Å; Y453-K461 CarbonylContact C-O 3.52Å; Y453-K461 VanDerWaalsContact CA-O 3.3Å; Y453-K461 WeakPolarHBondContact CA-O 3.08Å; Y453-H462 HydrophobicContact CD1-CB 3.84Å; Y453-H462 HydrophobicContact CE1-CB 4.1Å; Y453-H462 AromaticContact CE1-ND1 3.94Å
454	Y	58.7	Low	51.2	Low	74 Å²	74	71.1 Å²	71.1	29%	0.29	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.8	170.7	73.4	-86	0	0	0	111	N456 K461 E463	Y454-N456 HydrophobicContact CD2-CB 4.44Å; Y454-N456 HydrophobicContact CE2-CB 4.04Å; Y454-K461 HydrophobicContact CD1-CB 4.03Å; Y454-K461 HydrophobicContact CD2-CB 4.37Å; Y454-K461 HydrophobicContact CE1-CB 3.52Å; Y454-K461 HydrophobicContact CE2-CB 3.89Å; Y454-K461 HydrophobicContact CE2-CD 4.06Å; Y454-K461 HydrophobicContact CG-CB 4.44Å; Y454-K461 VanDerWaalsContact CZ-CB 3.46Å; Y454-K461 PolarHBondContact N-O 2.91Å; Y454-K461 PolarHBondContact O-N 3Å; Y454-K461 VanDerWaalsContact O-O 3.09Å; Y454-K461 WeakPolarHBondContact OH-CD 3.1Å; Y454-E463 HydrophobicContact CD1-CB 4.31Å; Y454-E463 HydrophobicContact CD1-CG 3.76Å; Y454-E463 HydrophobicContact CE1-CB 3.92Å; Y454-E463 HydrophobicContact CE1-CG 3.83Å
455	K	61.7	Low	51.8	Low	161 Å²	161	69.8 Å²	69.8	70%	0.7	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.8	-178.6	-172.9	170.9	-177.5	171.3	0	110.4	G457	K455-G457 WeakPolarHBondContact CE-O 3.4Å; K455-G457 WeakPolarHBondContact CG-O 3.34Å
456	N	62	Low	52	Low	76 Å²	76	66.2 Å²	66.2	41%	0.406	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	85.3	175.6	-177.3	54.1	0	0	0	109.9	Y454 T458 D459 K461	Y454-N456 HydrophobicContact CD2-CB 4.44Å; Y454-N456 HydrophobicContact CE2-CB 4.04Å; N456-T458 PolarHBondContact O-N 3.09Å; N456-D459 PolarHBondContact N-O 3.06Å; N456-D459 PolarHBondContact O-N 3.14Å; N456-D459 VanDerWaalsContact O-N 3.17Å; N456-K461 HydrophobicContact CB-CD 3.93Å; N456-K461 HydrophobicContact CB-CG 4.32Å; N456-K461 PolarHBondContact ND2-NZ 3.17Å; N456-K461 VanDerWaalsContact ND2-NZ 3.17Å
457	G	73.2	Confident	52.4	Low	62 Å²	62	71.2 Å²	71.2	64%	0.639	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	-117.1	-174.4	0	0	0	0	0	111.7	K455	K455-G457 WeakPolarHBondContact CE-O 3.4Å; K455-G457 WeakPolarHBondContact CG-O 3.34Å
458	T	66.1	Low	52.9	Low	131 Å²	131	72.2 Å²	72.2	80%	0.804	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-21.9	170.7	42.4	0	0	0	0	113.1	N456	N456-T458 PolarHBondContact O-N 3.09Å
459	D	52.4	Low	53.2	Low	90 Å²	90	77.3 Å²	77.3	48%	0.481	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	138.4	-163.5	-49.4	-16.9	0	0	0	110.1	N456	N456-D459 PolarHBondContact N-O 3.06Å; N456-D459 PolarHBondContact O-N 3.14Å; N456-D459 VanDerWaalsContact O-N 3.17Å
460	L	49.6	Very low	53.2	Low	116 Å²	116	76.9 Å²	76.9	61%	0.607	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	124.7	169.1	-159.2	76.6	0	0	0	108.3	Y453	Y453-L460 HydrophobicContact CD1-CD2 3.66Å; Y453-L460 HydrophobicContact CD1-CG 3.93Å; Y453-L460 HydrophobicContact CD2-CD2 4.26Å; Y453-L460 HydrophobicContact CE1-CD2 4.05Å; Y453-L460 HydrophobicContact CG-CD2 3.81Å; Y453-L460 HydrophobicContact CG-CG 4.22Å
461	K	53.5	Low	52.9	Low	48 Å²	48	82.6 Å²	82.6	21%	0.209	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	166.4	174.4	-71.5	-174.1	175.7	174.2	0	109.4	Y453 Y454 N456	Y453-K461 CarbonylContact C-O 3.52Å; Y453-K461 VanDerWaalsContact CA-O 3.3Å; Y453-K461 WeakPolarHBondContact CA-O 3.08Å; Y454-K461 HydrophobicContact CD1-CB 4.03Å; Y454-K461 HydrophobicContact CD2-CB 4.37Å; Y454-K461 HydrophobicContact CE1-CB 3.52Å; Y454-K461 HydrophobicContact CE2-CB 3.89Å; Y454-K461 HydrophobicContact CE2-CD 4.06Å; Y454-K461 HydrophobicContact CG-CB 4.44Å; Y454-K461 VanDerWaalsContact CZ-CB 3.46Å; Y454-K461 PolarHBondContact N-O 2.91Å; Y454-K461 PolarHBondContact O-N 3Å; Y454-K461 VanDerWaalsContact O-O 3.09Å; Y454-K461 WeakPolarHBondContact OH-CD 3.1Å; N456-K461 HydrophobicContact CB-CD 3.93Å; N456-K461 HydrophobicContact CB-CG 4.32Å; N456-K461 PolarHBondContact ND2-NZ 3.17Å; N456-K461 VanDerWaalsContact ND2-NZ 3.17Å
462	H	50.7	Low	52.6	Low	43 Å²	43	84.5 Å²	84.5	20%	0.199	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	156.4	167.8	51.5	-171.6	0	0	0	112.5	W451 C452 Y453 I493	W451-H462 HydrophobicContact CD2-CB 4.38Å; W451-H462 AromaticContact CD2-ND1 3.97Å; W451-H462 HydrophobicContact CE3-CB 3.71Å; W451-H462 AromaticContact CE3-ND1 3.82Å; W451-H462 HydrophobicContact CZ3-CB 4.22Å; C452-H462 WeakPolarHBondContact O-CA 3.46Å; C452-H462 WeakPolarHBondContact O-CB 3.04Å; Y453-H462 HydrophobicContact CD1-CB 3.84Å; Y453-H462 HydrophobicContact CE1-CB 4.1Å; Y453-H462 AromaticContact CE1-ND1 3.94Å; H462-I493 PolarHBondContact CD2-O 3.33Å; H462-I493 WeakPolarHBondContact NE2-CA 3.48Å; H462-I493 VanDerWaalsContact NE2-CG2 3.31Å; H462-I493 WeakPolarHBondContact NE2-CG2 3.48Å; H462-I493 PolarHBondContact NE2-O 2.76Å
463	E	50.7	Low	52.2	Low	94 Å²	94	93.9 Å²	93.9	44%	0.439	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	163	177	63.2	-172.4	-173.2	0	0	109.7	W451 C452 Y454 C465	W451-E463 CarbonylContact C-O 3.47Å; W451-E463 VanDerWaalsContact CA-O 3.23Å; W451-E463 WeakPolarHBondContact CA-O 3.34Å; W451-E463 VanDerWaalsContact CB-O 3.31Å; W451-E463 WeakPolarHBondContact CB-O 3.31Å; C452-E463 PolarHBondContact N-O 2.98Å; C452-E463 PolarHBondContact O-N 2.93Å; C452-E463 VanDerWaalsContact O-N 3.1Å; Y454-E463 HydrophobicContact CD1-CB 4.31Å; Y454-E463 HydrophobicContact CD1-CG 3.76Å; Y454-E463 HydrophobicContact CE1-CB 3.92Å; Y454-E463 HydrophobicContact CE1-CG 3.83Å; E463-C465 PolarHBondContact O-N 3.41Å
464	P	50.6	Low	51.8	Low	44 Å²	44	97.7 Å²	97.7	29%	0.286	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	128.5	173.3	-20.9	34.1	0	0	0	110.8	C448 F466 F494	C448-P464 HydrophobicContact CB-CB 4.34Å; C448-P464 HydrophobicContact CB-CG 4.15Å; P464-F466 PolarHBondContact O-N 3.12Å; P464-F466 VanDerWaalsContact O-N 3.15Å; P464-F494 HydrophobicContact CG-CE1 4.34Å
465	C	52.1	Low	51.4	Low	35 Å²	35	97.2 Å²	97.2	24%	0.236	52%	0.516	C	S	.	.	S	Bend	trans	-65.6	-16.9	178.5	-68.6	0	0	0	0	113.5	P450 W451 C452 E463	P450-C465 PolarHBondContact O-N 2.84Å; W451-C465 PolarHBondContact O-SG 3.41Å; C452-C465 WeakPolarHBondContact CA-SG 3.49Å; C452-C465 HydrophobicContact CB-CB 4.1Å; C452-C465 WeakPolarHBondContact CB-SG 3.41Å; C452-C465 PolarHBondContact N-SG 3.3Å; C452-C465 VanDerWaalsContact SG-CA 3.58Å; C452-C465 WeakPolarHBondContact SG-CB 3.17Å; C452-C465 CovalentContact SG-SG 2.04Å; C452-C465 PolarHBondContact SG-SG 2.86Å; E463-C465 PolarHBondContact O-N 3.41Å
466	F	46	Very low	50.7	Low	129 Å²	129	94.3 Å²	94.3	57%	0.566	51%	0.514	S	S	*	.	S	Bend	trans	-131.6	136.2	-172.1	-59.5	-81.5	0	0	0	109.2	P450 P464 T468	P450-F466 HydrophobicContact CB-CD2 4.17Å; P450-F466 HydrophobicContact CB-CE2 3.88Å; P450-F466 HydrophobicContact CG-CD2 4.11Å; P450-F466 HydrophobicContact CG-CE2 3.81Å; P464-F466 PolarHBondContact O-N 3.12Å; P464-F466 VanDerWaalsContact O-N 3.15Å; F466-T468 PolarHBondContact O-N 2.99Å
467	N	45.5	Very low	50.1	Low	126 Å²	126	96.9 Å²	96.9	67%	0.674	52%	0.518	S	S	*	.			trans	-55.6	130.9	164.2	-69.5	6	0	0	0	108.4
468	T	46.3	Very low	49	Very low	56 Å²	56	95.2 Å²	95.2	34%	0.344	50%	0.496	S	S	.	.			trans	-60.1	145.6	166.7	65.8	0	0	0	0	108.5	F466 V470 C536	F466-T468 PolarHBondContact O-N 2.99Å; T468-V470 PolarHBondContact O-N 3.34Å; T468-C536 HydrophobicContact CG2-CB 4.24Å
469	C	44.7	Very low	48.5	Very low	131 Å²	131	89 Å²	89	89%	0.885	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	33.8	-175.8	-59.8	0	0	0	0	113.9
470	V	47.5	Very low	48.8	Very low	21 Å²	21	86.1 Å²	86.1	13%	0.127	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	20.4	-167.1	-159.1	0	0	0	0	111.4	T468 V472 R539	T468-V470 PolarHBondContact O-N 3.34Å; V470-V472 PolarHBondContact O-N 3.33Å; V470-R539 HydrophobicContact CG1-CB 4.31Å; V470-R539 HydrophobicContact CG1-CG 4.14Å; V470-R539 PolarHBondContact O-NH1 2.79Å
471	E	42.2	Very low	49.4	Very low	159 Å²	159	81.8 Å²	81.8	74%	0.743	42%	0.42	S	S	*	.			trans	-74.8	72.6	154.7	-72	-168.4	159.3	0	0	110	K473	E471-K473 PolarHBondContact O-N 3.27Å; E471-K473 VanDerWaalsContact O-N 3.07Å
472	V	44.1	Very low	49.4	Very low	62 Å²	62	81.2 Å²	81.2	38%	0.376	42%	0.421	S	S	.	.			trans	-69.8	103.8	167.5	-176.4	0	0	0	0	107.3	V470 E474 D475	V470-V472 PolarHBondContact O-N 3.33Å; V472-E474 PolarHBondContact O-N 3Å; V472-D475 HydrophobicContact CB-CB 4.38Å; V472-D475 HydrophobicContact CG1-CB 4.29Å; V472-D475 PolarHBondContact O-N 3.39Å; V472-D475 VanDerWaalsContact O-N 3.08Å
473	K	43.4	Very low	49.5	Very low	212 Å²	212	79.1 Å²	79.1	92%	0.922	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-13.5	-176.6	-73.1	-175.7	174.5	179.7	0	115.5	E471	E471-K473 PolarHBondContact O-N 3.27Å; E471-K473 VanDerWaalsContact O-N 3.07Å
474	E	47.3	Very low	49.5	Very low	181 Å²	181	75.6 Å²	75.6	85%	0.846	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-3.4	-174.2	-60	-178.5	172.2	0	0	113.5	V472 P476	V472-E474 PolarHBondContact O-N 3Å; E474-P476 WeakPolarHBondContact O-CD 3.25Å
475	D	50.9	Low	49.2	Very low	64 Å²	64	79.3 Å²	79.3	34%	0.342	41%	0.413	S	S	.	.			trans	-124.8	81	-176.1	-171.9	-0.4	0	0	0	111.7	V472 Y477 V478 R539	V472-D475 HydrophobicContact CB-CB 4.38Å; V472-D475 HydrophobicContact CG1-CB 4.29Å; V472-D475 PolarHBondContact O-N 3.39Å; V472-D475 VanDerWaalsContact O-N 3.08Å; D475-Y477 PolarHBondContact O-N 2.97Å; D475-Y477 VanDerWaalsContact O-N 3.09Å; D475-V478 WeakPolarHBondContact OD1-CG2 3.45Å; D475-V478 WeakPolarHBondContact OD2-CG2 3.46Å; D475-R539 IonicContact OD2-CZ 2.69Å; D475-R539 IonicContact OD2-NH2 3.4Å; D475-R539 PolarHBondContact OD2-NH2 3.38Å
476	P	45.6	Very low	48.7	Very low	101 Å²	101	79.1 Å²	79.1	66%	0.656	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	1.3	-166.8	28.8	-36.1	0	0	0	115.4	E474	E474-P476 WeakPolarHBondContact O-CD 3.25Å
477	Y	49.6	Very low	48.7	Very low	129 Å²	129	78.9 Å²	78.9	51%	0.506	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-16.5	-171.6	-61	-52.3	0	0	0	115.9	D475 A479 K501	D475-Y477 PolarHBondContact O-N 2.97Å; D475-Y477 VanDerWaalsContact O-N 3.09Å; Y477-A479 PolarHBondContact O-N 3.42Å; Y477-A479 VanDerWaalsContact O-N 3.08Å; Y477-K501 HydrophobicContact CD1-CD 4.14Å; Y477-K501 VanDerWaalsContact CD1-NZ 3.35Å; Y477-K501 VanDerWaalsContact CE1-NZ 3.28Å
478	V	50.5	Low	48.8	Very low	28 Å²	28	74.2 Å²	74.2	17%	0.17	38%	0.383	C	S	.	.			trans	-78	106.5	-174.9	176.7	0	0	0	0	111.4	D475 Y534 R539	D475-V478 WeakPolarHBondContact OD1-CG2 3.45Å; D475-V478 WeakPolarHBondContact OD2-CG2 3.46Å; V478-Y534 HydrophobicContact CG1-CD2 3.67Å; V478-Y534 HydrophobicContact CG1-CE2 4.06Å; V478-R539 VanDerWaalsContact CG1-CZ 3.44Å
479	A	54.9	Low	48.6	Very low	1 Å²	1	73.8 Å²	73.8	1%	0.008	38%	0.382	C	S	.	.			trans	-73.8	127.7	168.5	0	0	0	0	0	110.2	Y477 R499 Y533 Y534	Y477-A479 PolarHBondContact O-N 3.42Å; Y477-A479 VanDerWaalsContact O-N 3.08Å; A479-R499 VanDerWaalsContact CA-NH1 3.33Å; A479-R499 VanDerWaalsContact CB-CD 3.48Å; A479-R499 VanDerWaalsContact CB-NH1 3.26Å; A479-Y533 HydrophobicContact CB-CD1 3.41Å; A479-Y533 VanDerWaalsContact CB-CD1 3.41Å; A479-Y533 HydrophobicContact CB-CE1 3.67Å; A479-Y534 PolarHBondContact O-N 3.05Å
480	C	59.9	Low	48.7	Very low	29 Å²	29	70.2 Å²	70.2	20%	0.196	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	153.5	161.7	81.5	0	0	0	0	110.3	Y534 C536	C480-Y534 CarbonylContact C-O 3.49Å; C480-Y534 WeakPolarHBondContact CA-O 3.49Å; C480-Y534 WeakPolarHBondContact CB-O 3.25Å; C480-C536 HydrophobicContact CB-CB 3.86Å; C480-C536 WeakPolarHBondContact CB-SG 3.28Å; C480-C536 VanDerWaalsContact SG-CA 3.52Å; C480-C536 WeakPolarHBondContact SG-CB 3.47Å; C480-C536 CovalentContact SG-SG 2.04Å; C480-C536 PolarHBondContact SG-SG 3.35Å
481	R	61.4	Low	48.6	Very low	24 Å²	24	72.8 Å²	72.8	9%	0.091	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	164.3	170.8	-83	-174.2	-176.4	168.6	4	108.9	G483 W488 I496 E497 Y533 Y534 A535 C536	R481-G483 PolarHBondContact O-N 3.24Å; R481-W488 HydrophobicContact CB-CH2 3.95Å; R481-W488 HydrophobicContact CB-CZ3 3.71Å; R481-I496 VanDerWaalsContact NH1-CG1 3.29Å; R481-E497 PolarHBondContact NH2-O 3.3Å; R481-Y533 HydrophobicContact CB-CD1 4.47Å; R481-Y533 HydrophobicContact CB-CG 4.18Å; R481-Y533 HydrophobicContact CG-CD1 3.66Å; R481-Y533 HydrophobicContact CG-CD2 4.19Å; R481-Y533 HydrophobicContact CG-CE1 4.26Å; R481-Y533 HydrophobicContact CG-CG 3.69Å; R481-Y533 PolarHBondContact NH2-OH 3.39Å; R481-Y534 PolarHBondContact N-O 3.04Å; R481-A535 CarbonylContact O-C 3.28Å; R481-A535 VanDerWaalsContact O-CA 3.25Å; R481-A535 WeakPolarHBondContact O-CA 3.08Å; R481-C536 VanDerWaalsContact C-SG 3.59Å; R481-C536 PolarHBondContact N-SG 3.49Å; R481-C536 PolarHBondContact O-N 3.03Å; R481-C536 PolarHBondContact O-SG 2.8Å
482	P	53.7	Low	48.5	Very low	36 Å²	36	72.7 Å²	72.7	23%	0.234	37%	0.372	C	S	.	.			trans	-46.1	132.6	161.9	-29.5	38.5	0	0	0	111.2	C448 L486 W488	C448-P482 WeakPolarHBondContact SG-CB 3.49Å; C448-P482 WeakPolarHBondContact SG-CG 3.44Å; P482-L486 HydrophobicContact CB-CD1 4.24Å; P482-W488 VanDerWaalsContact O-CH2 3.23Å; P482-W488 WeakPolarHBondContact O-CH2 3.44Å; P482-W488 WeakPolarHBondContact O-CZ3 3.43Å
483	G	53	Low	48.4	Very low	0 Å²	0	72 Å²	72	0%	0	37%	0.366	C	S	.	.			trans	-82	-179.6	173.5	0	0	0	0	0	113.9	R481 I485 L486 E537	R481-G483 PolarHBondContact O-N 3.24Å; G483-I485 PolarHBondContact O-N 3.28Å; G483-L486 PolarHBondContact O-N 3.16Å; G483-L486 VanDerWaalsContact O-N 3.12Å; G483-L486 VanDerWaalsContact O-O 3.11Å; G483-E537 WeakPolarHBondContact CA-OE1 3.03Å; G483-E537 PolarHBondContact N-OE1 3.16Å; G483-E537 PolarHBondContact N-OE2 3.16Å; G483-E537 VanDerWaalsContact N-OE2 3.12Å
484	P	49.7	Very low	48.4	Very low	20 Å²	20	64 Å²	64	13%	0.13	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-1.2	-161.1	24.9	-35.3	0	0	0	116.8	L486 E553	P484-L486 CarbonylContact C-O 3.5Å; P484-L486 VanDerWaalsContact C-O 3.28Å; P484-L486 VanDerWaalsContact CA-O 3.25Å; P484-L486 WeakPolarHBondContact CA-O 3.19Å; P484-L486 CarbonylContact O-C 3.52Å; P484-L486 PolarHBondContact O-N 3.13Å; P484-E553 HydrophobicContact CB-CB 4.35Å; P484-E553 WeakPolarHBondContact CB-OE2 3.38Å; P484-E553 HydrophobicContact CG-CB 3.46Å; P484-E553 VanDerWaalsContact CG-CB 3.46Å; P484-E553 HydrophobicContact CG-CG 4.45Å; P484-E553 WeakPolarHBondContact CG-OE2 3.09Å
485	I	46	Very low	48.2	Very low	122 Å²	122	62.6 Å²	62.6	63%	0.626	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.8	168.6	-60.5	165.8	0	0	0	110.2	P447 G483	P447-I485 HydrophobicContact CB-CB 3.61Å; P447-I485 HydrophobicContact CB-CD1 3.92Å; P447-I485 HydrophobicContact CB-CG1 4.34Å; P447-I485 HydrophobicContact CB-CG2 3.71Å; P447-I485 HydrophobicContact CG-CB 3.65Å; P447-I485 HydrophobicContact CG-CG2 3.75Å; G483-I485 PolarHBondContact O-N 3.28Å
486	L	41.7	Very low	48.3	Very low	30 Å²	30	61.8 Å²	61.8	16%	0.157	32%	0.32	C	S	.	.	S	Bend	trans	-102.1	120.8	152.5	-71.6	154.7	0	0	0	106.1	P447 C448 P482 G483 P484 W488 I493 F494	P447-L486 HydrophobicContact CG-CB 4.39Å; P447-L486 HydrophobicContact CG-CD1 3.58Å; P447-L486 HydrophobicContact CG-CG 3.71Å; C448-L486 WeakPolarHBondContact SG-CD1 3.49Å; P482-L486 HydrophobicContact CB-CD1 4.24Å; G483-L486 PolarHBondContact O-N 3.16Å; G483-L486 VanDerWaalsContact O-N 3.12Å; G483-L486 VanDerWaalsContact O-O 3.11Å; P484-L486 CarbonylContact C-O 3.5Å; P484-L486 VanDerWaalsContact C-O 3.28Å; P484-L486 VanDerWaalsContact CA-O 3.25Å; P484-L486 WeakPolarHBondContact CA-O 3.19Å; P484-L486 CarbonylContact O-C 3.52Å; P484-L486 PolarHBondContact O-N 3.13Å; L486-W488 PolarHBondContact O-N 3.13Å; L486-I493 HydrophobicContact CD2-CD1 4.1Å; L486-F494 HydrophobicContact CB-CE2 4.37Å; L486-F494 HydrophobicContact CD1-CE2 3.49Å; L486-F494 VanDerWaalsContact CD1-CE2 3.49Å; L486-F494 HydrophobicContact CD1-CZ 3.61Å; L486-F494 HydrophobicContact CD2-CE2 4.28Å; L486-F494 HydrophobicContact CG-CE2 4.24Å
487	Q	44.5	Very low	48.7	Very low	125 Å²	125	64.6 Å²	64.6	58%	0.584	32%	0.324	S	S	*	.			trans	-62.6	139.5	-172.8	-64.5	-170.7	-23.9	0	0	109.3	S489 D490	Q487-S489 VanDerWaalsContact CB-OG 3.27Å; Q487-S489 WeakPolarHBondContact CB-OG 3.49Å; Q487-S489 PolarHBondContact O-N 2.94Å; Q487-S489 PolarHBondContact OE1-OG 2.84Å; Q487-D490 PolarHBondContact N-OD2 3.12Å; Q487-D490 WeakPolarHBondContact O-CB 3.5Å; Q487-D490 PolarHBondContact O-N 3.18Å
488	W	47.6	Very low	49.1	Very low	28 Å²	28	63.4 Å²	63.4	11%	0.106	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-7.9	175.3	-60.9	103.3	0	0	0	113.6	R481 P482 L486 G519 P520	R481-W488 HydrophobicContact CB-CH2 3.95Å; R481-W488 HydrophobicContact CB-CZ3 3.71Å; P482-W488 VanDerWaalsContact O-CH2 3.23Å; P482-W488 WeakPolarHBondContact O-CH2 3.44Å; P482-W488 WeakPolarHBondContact O-CZ3 3.43Å; L486-W488 PolarHBondContact O-N 3.13Å; W488-G519 VanDerWaalsContact CD2-CA 3.43Å; W488-G519 VanDerWaalsContact CG-CA 3.5Å; W488-P520 HydrophobicContact CE3-CG 4.23Å
489	S	41.7	Very low	49.7	Very low	47 Å²	47	67.3 Å²	67.3	33%	0.329	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-13.7	170.8	47.9	0	0	0	0	114.9	Q487 N491	Q487-S489 VanDerWaalsContact CB-OG 3.27Å; Q487-S489 WeakPolarHBondContact CB-OG 3.49Å; Q487-S489 PolarHBondContact O-N 2.94Å; Q487-S489 PolarHBondContact OE1-OG 2.84Å; S489-N491 PolarHBondContact O-N 3.41Å
490	D	46.5	Very low	50.4	Low	55 Å²	55	70.8 Å²	70.8	29%	0.294	37%	0.368	S	S	.	.			trans	-80.1	55.4	-177.4	-69.8	-33.6	0	0	0	112.3	Q487 N492 I493	Q487-D490 PolarHBondContact N-OD2 3.12Å; Q487-D490 WeakPolarHBondContact O-CB 3.5Å; Q487-D490 PolarHBondContact O-N 3.18Å; D490-N492 PolarHBondContact O-N 3.02Å; D490-I493 HydrophobicContact CB-CB 4.42Å; D490-I493 HydrophobicContact CB-CD1 3.91Å; D490-I493 HydrophobicContact CB-CG1 4.09Å; D490-I493 PolarHBondContact O-N 3.38Å
491	N	46.3	Very low	51	Low	76 Å²	76	72.1 Å²	72.1	41%	0.406	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-17.4	171	-71.2	0.1	0	0	0	112.7	S489 I493	S489-N491 PolarHBondContact O-N 3.41Å; N491-I493 VanDerWaalsContact C-N 3.27Å; N491-I493 PolarHBondContact O-N 3.37Å
492	N	40	Very low	51.7	Low	157 Å²	157	71 Å²	71	84%	0.84	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-24.2	173.4	-65.6	-14.4	0	0	0	112.9	D490	D490-N492 PolarHBondContact O-N 3.02Å
493	I	42.3	Very low	52.7	Low	47 Å²	47	69.3 Å²	69.3	24%	0.241	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-34.9	-173.7	-57.8	-177.7	0	0	0	111	H462 L486 D490 N491	H462-I493 PolarHBondContact CD2-O 3.33Å; H462-I493 WeakPolarHBondContact NE2-CA 3.48Å; H462-I493 VanDerWaalsContact NE2-CG2 3.31Å; H462-I493 WeakPolarHBondContact NE2-CG2 3.48Å; H462-I493 PolarHBondContact NE2-O 2.76Å; L486-I493 HydrophobicContact CD2-CD1 4.1Å; D490-I493 HydrophobicContact CB-CB 4.42Å; D490-I493 HydrophobicContact CB-CD1 3.91Å; D490-I493 HydrophobicContact CB-CG1 4.09Å; D490-I493 PolarHBondContact O-N 3.38Å; N491-I493 VanDerWaalsContact C-N 3.27Å; N491-I493 PolarHBondContact O-N 3.37Å
494	F	43.8	Very low	53.8	Low	43 Å²	43	72.6 Å²	72.6	19%	0.189	38%	0.375	C	S	.	.			trans	-132.7	128.2	179.2	-54	-79.1	0	0	0	112.5	P464 L486 I496	P464-F494 HydrophobicContact CG-CE1 4.34Å; L486-F494 HydrophobicContact CB-CE2 4.37Å; L486-F494 HydrophobicContact CD1-CE2 3.49Å; L486-F494 VanDerWaalsContact CD1-CE2 3.49Å; L486-F494 HydrophobicContact CD1-CZ 3.61Å; L486-F494 HydrophobicContact CD2-CE2 4.28Å; L486-F494 HydrophobicContact CG-CE2 4.24Å; F494-I496 PolarHBondContact O-N 2.87Å; F494-I496 VanDerWaalsContact O-N 3.15Å
495	Q	43.7	Very low	54.9	Low	153 Å²	153	72.4 Å²	72.4	72%	0.715	38%	0.377	S	S	*	.			trans	-72.5	108.1	160.3	-80.5	-169.1	-45.6	0	0	109.3	E497	Q495-E497 PolarHBondContact O-N 3Å
496	I	52.4	Low	56.6	Low	46 Å²	46	70.3 Å²	70.3	24%	0.236	36%	0.361	C	S	.	.			trans	-77.5	99.7	-176.8	-100.4	173.5	0	0	0	107.9	R481 F494 P498	R481-I496 VanDerWaalsContact NH1-CG1 3.29Å; F494-I496 PolarHBondContact O-N 2.87Å; F494-I496 VanDerWaalsContact O-N 3.15Å; I496-P498 VanDerWaalsContact O-CD 3.29Å; I496-P498 WeakPolarHBondContact O-CD 3.26Å
497	E	53.3	Low	58.5	Low	161 Å²	161	74.4 Å²	74.4	75%	0.752	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-65.1	117.1	176.3	-79.2	-162.9	157.3	0	0	110	R481 Q495 R499 Y533	R481-E497 PolarHBondContact NH2-O 3.3Å; Q495-E497 PolarHBondContact O-N 3Å; E497-R499 PolarHBondContact O-N 3.13Å; E497-Y533 PolarHBondContact O-OH 2.82Å
498	P	57.8	Low	60.3	Low	103 Å²	103	69.1 Å²	69.1	67%	0.669	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-66.9	129.1	-179	27.3	-34	0	0	0	109.9	I496 E511	I496-P498 VanDerWaalsContact O-CD 3.29Å; I496-P498 WeakPolarHBondContact O-CD 3.26Å; P498-E511 WeakPolarHBondContact CA-OE2 3.27Å; P498-E511 VanDerWaalsContact CB-OE2 3.32Å; P498-E511 WeakPolarHBondContact CB-OE2 3.45Å
499	R	63	Low	61.9	Low	111 Å²	111	72.9 Å²	72.9	42%	0.419	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-101.7	133.6	174.9	-73.6	-162.8	179.3	-161.9	-0.8	110.6	A479 E497 K501 E511 Y533	A479-R499 VanDerWaalsContact CA-NH1 3.33Å; A479-R499 VanDerWaalsContact CB-CD 3.48Å; A479-R499 VanDerWaalsContact CB-NH1 3.26Å; E497-R499 PolarHBondContact O-N 3.13Å; R499-K501 PolarHBondContact O-N 3.45Å; R499-E511 PolarHBondContact N-OE1 3.04Å; R499-Y533 HydrophobicContact CB-CE1 4.28Å; R499-Y533 WeakPolarHBondContact CB-OH 3.17Å; R499-Y533 HydrophobicContact CG-CE1 3.98Å; R499-Y533 PolarHBondContact N-OH 3.35Å
500	S	69.5	Low	63.6	Low	74 Å²	74	76.8 Å²	76.8	52%	0.517	40%	0.396	S	S	.	.	S	Bend	trans	-68.2	10.8	169.4	59.1	0	0	0	0	114.1	Q507 C508	S500-Q507 WeakPolarHBondContact O-CA 3.35Å; S500-Q507 PolarHBondContact O-NE2 2.78Å; S500-Q507 PolarHBondContact O-OE1 3.13Å; S500-C508 PolarHBondContact O-N 3.16Å
501	K	73.6	Confident	64.7	Low	56 Å²	56	76 Å²	76	24%	0.243	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-141.7	142.5	-178	-66.6	-171.1	173.2	-153.9	0	113.2	Y477 R499 R506	Y477-K501 HydrophobicContact CD1-CD 4.14Å; Y477-K501 VanDerWaalsContact CD1-NZ 3.35Å; Y477-K501 VanDerWaalsContact CE1-NZ 3.28Å; R499-K501 PolarHBondContact O-N 3.45Å; K501-R506 CarbonylContact C-O 3.57Å; K501-R506 WeakPolarHBondContact CA-O 3.19Å
502	T	76.5	Confident	65.9	Low	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.379	C	S	.	.			trans	-71	171.1	171.3	81.3	0	0	0	0	111.7	T504 G505 R506 C522 I524 E530 C532	T502-T504 PolarHBondContact O-N 3.38Å; T502-T504 VanDerWaalsContact O-N 3.16Å; T502-T504 PolarHBondContact OG1-N 3.19Å; T502-T504 PolarHBondContact OG1-OG1 3.34Å; T502-G505 WeakPolarHBondContact O-CA 3.17Å; T502-G505 PolarHBondContact O-N 3.38Å; T502-R506 HydrophobicContact CG2-CB 4.2Å; T502-R506 PolarHBondContact N-O 3.03Å; T502-C522 HydrophobicContact CG2-CB 3.58Å; T502-I524 HydrophobicContact CG2-CG1 3.9Å; T502-E530 VanDerWaalsContact CB-OE2 3.31Å; T502-E530 WeakPolarHBondContact CB-OE2 3.23Å; T502-E530 PolarHBondContact OG1-OE2 3.44Å; T502-C532 CarbonylContact C-O 3.41Å
503	R	75	Confident	66.8	Low	1 Å²	1	72.8 Å²	72.8	0%	0.004	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.1	177.7	69.3	-168.1	-179.2	169.7	-2.9	114.6	E530 P531 C532 Y534 N555 H608	R503-E530 HydrophobicContact CG-CG 4.3Å; R503-E530 WeakPolarHBondContact CG-OE1 3.49Å; R503-E530 IonicContact NE-OE1 2.78Å; R503-P531 WeakPolarHBondContact CD-O 3.29Å; R503-P531 WeakPolarHBondContact CG-O 3.35Å; R503-P531 PolarHBondContact N-O 3.41Å; R503-C532 PolarHBondContact N-O 3.21Å; R503-Y534 HydrophobicContact CB-CD2 3.93Å; R503-Y534 HydrophobicContact CB-CE1 4.41Å; R503-Y534 HydrophobicContact CB-CE2 3.74Å; R503-Y534 HydrophobicContact CB-CG 4.33Å; R503-Y534 HydrophobicContact CG-CD1 4.46Å; R503-Y534 HydrophobicContact CG-CD2 4.46Å; R503-Y534 HydrophobicContact CG-CE1 3.95Å; R503-Y534 HydrophobicContact CG-CE2 3.95Å; R503-N555 PolarHBondContact NH1-OD1 3.24Å; R503-H608 PolarHBondContact NH2-CD2 3.48Å; R503-H608 PolarHBondContact NH2-NE2 2.76Å; R503-H608 VanDerWaalsContact NH2-NE2 3.18Å
504	T	74.5	Confident	67.5	Low	69 Å²	69	72.9 Å²	72.9	42%	0.423	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	9.1	170.9	53.1	0	0	0	0	113.7	T502 R506 E530	T502-T504 PolarHBondContact O-N 3.38Å; T502-T504 VanDerWaalsContact O-N 3.16Å; T502-T504 PolarHBondContact OG1-N 3.19Å; T502-T504 PolarHBondContact OG1-OG1 3.34Å; T504-R506 VanDerWaalsContact C-N 3.34Å; T504-R506 PolarHBondContact O-N 2.86Å; T504-R506 PolarHBondContact OG1-NE 3.07Å; T504-E530 WeakPolarHBondContact CB-OE1 3.48Å; T504-E530 WeakPolarHBondContact CG2-OE1 3.14Å; T504-E530 PolarHBondContact N-OE1 3.16Å; T504-E530 PolarHBondContact OG1-OE1 3.05Å; T504-E530 PolarHBondContact OG1-OE2 2.9Å
505	G	74	Confident	68.1	Low	17 Å²	17	77.3 Å²	77.3	18%	0.175	39%	0.393	C	S	.	.	S	Bend	trans	81.5	5.9	174.4	0	0	0	0	0	115.5	T502	T502-G505 WeakPolarHBondContact O-CA 3.17Å; T502-G505 PolarHBondContact O-N 3.38Å
506	R	80.9	Confident	69	Low	77 Å²	77	70.7 Å²	70.7	29%	0.291	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-73.4	150.9	175.1	-65.3	-172.6	-77.6	-165.5	-12.2	110.9	K501 T502 T504 C508 I524 E530 E607	K501-R506 CarbonylContact C-O 3.57Å; K501-R506 WeakPolarHBondContact CA-O 3.19Å; T502-R506 HydrophobicContact CG2-CB 4.2Å; T502-R506 PolarHBondContact N-O 3.03Å; T504-R506 VanDerWaalsContact C-N 3.34Å; T504-R506 PolarHBondContact O-N 2.86Å; T504-R506 PolarHBondContact OG1-NE 3.07Å; R506-C508 PolarHBondContact O-N 2.85Å; R506-I524 HydrophobicContact CB-CG2 4.45Å; R506-I524 VanDerWaalsContact CZ-CD1 3.41Å; R506-E530 IonicContact CZ-OE2 2.84Å; R506-E530 IonicContact NE-OE2 3.5Å; R506-E530 PolarHBondContact NE-OE2 3.25Å; R506-E530 VanDerWaalsContact NE-OE2 3.11Å; R506-E530 IonicContact NH2-OE1 3.19Å; R506-E530 IonicContact NH2-OE2 3.59Å; R506-E530 PolarHBondContact NH2-OE2 3.09Å; R506-E607 IonicContact CZ-OE1 2.67Å; R506-E607 IonicContact CZ-OE2 2.7Å; R506-E607 IonicContact NH1-OE1 2.78Å; R506-E607 PolarHBondContact NH1-OE1 2.79Å; R506-E607 IonicContact NH1-OE2 3.71Å; R506-E607 PolarHBondContact NH1-OE2 3.13Å; R506-E607 IonicContact NH2-OE1 3.31Å; R506-E607 IonicContact NH2-OE2 3.29Å; R506-E607 PolarHBondContact NH2-OE2 2.9Å
507	Q	82.5	Confident	69.6	Low	117 Å²	117	73.7 Å²	73.7	55%	0.547	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-64.8	128.6	179.6	-163.7	71.3	13.2	0	0	110.7	S500	S500-Q507 WeakPolarHBondContact O-CA 3.35Å; S500-Q507 PolarHBondContact O-NE2 2.78Å; S500-Q507 PolarHBondContact O-OE1 3.13Å
508	C	81.2	Confident	70.4	Confident	14 Å²	14	66.2 Å²	66.2	10%	0.095	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-84.3	122.3	171.1	-166.5	0	0	0	0	108.8	S500 R506 E510 C522	S500-C508 PolarHBondContact O-N 3.16Å; R506-C508 PolarHBondContact O-N 2.85Å; C508-E510 PolarHBondContact SG-O 3.49Å; C508-C522 HydrophobicContact CB-CB 3.93Å; C508-C522 WeakPolarHBondContact CB-SG 3.37Å; C508-C522 VanDerWaalsContact SG-CA 3.54Å; C508-C522 WeakPolarHBondContact SG-CB 3.33Å; C508-C522 CovalentContact SG-SG 2.03Å; C508-C522 PolarHBondContact SG-SG 2.89Å
509	V	81.8	Confident	70.9	Confident	106 Å²	106	61.4 Å²	61.4	64%	0.642	31%	0.307	S	S	*	.	S	Bend	trans	-80.1	-40.4	177	-178.9	0	0	0	0	110.5	Y523	V509-Y523 PolarHBondContact N-O 3.33Å
510	E	77.4	Confident	71.4	Confident	130 Å²	130	56.7 Å²	56.7	61%	0.607	29%	0.29	S	S	*	.			trans	-156.5	136.6	-178.4	-178.3	172.8	-163.7	0	0	108.3	C508 Y523	C508-E510 PolarHBondContact SG-O 3.49Å; E510-Y523 HydrophobicContact CB-CD2 4.02Å; E510-Y523 HydrophobicContact CG-CD2 4.39Å; E510-Y523 PolarHBondContact O-N 2.68Å
511	E	69.4	Low	71.9	Confident	39 Å²	39	53.1 Å²	53.1	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	118.5	171.1	-74.4	-167.3	147.3	0	0	109.2	P498 R499 E513 M521 Y533	P498-E511 WeakPolarHBondContact CA-OE2 3.27Å; P498-E511 VanDerWaalsContact CB-OE2 3.32Å; P498-E511 WeakPolarHBondContact CB-OE2 3.45Å; R499-E511 PolarHBondContact N-OE1 3.04Å; E511-E513 PolarHBondContact O-N 3.46Å; E511-M521 CarbonylContact C-O 3.49Å; E511-M521 WeakPolarHBondContact CA-O 3.42Å; E511-Y533 PolarHBondContact OE1-OH 2.82Å
512	E	70.7	Confident	72.2	Confident	38 Å²	38	50.5 Å²	50.5	18%	0.178	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	93.1	168.3	-171.5	177.5	-140	0	0	108.3	S514 M521 Y523 R529 K604	E512-S514 PolarHBondContact O-N 3Å; E512-M521 HydrophobicContact CB-CB 4.18Å; E512-M521 PolarHBondContact N-O 3.14Å; E512-M521 PolarHBondContact O-N 2.9Å; E512-Y523 HydrophobicContact CB-CD2 4.45Å; E512-Y523 HydrophobicContact CB-CE2 3.79Å; E512-Y523 VanDerWaalsContact CD-OH 3.27Å; E512-Y523 HydrophobicContact CG-CE2 4.35Å; E512-Y523 PolarHBondContact OE1-OH 3.26Å; E512-Y523 PolarHBondContact OE2-OH 3.04Å; E512-R529 IonicContact OE1-NH1 3.33Å; E512-R529 WeakPolarHBondContact OE2-CD 3.3Å; E512-R529 IonicContact OE2-CZ 3.62Å; E512-R529 IonicContact OE2-NE 2.79Å; E512-R529 IonicContact OE2-NH1 3.05Å; E512-R529 PolarHBondContact OE2-NH1 3.43Å; E512-K604 IonicContact OE1-NZ 3.99Å; E512-K604 PolarHBondContact OE1-NZ 3.38Å; E512-K604 IonicContact OE2-NZ 3.91Å
513	E	60.5	Low	72.6	Confident	127 Å²	127	52.2 Å²	52.2	59%	0.593	26%	0.261	S	S	*	.			trans	-62.3	8	177.3	-65.8	-168.2	155.5	0	0	114.7	E511 H515	E511-E513 PolarHBondContact O-N 3.46Å; E513-H515 PolarHBondContact O-N 2.91Å
514	S	56.1	Low	73.1	Confident	48 Å²	48	53.7 Å²	53.7	34%	0.336	27%	0.269	S	S	.	.			trans	-50.4	139.3	176.7	65.9	0	0	0	0	111.7	E512 S516	E512-S514 PolarHBondContact O-N 3Å; S514-S516 PolarHBondContact O-N 2.96Å
515	H	56.3	Low	73.5	Confident	137 Å²	137	53.7 Å²	53.7	63%	0.634	27%	0.266	S	S	*	.			trans	-69.2	60.4	177	-54.3	-52.3	0	0	0	112.2	E513	E513-H515 PolarHBondContact O-N 2.91Å
516	S	63	Low	73.6	Confident	13 Å²	13	57.8 Å²	57.8	9%	0.091	30%	0.298	C	S	.	.			trans	-70.4	139.7	174.9	161.9	0	0	0	0	109.8	S514 I518 G519	S514-S516 PolarHBondContact O-N 2.96Å; S516-I518 PolarHBondContact O-N 2.75Å; S516-I518 PolarHBondContact OG-N 2.7Å; S516-G519 VanDerWaalsContact CB-O 3.28Å; S516-G519 WeakPolarHBondContact CB-O 3.3Å; S516-G519 PolarHBondContact O-N 2.59Å; S516-G519 PolarHBondContact OG-O 3.29Å
517	Y	64.8	Low	73.6	Confident	110 Å²	110	58.7 Å²	58.7	43%	0.431	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-14.9	175.2	-66.7	-88.1	0	0	0	114	A597 L617	Y517-A597 HydrophobicContact CD2-CB 3.81Å; Y517-A597 HydrophobicContact CE2-CB 3.35Å; Y517-L617 HydrophobicContact CD1-CD2 3.98Å; Y517-L617 HydrophobicContact CD2-CD2 4.31Å; Y517-L617 HydrophobicContact CG-CD2 3.7Å
518	I	69.1	Low	73.6	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.021	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	11.2	177.2	-43.8	-173.8	0	0	0	111	S516 P531 N555 L601 M606 L612	S516-I518 PolarHBondContact O-N 2.75Å; S516-I518 PolarHBondContact OG-N 2.7Å; I518-P531 HydrophobicContact CB-CG 4.2Å; I518-P531 HydrophobicContact CG2-CB 4.09Å; I518-P531 HydrophobicContact CG2-CG 3.63Å; I518-N555 HydrophobicContact CG2-CB 4.31Å; I518-N555 PolarHBondContact O-ND2 2.88Å; I518-L601 HydrophobicContact CD1-CD2 3.9Å; I518-L601 HydrophobicContact CG1-CD1 4.4Å; I518-L601 HydrophobicContact CG1-CD2 4.13Å; I518-M606 HydrophobicContact CD1-CE 3.98Å; I518-L612 HydrophobicContact CD1-CD1 3.72Å; I518-L612 HydrophobicContact CG1-CD1 4.3Å
519	G	69.3	Low	73.9	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.01	29%	0.289	C	S	.	.			trans	81.9	-173.6	-177.1	0	0	0	0	0	114.1	W488 S516	W488-G519 VanDerWaalsContact CD2-CA 3.43Å; W488-G519 VanDerWaalsContact CG-CA 3.5Å; S516-G519 VanDerWaalsContact CB-O 3.28Å; S516-G519 WeakPolarHBondContact CB-O 3.3Å; S516-G519 PolarHBondContact O-N 2.59Å; S516-G519 PolarHBondContact OG-O 3.29Å
520	P	72.7	Confident	74	Confident	12 Å²	12	48.8 Å²	48.8	8%	0.078	26%	0.259	C	S	.	.			trans	-51.9	143.4	-176.9	-29.2	36.2	0	0	0	112.9	W488 P531 C532 Y533	W488-P520 HydrophobicContact CE3-CG 4.23Å; P520-P531 CarbonylContact O-C 3.49Å; P520-P531 WeakPolarHBondContact O-CA 3.45Å; P520-C532 HydrophobicContact CB-CB 4.38Å; P520-C532 PolarHBondContact O-N 3.47Å; P520-C532 PolarHBondContact O-SG 2.04Å; P520-Y533 HydrophobicContact CB-CD2 4.48Å; P520-Y533 HydrophobicContact CB-CE2 4.42Å
521	M	80	Confident	74.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.1	-172.6	-66.1	-59.5	-54.9	0	0	111.1	E511 E512 R529 P531 M606	E511-M521 CarbonylContact C-O 3.49Å; E511-M521 WeakPolarHBondContact CA-O 3.42Å; E512-M521 HydrophobicContact CB-CB 4.18Å; E512-M521 PolarHBondContact N-O 3.14Å; E512-M521 PolarHBondContact O-N 2.9Å; M521-R529 HydrophobicContact CE-CB 3.92Å; M521-R529 HydrophobicContact CE-CG 3.64Å; M521-P531 HydrophobicContact CE-CG 4.09Å; M521-P531 HydrophobicContact SD-CB 4.04Å; M521-P531 HydrophobicContact SD-CG 3.74Å; M521-M606 HydrophobicContact CE-CG 3.77Å; M521-M606 HydrophobicContact CE-SD 3.28Å; M521-M606 WeakPolarHBondContact CE-SD 3.49Å; M521-M606 HydrophobicContact SD-SD 3.95Å
522	C	81.3	Confident	74.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.6	175.9	-98.7	0	0	0	0	110.1	T502 C508 I524 R529 E530 C532	T502-C522 HydrophobicContact CG2-CB 3.58Å; C508-C522 HydrophobicContact CB-CB 3.93Å; C508-C522 WeakPolarHBondContact CB-SG 3.37Å; C508-C522 VanDerWaalsContact SG-CA 3.54Å; C508-C522 WeakPolarHBondContact SG-CB 3.33Å; C508-C522 CovalentContact SG-SG 2.03Å; C508-C522 PolarHBondContact SG-SG 2.89Å; C522-I524 PolarHBondContact O-N 3.34Å; C522-R529 CarbonylContact O-C 3.57Å; C522-R529 WeakPolarHBondContact O-CA 3.33Å; C522-R529 WeakPolarHBondContact O-CB 3.31Å; C522-E530 PolarHBondContact N-O 3.37Å; C522-E530 PolarHBondContact O-N 3.49Å; C522-C532 PolarHBondContact N-SG 3.31Å; C522-C532 PolarHBondContact SG-SG 3.11Å
523	Y	85.3	Confident	74.7	Confident	37 Å²	37	39.1 Å²	39.1	15%	0.145	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	119.8	164.6	-71.9	-79	0	0	0	110.2	V509 E510 E512 R529 K604	V509-Y523 PolarHBondContact N-O 3.33Å; E510-Y523 HydrophobicContact CB-CD2 4.02Å; E510-Y523 HydrophobicContact CG-CD2 4.39Å; E510-Y523 PolarHBondContact O-N 2.68Å; E512-Y523 HydrophobicContact CB-CD2 4.45Å; E512-Y523 HydrophobicContact CB-CE2 3.79Å; E512-Y523 VanDerWaalsContact CD-OH 3.27Å; E512-Y523 HydrophobicContact CG-CE2 4.35Å; E512-Y523 PolarHBondContact OE1-OH 3.26Å; E512-Y523 PolarHBondContact OE2-OH 3.04Å; Y523-R529 HydrophobicContact CD1-CB 4.27Å; Y523-R529 HydrophobicContact CE1-CB 4.44Å; Y523-K604 PolarHBondContact OH-NZ 3.02Å
524	I	84	Confident	75.4	Confident	32 Å²	32	33.7 Å²	33.7	16%	0.164	19%	0.188	C	C	.	.	S	Bend	trans	-82.7	-30.5	173.2	-58.4	152.2	0	0	0	109.8	T502 R506 C522 A528 E530 E607	T502-I524 HydrophobicContact CG2-CG1 3.9Å; R506-I524 HydrophobicContact CB-CG2 4.45Å; R506-I524 VanDerWaalsContact CZ-CD1 3.41Å; C522-I524 PolarHBondContact O-N 3.34Å; I524-A528 PolarHBondContact N-O 3.23Å; I524-E530 HydrophobicContact CD1-CB 3.5Å; I524-E530 VanDerWaalsContact CD1-CB 3.5Å; I524-E530 HydrophobicContact CG1-CB 4.11Å; I524-E607 HydrophobicContact CD1-CB 4.31Å; I524-E607 HydrophobicContact CD1-CG 4.47Å
525	N	83.1	Confident	76.2	Confident	69 Å²	69	31.4 Å²	31.4	37%	0.369	17%	0.172	S	C	.	.	S	Bend	trans	-152.6	-177.3	172.4	63.4	47.9	0	0	0	108.5	T527 A528	N525-T527 PolarHBondContact O-N 2.88Å; N525-T527 PolarHBondContact OD1-N 2.99Å; N525-T527 PolarHBondContact OD1-OG1 3.46Å; N525-A528 PolarHBondContact N-O 2.77Å; N525-A528 PolarHBondContact OD1-N 3.05Å
526	A	77	Confident	76.7	Confident	102 Å²	102	25.6 Å²	25.6	84%	0.843	15%	0.146	S	C	*	.	S	Bend	trans	-62.6	-8.8	-175.8	0	0	0	0	0	116.1
527	T	79.7	Confident	76.9	Confident	97 Å²	97	27.8 Å²	27.8	60%	0.595	16%	0.155	S	C	*	.	S	Bend	trans	-131.3	-22.2	-176.5	60.6	0	0	0	0	114.8	N525 P605	N525-T527 PolarHBondContact O-N 2.88Å; N525-T527 PolarHBondContact OD1-N 2.99Å; N525-T527 PolarHBondContact OD1-OG1 3.46Å; T527-P605 WeakPolarHBondContact O-CD 3.22Å; T527-P605 WeakPolarHBondContact O-CG 3.22Å
528	A	83.6	Confident	77.7	Confident	11 Å²	11	23 Å²	23	9%	0.091	14%	0.137	C	C	.	.			trans	-113.9	131.6	-176.2	0	0	0	0	0	112.2	I524 N525 P605	I524-A528 PolarHBondContact N-O 3.23Å; N525-A528 PolarHBondContact N-O 2.77Å; N525-A528 PolarHBondContact OD1-N 3.05Å; A528-P605 WeakPolarHBondContact CA-O 3.32Å
529	R	87	Confident	77.9	Confident	16 Å²	16	24.2 Å²	24.2	6%	0.06	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	157.2	177	60.3	177.7	-171.9	179.7	4.3	112.8	E512 M521 C522 Y523 L601 P605 M606 E607	E512-R529 IonicContact OE1-NH1 3.33Å; E512-R529 WeakPolarHBondContact OE2-CD 3.3Å; E512-R529 IonicContact OE2-CZ 3.62Å; E512-R529 IonicContact OE2-NE 2.79Å; E512-R529 IonicContact OE2-NH1 3.05Å; E512-R529 PolarHBondContact OE2-NH1 3.43Å; M521-R529 HydrophobicContact CE-CB 3.92Å; M521-R529 HydrophobicContact CE-CG 3.64Å; C522-R529 CarbonylContact O-C 3.57Å; C522-R529 WeakPolarHBondContact O-CA 3.33Å; C522-R529 WeakPolarHBondContact O-CB 3.31Å; Y523-R529 HydrophobicContact CD1-CB 4.27Å; Y523-R529 HydrophobicContact CE1-CB 4.44Å; R529-L601 PolarHBondContact NH2-O 2.89Å; R529-P605 PolarHBondContact N-O 3.07Å; R529-M606 HydrophobicContact CG-CB 4.29Å; R529-M606 HydrophobicContact CG-CG 4.42Å; R529-M606 CarbonylContact O-C 3.54Å; R529-M606 VanDerWaalsContact O-CA 3.25Å; R529-M606 WeakPolarHBondContact O-CA 3.5Å; R529-E607 PolarHBondContact O-N 3.01Å
530	E	83.9	Confident	78	Confident	1 Å²	1	28 Å²	28	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	145.6	174.3	171.9	-172.5	-172.9	0	0	108.8	T502 R503 T504 R506 C522 I524 C532	T502-E530 VanDerWaalsContact CB-OE2 3.31Å; T502-E530 WeakPolarHBondContact CB-OE2 3.23Å; T502-E530 PolarHBondContact OG1-OE2 3.44Å; R503-E530 HydrophobicContact CG-CG 4.3Å; R503-E530 WeakPolarHBondContact CG-OE1 3.49Å; R503-E530 IonicContact NE-OE1 2.78Å; T504-E530 WeakPolarHBondContact CB-OE1 3.48Å; T504-E530 WeakPolarHBondContact CG2-OE1 3.14Å; T504-E530 PolarHBondContact N-OE1 3.16Å; T504-E530 PolarHBondContact OG1-OE1 3.05Å; T504-E530 PolarHBondContact OG1-OE2 2.9Å; R506-E530 IonicContact CZ-OE2 2.84Å; R506-E530 IonicContact NE-OE2 3.5Å; R506-E530 PolarHBondContact NE-OE2 3.25Å; R506-E530 VanDerWaalsContact NE-OE2 3.11Å; R506-E530 IonicContact NH2-OE1 3.19Å; R506-E530 IonicContact NH2-OE2 3.59Å; R506-E530 PolarHBondContact NH2-OE2 3.09Å; C522-E530 PolarHBondContact N-O 3.37Å; C522-E530 PolarHBondContact O-N 3.49Å; I524-E530 HydrophobicContact CD1-CB 3.5Å; I524-E530 VanDerWaalsContact CD1-CB 3.5Å; I524-E530 HydrophobicContact CG1-CB 4.11Å; E530-C532 PolarHBondContact O-N 3.08Å
531	P	79.8	Confident	78.4	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	134.7	175.4	-22.4	33	0	0	0	111.8	R503 I518 P520 M521 Y533	R503-P531 WeakPolarHBondContact CD-O 3.29Å; R503-P531 WeakPolarHBondContact CG-O 3.35Å; R503-P531 PolarHBondContact N-O 3.41Å; I518-P531 HydrophobicContact CB-CG 4.2Å; I518-P531 HydrophobicContact CG2-CB 4.09Å; I518-P531 HydrophobicContact CG2-CG 3.63Å; P520-P531 CarbonylContact O-C 3.49Å; P520-P531 WeakPolarHBondContact O-CA 3.45Å; M521-P531 HydrophobicContact CE-CG 4.09Å; M521-P531 HydrophobicContact SD-CB 4.04Å; M521-P531 HydrophobicContact SD-CG 3.74Å; P531-Y533 VanDerWaalsContact C-N 3.31Å; P531-Y533 PolarHBondContact O-N 3.01Å
532	C	76.4	Confident	78.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-67.7	-31.6	-175.3	-55.1	0	0	0	0	112.6	T502 R503 P520 C522 E530	T502-C532 CarbonylContact C-O 3.41Å; R503-C532 PolarHBondContact N-O 3.21Å; P520-C532 HydrophobicContact CB-CB 4.38Å; P520-C532 PolarHBondContact O-N 3.47Å; P520-C532 PolarHBondContact O-SG 2.04Å; C522-C532 PolarHBondContact N-SG 3.31Å; C522-C532 PolarHBondContact SG-SG 3.11Å; E530-C532 PolarHBondContact O-N 3.08Å
533	Y	75.1	Confident	78.8	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.016	21%	0.207	C	C	.	.			trans	-134.1	150.1	-170.5	-52.1	-83.1	0	0	0	111.1	A479 R481 E497 R499 E511 P520 P531 N555	A479-Y533 HydrophobicContact CB-CD1 3.41Å; A479-Y533 VanDerWaalsContact CB-CD1 3.41Å; A479-Y533 HydrophobicContact CB-CE1 3.67Å; R481-Y533 HydrophobicContact CB-CD1 4.47Å; R481-Y533 HydrophobicContact CB-CG 4.18Å; R481-Y533 HydrophobicContact CG-CD1 3.66Å; R481-Y533 HydrophobicContact CG-CD2 4.19Å; R481-Y533 HydrophobicContact CG-CE1 4.26Å; R481-Y533 HydrophobicContact CG-CG 3.69Å; R481-Y533 PolarHBondContact NH2-OH 3.39Å; E497-Y533 PolarHBondContact O-OH 2.82Å; R499-Y533 HydrophobicContact CB-CE1 4.28Å; R499-Y533 WeakPolarHBondContact CB-OH 3.17Å; R499-Y533 HydrophobicContact CG-CE1 3.98Å; R499-Y533 PolarHBondContact N-OH 3.35Å; E511-Y533 PolarHBondContact OE1-OH 2.82Å; P520-Y533 HydrophobicContact CB-CD2 4.48Å; P520-Y533 HydrophobicContact CB-CE2 4.42Å; P531-Y533 VanDerWaalsContact C-N 3.31Å; P531-Y533 PolarHBondContact O-N 3.01Å; Y533-N555 PolarHBondContact O-ND2 3.12Å; Y533-N555 VanDerWaalsContact O-ND2 3.14Å
534	Y	76.1	Confident	78.7	Confident	13 Å²	13	36.2 Å²	36.2	5%	0.051	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	153.1	154.1	-64.3	-62.1	0	0	0	109.8	V478 A479 C480 R481 R503 N555 P557 Q610	V478-Y534 HydrophobicContact CG1-CD2 3.67Å; V478-Y534 HydrophobicContact CG1-CE2 4.06Å; A479-Y534 PolarHBondContact O-N 3.05Å; C480-Y534 CarbonylContact C-O 3.49Å; C480-Y534 WeakPolarHBondContact CA-O 3.49Å; C480-Y534 WeakPolarHBondContact CB-O 3.25Å; R481-Y534 PolarHBondContact N-O 3.04Å; R503-Y534 HydrophobicContact CB-CD2 3.93Å; R503-Y534 HydrophobicContact CB-CE1 4.41Å; R503-Y534 HydrophobicContact CB-CE2 3.74Å; R503-Y534 HydrophobicContact CB-CG 4.33Å; R503-Y534 HydrophobicContact CG-CD1 4.46Å; R503-Y534 HydrophobicContact CG-CD2 4.46Å; R503-Y534 HydrophobicContact CG-CE1 3.95Å; R503-Y534 HydrophobicContact CG-CE2 3.95Å; Y534-N555 CarbonylContact C-O 3.55Å; Y534-N555 WeakPolarHBondContact CA-O 3.48Å; Y534-P557 HydrophobicContact CD1-CB 4.48Å; Y534-P557 HydrophobicContact CD2-CB 4.5Å; Y534-P557 VanDerWaalsContact CE1-CA 3.46Å; Y534-P557 HydrophobicContact CE1-CB 3.95Å; Y534-P557 HydrophobicContact CE2-CB 3.98Å; Y534-Q610 HydrophobicContact CE1-CG 4.32Å; Y534-Q610 PolarHBondContact OH-NE2 2.73Å
535	A	72.8	Confident	78.4	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	127.7	160.9	0	0	0	0	0	109.2	R481 E537 H538 R539 N555	R481-A535 CarbonylContact O-C 3.28Å; R481-A535 VanDerWaalsContact O-CA 3.25Å; R481-A535 WeakPolarHBondContact O-CA 3.08Å; A535-E537 VanDerWaalsContact C-N 3.33Å; A535-E537 PolarHBondContact O-N 3.14Å; A535-H538 HydrophobicContact CB-CB 3.89Å; A535-H538 WeakPolarHBondContact CB-ND1 3.13Å; A535-H538 PolarHBondContact O-N 3.01Å; A535-R539 PolarHBondContact O-N 3.45Å; A535-R539 VanDerWaalsContact O-N 3.12Å; A535-N555 HydrophobicContact CB-CB 4.19Å; A535-N555 PolarHBondContact N-O 3.41Å
536	C	66.9	Low	78.1	Confident	15 Å²	15	38 Å²	38	10%	0.101	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-43.2	-174.4	-68.1	0	0	0	0	111.9	T468 C480 R481 H538 R539	T468-C536 HydrophobicContact CG2-CB 4.24Å; C480-C536 HydrophobicContact CB-CB 3.86Å; C480-C536 WeakPolarHBondContact CB-SG 3.28Å; C480-C536 VanDerWaalsContact SG-CA 3.52Å; C480-C536 WeakPolarHBondContact SG-CB 3.47Å; C480-C536 CovalentContact SG-SG 2.04Å; C480-C536 PolarHBondContact SG-SG 3.35Å; R481-C536 VanDerWaalsContact C-SG 3.59Å; R481-C536 PolarHBondContact N-SG 3.49Å; R481-C536 PolarHBondContact O-N 3.03Å; R481-C536 PolarHBondContact O-SG 2.8Å; C536-H538 PolarHBondContact O-N 2.91Å; C536-R539 PolarHBondContact O-N 3.16Å
537	E	67.9	Low	77.8	Confident	59 Å²	59	39.9 Å²	39.9	28%	0.276	20%	0.203	S	C	.	.	H	α-helix	trans	-62.6	-26	175.2	66.7	-87.6	-144.2	0	0	113	G483 A535	G483-E537 WeakPolarHBondContact CA-OE1 3.03Å; G483-E537 PolarHBondContact N-OE1 3.16Å; G483-E537 PolarHBondContact N-OE2 3.16Å; G483-E537 VanDerWaalsContact N-OE2 3.12Å; A535-E537 VanDerWaalsContact C-N 3.33Å; A535-E537 PolarHBondContact O-N 3.14Å
538	H	80.9	Confident	77.7	Confident	11 Å²	11	40.5 Å²	40.5	5%	0.051	20%	0.199	C	C	.	.	H	α-helix	trans	-92.4	-12.7	-179.6	-63.4	151.1	0	0	0	113.5	A535 C536 E553 Y554 N555	A535-H538 HydrophobicContact CB-CB 3.89Å; A535-H538 WeakPolarHBondContact CB-ND1 3.13Å; A535-H538 PolarHBondContact O-N 3.01Å; C536-H538 PolarHBondContact O-N 2.91Å; H538-E553 PolarHBondContact CE1-O 3.43Å; H538-Y554 HydrophobicContact CB-CD2 3.86Å; H538-Y554 HydrophobicContact CB-CE2 3.63Å; H538-Y554 AromaticContact CD2-CD2 3.99Å; H538-Y554 AromaticContact CG-CD2 3.82Å; H538-Y554 WeakPolarHBondContact O-CE2 3.4Å; H538-Y554 PolarHBondContact O-OH 2.8Å; H538-N555 PolarHBondContact ND1-N 2.72Å; H538-N555 VanDerWaalsContact ND1-N 3.16Å
539	R	73.1	Confident	77.5	Confident	28 Å²	28	40.5 Å²	40.5	11%	0.106	20%	0.197	C	C	.	.	H	α-helix	trans	-64.1	-46.5	-175.5	-179.4	161.6	167.1	-156.5	3.1	112.9	V470 D475 V478 A535 C536 P557	V470-R539 HydrophobicContact CG1-CB 4.31Å; V470-R539 HydrophobicContact CG1-CG 4.14Å; V470-R539 PolarHBondContact O-NH1 2.79Å; D475-R539 IonicContact OD2-CZ 2.69Å; D475-R539 IonicContact OD2-NH2 3.4Å; D475-R539 PolarHBondContact OD2-NH2 3.38Å; V478-R539 VanDerWaalsContact CG1-CZ 3.44Å; A535-R539 PolarHBondContact O-N 3.45Å; A535-R539 VanDerWaalsContact O-N 3.12Å; C536-R539 PolarHBondContact O-N 3.16Å; R539-P557 HydrophobicContact CG-CG 4.43Å; R539-P557 WeakPolarHBondContact O-CD 3.45Å; R539-P557 WeakPolarHBondContact O-CG 3.21Å
540	N	72.2	Confident	77	Confident	81 Å²	81	42.5 Å²	42.5	43%	0.433	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	26.8	-179	-63.5	-21.1	0	0	0	112.2	F542	N540-F542 WeakPolarHBondContact O-CD2 3.46Å; N540-F542 WeakPolarHBondContact O-CE2 3.43Å; N540-F542 PolarHBondContact O-N 2.82Å
541	L	80.7	Confident	76.6	Confident	45 Å²	45	47.6 Å²	47.6	24%	0.236	24%	0.235	C	C	.	.			trans	-77.5	117.2	-178.7	-164.7	69.2	0	0	0	110.1	C543 I544 I552 Y554 F654	L541-C543 VanDerWaalsContact CD1-O 3.31Å; L541-C543 WeakPolarHBondContact CD1-O 3.06Å; L541-C543 WeakPolarHBondContact CG-O 3.25Å; L541-I544 HydrophobicContact CD2-CD1 4.14Å; L541-I544 HydrophobicContact CD2-CG1 3.64Å; L541-I544 HydrophobicContact CG-CG1 4.2Å; L541-I552 HydrophobicContact CD2-CD1 3.85Å; L541-Y554 HydrophobicContact CB-CE2 4.23Å; L541-Y554 HydrophobicContact CD2-CD2 3.76Å; L541-Y554 HydrophobicContact CD2-CE2 3.76Å; L541-F654 HydrophobicContact CB-CE1 4.22Å; L541-F654 HydrophobicContact CD2-CE1 4.03Å; L541-F654 HydrophobicContact CD2-CZ 4.32Å; L541-F654 HydrophobicContact CG-CE1 4Å; L541-F654 WeakPolarHBondContact O-CE1 3.48Å
542	F	82.8	Confident	76.5	Confident	147 Å²	147	48.8 Å²	48.8	65%	0.645	24%	0.241	S	C	*	.			trans	-96.3	-45.8	-179.1	-61.1	-73.5	0	0	0	112.2	N540 K558 F654 M660	N540-F542 WeakPolarHBondContact O-CD2 3.46Å; N540-F542 WeakPolarHBondContact O-CE2 3.43Å; N540-F542 PolarHBondContact O-N 2.82Å; F542-K558 PolarHBondContact O-NZ 2.77Å; F542-K558 VanDerWaalsContact O-NZ 3.11Å; F542-F654 WeakPolarHBondContact O-CD1 3.11Å; F542-M660 HydrophobicContact CB-CE 4.34Å
543	C	85.7	Confident	76.7	Confident	25 Å²	25	51.9 Å²	51.9	17%	0.169	26%	0.256	C	S	.	.			trans	-124.8	169.8	175.1	65.1	0	0	0	0	110.2	L541 R655 C657 M660	L541-C543 VanDerWaalsContact CD1-O 3.31Å; L541-C543 WeakPolarHBondContact CD1-O 3.06Å; L541-C543 WeakPolarHBondContact CG-O 3.25Å; C543-R655 WeakPolarHBondContact CA-O 3.24Å; C543-C657 HydrophobicContact CB-CB 3.88Å; C543-C657 WeakPolarHBondContact CB-SG 3.23Å; C543-C657 WeakPolarHBondContact SG-CA 3.09Å; C543-C657 WeakPolarHBondContact SG-CB 3.01Å; C543-C657 CovalentContact SG-SG 2.04Å; C543-C657 PolarHBondContact SG-SG 3.04Å; C543-M660 HydrophobicContact CB-CB 4.46Å; C543-M660 HydrophobicContact CB-CE 3.82Å; C543-M660 HydrophobicContact CB-SD 3.86Å
544	I	83.5	Confident	77.1	Confident	5 Å²	5	52 Å²	52	3%	0.026	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-130.8	134.9	173.4	-61.7	163.3	0	0	0	107.5	L541 H548 M549 I552 P638 F654 R655 T656 C657	L541-I544 HydrophobicContact CD2-CD1 4.14Å; L541-I544 HydrophobicContact CD2-CG1 3.64Å; L541-I544 HydrophobicContact CG-CG1 4.2Å; I544-H548 HydrophobicContact CG2-CB 3.97Å; I544-M549 HydrophobicContact CB-CE 3.73Å; I544-M549 HydrophobicContact CB-SD 3.91Å; I544-M549 HydrophobicContact CD1-SD 3.97Å; I544-M549 HydrophobicContact CG2-CB 4.36Å; I544-M549 HydrophobicContact CG2-CE 4.31Å; I544-M549 HydrophobicContact CG2-SD 4.12Å; I544-I552 HydrophobicContact CD1-CD1 3.91Å; I544-I552 HydrophobicContact CD1-CG2 4.08Å; I544-I552 HydrophobicContact CG1-CD1 3.98Å; I544-I552 HydrophobicContact CG2-CD1 4.01Å; I544-I552 HydrophobicContact CG2-CG2 4.25Å; I544-P638 HydrophobicContact CD1-CG 3.72Å; I544-F654 HydrophobicContact CD1-CB 3.7Å; I544-F654 HydrophobicContact CD1-CD1 3.66Å; I544-F654 HydrophobicContact CD1-CD2 3.52Å; I544-F654 HydrophobicContact CD1-CE1 4.14Å; I544-F654 HydrophobicContact CD1-CE2 4.03Å; I544-F654 HydrophobicContact CD1-CG 3.32Å; I544-F654 HydrophobicContact CD1-CZ 4.32Å; I544-F654 HydrophobicContact CG1-CB 4.13Å; I544-F654 HydrophobicContact CG1-CD1 3.71Å; I544-F654 HydrophobicContact CG1-CD2 4.48Å; I544-F654 HydrophobicContact CG1-CE1 4.23Å; I544-F654 HydrophobicContact CG1-CG 3.85Å; I544-R655 PolarHBondContact N-O 3.06Å; I544-T656 CarbonylContact O-C 3.49Å; I544-T656 VanDerWaalsContact O-CA 3.23Å; I544-T656 WeakPolarHBondContact O-CA 3.18Å; I544-C657 VanDerWaalsContact C-SG 3.57Å; I544-C657 PolarHBondContact N-SG 2.87Å; I544-C657 PolarHBondContact O-N 3.37Å; I544-C657 VanDerWaalsContact O-N 3.08Å
545	D	78.8	Confident	77.4	Confident	74 Å²	74	51.6 Å²	51.6	40%	0.396	26%	0.255	S	S	.	.			trans	-60	143	175.8	-50.2	-55.8	0	0	0	110.5	D547 H548 M549	D545-D547 VanDerWaalsContact C-N 3.25Å; D545-D547 PolarHBondContact O-N 3.32Å; D545-D547 VanDerWaalsContact O-N 3.17Å; D545-H548 HydrophobicContact CB-CB 4.48Å; D545-H548 PolarHBondContact O-N 2Å; D545-H548 IonicContact OD2-CE1 3.79Å; D545-H548 IonicContact OD2-ND1 3.97Å; D545-H548 PolarHBondContact OD2-ND1 3.3Å; D545-M549 PolarHBondContact O-N 2.79Å
546	R	75.4	Confident	77.9	Confident	65 Å²	65	51.6 Å²	51.6	25%	0.245	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-39.9	-174.9	-174.6	169.3	-62	151.5	6.4	113.8	H548 M549 T656 E658 D659 V677	R546-H548 VanDerWaalsContact C-N 3.27Å; R546-H548 PolarHBondContact O-N 3.02Å; R546-M549 WeakPolarHBondContact O-CB 3.39Å; R546-M549 PolarHBondContact O-N 3Å; R546-T656 HydrophobicContact CB-CG2 4.24Å; R546-T656 HydrophobicContact CG-CG2 4.44Å; R546-T656 PolarHBondContact NH2-OG1 2.92Å; R546-T656 VanDerWaalsContact NH2-OG1 3.1Å; R546-E658 WeakPolarHBondContact CB-OE1 3.18Å; R546-E658 PolarHBondContact N-OE1 3.13Å; R546-E658 PolarHBondContact N-OE2 3.31Å; R546-D659 IonicContact NH2-OD1 3.83Å; R546-V677 PolarHBondContact NH1-O 3.46Å; R546-V677 PolarHBondContact NH2-O 3.49Å
547	D	71.7	Confident	78.8	Confident	141 Å²	141	53 Å²	53	75%	0.754	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-22.8	-179.8	-70.6	-20.7	0	0	0	113	D545	D545-D547 VanDerWaalsContact C-N 3.25Å; D545-D547 PolarHBondContact O-N 3.32Å; D545-D547 VanDerWaalsContact O-N 3.17Å
548	H	77.2	Confident	79.9	Confident	110 Å²	110	52.7 Å²	52.7	51%	0.509	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-23.4	175.1	-61.9	143.3	0	0	0	112.9	I544 D545 R546 L550 N551 I552	I544-H548 HydrophobicContact CG2-CB 3.97Å; D545-H548 HydrophobicContact CB-CB 4.48Å; D545-H548 PolarHBondContact O-N 2Å; D545-H548 IonicContact OD2-CE1 3.79Å; D545-H548 IonicContact OD2-ND1 3.97Å; D545-H548 PolarHBondContact OD2-ND1 3.3Å; R546-H548 VanDerWaalsContact C-N 3.27Å; R546-H548 PolarHBondContact O-N 3.02Å; H548-L550 VanDerWaalsContact C-N 3.26Å; H548-L550 PolarHBondContact O-N 3.41Å; H548-L550 VanDerWaalsContact O-N 3.09Å; H548-N551 PolarHBondContact O-N 2.88Å; H548-I552 WeakPolarHBondContact O-CB 3.29Å; H548-I552 WeakPolarHBondContact O-CG2 3.49Å; H548-I552 PolarHBondContact O-N 3.02Å
549	M	79.7	Confident	80.5	Confident	10 Å²	10	54.9 Å²	54.9	5%	0.049	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-37.5	-171.4	-168.5	65.3	79.6	0	0	114.4	I544 D545 R546 N613 K636 G637 F654 T656	I544-M549 HydrophobicContact CB-CE 3.73Å; I544-M549 HydrophobicContact CB-SD 3.91Å; I544-M549 HydrophobicContact CD1-SD 3.97Å; I544-M549 HydrophobicContact CG2-CB 4.36Å; I544-M549 HydrophobicContact CG2-CE 4.31Å; I544-M549 HydrophobicContact CG2-SD 4.12Å; D545-M549 PolarHBondContact O-N 2.79Å; R546-M549 WeakPolarHBondContact O-CB 3.39Å; R546-M549 PolarHBondContact O-N 3Å; M549-N613 PolarHBondContact O-ND2 2.93Å; M549-K636 WeakPolarHBondContact CG-O 3.17Å; M549-K636 VanDerWaalsContact SD-O 3.32Å; M549-G637 WeakPolarHBondContact O-CA 3.33Å; M549-F654 HydrophobicContact CE-CB 4.16Å; M549-F654 HydrophobicContact SD-CB 4.31Å; M549-T656 HydrophobicContact CE-CG2 3.71Å
550	L	77	Confident	81.5	Confident	58 Å²	58	57.9 Å²	57.9	30%	0.304	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-34.4	-179	-64.4	178.2	0	0	0	113.5	H548 N613 L615 L635	H548-L550 VanDerWaalsContact C-N 3.26Å; H548-L550 PolarHBondContact O-N 3.41Å; H548-L550 VanDerWaalsContact O-N 3.09Å; L550-N613 PolarHBondContact O-ND2 2.78Å; L550-L615 HydrophobicContact CB-CD2 3.95Å; L550-L615 HydrophobicContact CD2-CD2 3.84Å; L550-L615 HydrophobicContact CG-CD2 4.42Å; L550-L635 HydrophobicContact CD2-CB 4.15Å; L550-L635 VanDerWaalsContact CD2-O 3.28Å; L550-L635 WeakPolarHBondContact CD2-O 3.26Å
551	N	75.5	Confident	82.6	Confident	108 Å²	108	54.3 Å²	54.3	58%	0.578	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-5	-166.7	-58.1	-32.8	0	0	0	113.5	H548 E553	H548-N551 PolarHBondContact O-N 2.88Å; N551-E553 PolarHBondContact O-N 3.26Å
552	I	77.4	Confident	83	Confident	25 Å²	25	53.3 Å²	53.3	13%	0.128	26%	0.264	C	S	.	.			trans	-69.6	117.4	-179.6	-170.6	174.2	0	0	0	111.9	L541 I544 H548 Y554 N613 P638	L541-I552 HydrophobicContact CD2-CD1 3.85Å; I544-I552 HydrophobicContact CD1-CD1 3.91Å; I544-I552 HydrophobicContact CD1-CG2 4.08Å; I544-I552 HydrophobicContact CG1-CD1 3.98Å; I544-I552 HydrophobicContact CG2-CD1 4.01Å; I544-I552 HydrophobicContact CG2-CG2 4.25Å; H548-I552 WeakPolarHBondContact O-CB 3.29Å; H548-I552 WeakPolarHBondContact O-CG2 3.49Å; H548-I552 PolarHBondContact O-N 3.02Å; I552-Y554 VanDerWaalsContact C-N 3.25Å; I552-Y554 PolarHBondContact O-N 3.03Å; I552-N613 WeakPolarHBondContact O-CB 3.18Å; I552-N613 PolarHBondContact O-ND2 3.35Å; I552-P638 HydrophobicContact CG2-CG 3.93Å
553	E	80.5	Confident	83.2	Confident	66 Å²	66	52.5 Å²	52.5	31%	0.308	26%	0.257	S	S	.	.			trans	-81.2	72.7	169.7	-72.3	-178.5	-169.7	0	0	109.9	P484 H538 N551 N555 T616	P484-E553 HydrophobicContact CB-CB 4.35Å; P484-E553 WeakPolarHBondContact CB-OE2 3.38Å; P484-E553 HydrophobicContact CG-CB 3.46Å; P484-E553 VanDerWaalsContact CG-CB 3.46Å; P484-E553 HydrophobicContact CG-CG 4.45Å; P484-E553 WeakPolarHBondContact CG-OE2 3.09Å; H538-E553 PolarHBondContact CE1-O 3.43Å; N551-E553 PolarHBondContact O-N 3.26Å; E553-N555 PolarHBondContact O-N 2.88Å; E553-T616 HydrophobicContact CG-CG2 3.76Å
554	Y	84	Confident	83.5	Confident	5 Å²	5	53.4 Å²	53.4	2%	0.02	27%	0.271	C	S	.	.			trans	-63.2	120.4	-175.2	-178.2	-99.4	0	0	0	112.3	H538 L541 I552 G556 K558 C611 P638 F654	H538-Y554 HydrophobicContact CB-CD2 3.86Å; H538-Y554 HydrophobicContact CB-CE2 3.63Å; H538-Y554 AromaticContact CD2-CD2 3.99Å; H538-Y554 AromaticContact CG-CD2 3.82Å; H538-Y554 WeakPolarHBondContact O-CE2 3.4Å; H538-Y554 PolarHBondContact O-OH 2.8Å; L541-Y554 HydrophobicContact CB-CE2 4.23Å; L541-Y554 HydrophobicContact CD2-CD2 3.76Å; L541-Y554 HydrophobicContact CD2-CE2 3.76Å; I552-Y554 VanDerWaalsContact C-N 3.25Å; I552-Y554 PolarHBondContact O-N 3.03Å; Y554-G556 VanDerWaalsContact CE1-N 3.35Å; Y554-G556 WeakPolarHBondContact OH-CA 3.14Å; Y554-K558 HydrophobicContact CE1-CB 4.12Å; Y554-K558 WeakPolarHBondContact OH-CB 3.44Å; Y554-K558 PolarHBondContact OH-N 2.94Å; Y554-K558 VanDerWaalsContact OH-N 3.15Å; Y554-C611 HydrophobicContact CD1-CB 4.39Å; Y554-C611 WeakPolarHBondContact CD1-O 3.41Å; Y554-C611 HydrophobicContact CE1-CB 4.44Å; Y554-P638 HydrophobicContact CD1-CB 4.49Å; Y554-P638 HydrophobicContact CG-CB 4.4Å; Y554-P638 HydrophobicContact CG-CG 4.22Å; Y554-F654 HydrophobicContact CD1-CE2 4.19Å; Y554-F654 HydrophobicContact CD1-CZ 4.49Å; Y554-F654 HydrophobicContact CD2-CE2 4.09Å; Y554-F654 AromaticContact CD2-CZ 3.87Å; Y554-F654 HydrophobicContact CD2-CZ 3.87Å; Y554-F654 HydrophobicContact CE1-CE2 4.09Å; Y554-F654 HydrophobicContact CE1-CZ 4.07Å; Y554-F654 HydrophobicContact CE2-CE1 4.29Å; Y554-F654 HydrophobicContact CE2-CE2 4Å; Y554-F654 AromaticContact CE2-CZ 3.39Å; Y554-F654 HydrophobicContact CE2-CZ 3.39Å; Y554-F654 HydrophobicContact CG-CE2 4.19Å; Y554-F654 HydrophobicContact CG-CZ 4.39Å; Y554-F654 AromaticContact CZ-CE2 4Å; Y554-F654 AromaticContact CZ-CZ 3.51Å
555	N	80.7	Confident	84	Confident	5 Å²	5	56.5 Å²	56.5	3%	0.027	29%	0.285	C	S	.	.			trans	-131.8	62	173	-179.9	20.3	0	0	0	110.2	R503 I518 Y533 Y534 A535 H538 E553	R503-N555 PolarHBondContact NH1-OD1 3.24Å; I518-N555 HydrophobicContact CG2-CB 4.31Å; I518-N555 PolarHBondContact O-ND2 2.88Å; Y533-N555 PolarHBondContact O-ND2 3.12Å; Y533-N555 VanDerWaalsContact O-ND2 3.14Å; Y534-N555 CarbonylContact C-O 3.55Å; Y534-N555 WeakPolarHBondContact CA-O 3.48Å; A535-N555 HydrophobicContact CB-CB 4.19Å; A535-N555 PolarHBondContact N-O 3.41Å; H538-N555 PolarHBondContact ND1-N 2.72Å; H538-N555 VanDerWaalsContact ND1-N 3.16Å; E553-N555 PolarHBondContact O-N 2.88Å
556	G	83.4	Confident	84.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-118.8	-178.7	173.4	0	0	0	0	0	112.7	Y554 K558 Q610	Y554-G556 VanDerWaalsContact CE1-N 3.35Å; Y554-G556 WeakPolarHBondContact OH-CA 3.14Å; G556-K558 VanDerWaalsContact C-N 3.3Å; G556-K558 PolarHBondContact O-N 2.79Å; G556-Q610 WeakPolarHBondContact O-CB 3.35Å; G556-Q610 WeakPolarHBondContact O-CG 3.43Å
557	P	87.7	Confident	85.7	Confident	44 Å²	44	55.3 Å²	55.3	29%	0.286	29%	0.285	S	S	.	.	S	Bend	trans	-77	-9	-172.1	31	-36.7	0	0	0	114.5	Y534 R539 N559	Y534-P557 HydrophobicContact CD1-CB 4.48Å; Y534-P557 HydrophobicContact CD2-CB 4.5Å; Y534-P557 VanDerWaalsContact CE1-CA 3.46Å; Y534-P557 HydrophobicContact CE1-CB 3.95Å; Y534-P557 HydrophobicContact CE2-CB 3.98Å; R539-P557 HydrophobicContact CG-CG 4.43Å; R539-P557 WeakPolarHBondContact O-CD 3.45Å; R539-P557 WeakPolarHBondContact O-CG 3.21Å; P557-N559 PolarHBondContact O-N 3.37Å; P557-N559 VanDerWaalsContact O-N 3.17Å
558	K	90.8	Very high	86.7	Confident	54 Å²	54	49.8 Å²	49.8	24%	0.235	26%	0.255	C	S	.	.			trans	-63	119.9	-171.2	-162.5	174.4	-157.5	177.2	0	111.1	F542 Y554 G556 Q610 C611 C653 F654	F542-K558 PolarHBondContact O-NZ 2.77Å; F542-K558 VanDerWaalsContact O-NZ 3.11Å; Y554-K558 HydrophobicContact CE1-CB 4.12Å; Y554-K558 WeakPolarHBondContact OH-CB 3.44Å; Y554-K558 PolarHBondContact OH-N 2.94Å; Y554-K558 VanDerWaalsContact OH-N 3.15Å; G556-K558 VanDerWaalsContact C-N 3.3Å; G556-K558 PolarHBondContact O-N 2.79Å; K558-Q610 CarbonylContact O-C 3.59Å; K558-Q610 VanDerWaalsContact O-CA 3.25Å; K558-Q610 WeakPolarHBondContact O-CA 3.41Å; K558-C611 PolarHBondContact O-N 2.69Å; K558-C611 PolarHBondContact O-SG 3.45Å; K558-C653 HydrophobicContact CD-CB 4.41Å; K558-C653 WeakPolarHBondContact CD-O 3.35Å; K558-C653 WeakPolarHBondContact CE-O 3.43Å; K558-C653 PolarHBondContact NZ-O 2.86Å; K558-F654 HydrophobicContact CB-CZ 4.11Å; K558-F654 HydrophobicContact CD-CD1 4.22Å; K558-F654 HydrophobicContact CD-CD2 4.31Å; K558-F654 HydrophobicContact CD-CE1 3.6Å; K558-F654 HydrophobicContact CD-CE2 3.69Å; K558-F654 HydrophobicContact CD-CZ 3.28Å; K558-F654 HydrophobicContact CG-CZ 4.32Å
559	N	93.6	Very high	87.5	Confident	57 Å²	57	46.1 Å²	46.1	31%	0.305	24%	0.241	S	C	.	.			trans	-133.1	26.1	-175.9	66.1	-13.6	0	0	0	112.1	P557 C567 N609	P557-N559 PolarHBondContact O-N 3.37Å; P557-N559 VanDerWaalsContact O-N 3.17Å; N559-C567 VanDerWaalsContact O-CB 3.29Å; N559-C567 WeakPolarHBondContact O-CB 3.17Å; N559-C567 PolarHBondContact O-N 2.82Å; N559-C567 PolarHBondContact O-SG 3.43Å; N559-N609 WeakPolarHBondContact CB-O 3.3Å
560	K	94.1	Very high	88	Confident	90 Å²	90	45.7 Å²	45.7	39%	0.391	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-131.9	146.4	173.3	-72.1	-179.4	177	-77.6	0	110.2	E565 D566	K560-E565 VanDerWaalsContact CA-O 3.29Å; K560-E565 WeakPolarHBondContact CA-O 2.85Å; K560-D566 VanDerWaalsContact CE-OD1 3.27Å; K560-D566 WeakPolarHBondContact CE-OD1 3.49Å; K560-D566 WeakPolarHBondContact CG-OD1 2.89Å; K560-D566 VanDerWaalsContact NZ-CG 3.33Å; K560-D566 IonicContact NZ-OD1 3.83Å; K560-D566 PolarHBondContact NZ-OD1 3.16Å; K560-D566 IonicContact NZ-OD2 3Å; K560-D566 PolarHBondContact NZ-OD2 2.84Å
561	T	93.4	Very high	88.6	Confident	7 Å²	7	44.5 Å²	44.5	4%	0.043	24%	0.236	C	C	.	.			trans	-76.3	168.1	175.9	78.1	0	0	0	0	110.9	Y563 G564 E565 V642 Q651	T561-Y563 PolarHBondContact O-N 2.91Å; T561-Y563 VanDerWaalsContact O-N 3.09Å; T561-Y563 PolarHBondContact OG1-N 3.25Å; T561-G564 PolarHBondContact O-N 3.49Å; T561-E565 HydrophobicContact CG2-CB 4.2Å; T561-E565 PolarHBondContact N-O 3.26Å; T561-E565 PolarHBondContact OG1-N 2.64Å; T561-V642 HydrophobicContact CG2-CG1 3.43Å; T561-V642 VanDerWaalsContact CG2-CG1 3.43Å; T561-Q651 HydrophobicContact CG2-CB 3.51Å; T561-Q651 HydrophobicContact CG2-CG 4.43Å; T561-Q651 PolarHBondContact OG1-OE1 2.79Å
562	I	89.4	Confident	89.3	Confident	24 Å²	24	43.1 Å²	43.1	12%	0.123	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-2.2	174.2	60.8	-159.6	0	0	0	115	P652 C653 F654 R655 F681	I562-P652 HydrophobicContact CD1-CB 3.9Å; I562-P652 HydrophobicContact CD1-CG 3.47Å; I562-P652 VanDerWaalsContact CD1-CG 3.47Å; I562-P652 HydrophobicContact CG1-CG 4.11Å; I562-P652 WeakPolarHBondContact CG1-O 3.5Å; I562-P652 PolarHBondContact N-O 3.27Å; I562-C653 VanDerWaalsContact CG2-O 3.31Å; I562-C653 WeakPolarHBondContact CG2-O 3.46Å; I562-F654 VanDerWaalsContact CG2-C 3.49Å; I562-R655 HydrophobicContact CB-CG 4.29Å; I562-R655 HydrophobicContact CD1-CG 4.45Å; I562-R655 HydrophobicContact CG2-CG 3.93Å; I562-R655 PolarHBondContact O-NH2 3.15Å; I562-F681 HydrophobicContact CB-CE2 4.31Å; I562-F681 HydrophobicContact CD1-CE1 4.28Å; I562-F681 HydrophobicContact CD1-CE2 3.57Å; I562-F681 HydrophobicContact CD1-CZ 3.23Å; I562-F681 HydrophobicContact CG1-CE1 4.29Å; I562-F681 HydrophobicContact CG1-CE2 3.82Å; I562-F681 HydrophobicContact CG1-CZ 3.55Å
563	Y	88.2	Confident	89.9	Confident	130 Å²	130	41.9 Å²	41.9	51%	0.51	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-4.6	169.4	-52	-80.6	0	0	0	112.9	T561 Q651 F681	T561-Y563 PolarHBondContact O-N 2.91Å; T561-Y563 VanDerWaalsContact O-N 3.09Å; T561-Y563 PolarHBondContact OG1-N 3.25Å; Y563-Q651 HydrophobicContact CD2-CG 4.41Å; Y563-Q651 VanDerWaalsContact CD2-OE1 3.28Å; Y563-Q651 HydrophobicContact CE2-CG 4.37Å; Y563-F681 HydrophobicContact CD1-CD1 4.26Å; Y563-F681 HydrophobicContact CD1-CE1 4.32Å; Y563-F681 AromaticContact CE1-CD1 3.53Å; Y563-F681 HydrophobicContact CE1-CD1 3.53Å; Y563-F681 AromaticContact CE1-CE1 3.41Å; Y563-F681 HydrophobicContact CE1-CE1 3.41Å; Y563-F681 VanDerWaalsContact CE1-CE1 3.41Å; Y563-F681 HydrophobicContact CE1-CZ 4.46Å; Y563-F681 HydrophobicContact CE2-CE1 4.47Å; Y563-F681 AromaticContact CZ-CE1 3.53Å; Y563-F681 WeakPolarHBondContact OH-CE1 3.4Å
564	G	91.2	Very high	90.3	Very high	44 Å²	44	38.9 Å²	38.9	45%	0.454	21%	0.206	S	C	.	.			trans	89.3	-1	-179.6	0	0	0	0	0	115.4	T561	T561-G564 PolarHBondContact O-N 3.49Å
565	E	93.8	Very high	90.5	Very high	69 Å²	69	41.8 Å²	41.8	32%	0.322	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-67.8	141.4	177.5	-58.7	-70.3	173	0	0	111.1	K560 T561 V642 F644	K560-E565 VanDerWaalsContact CA-O 3.29Å; K560-E565 WeakPolarHBondContact CA-O 2.85Å; T561-E565 HydrophobicContact CG2-CB 4.2Å; T561-E565 PolarHBondContact N-O 3.26Å; T561-E565 PolarHBondContact OG1-N 2.64Å; E565-V642 HydrophobicContact CB-CB 4.18Å; E565-V642 HydrophobicContact CB-CG1 3.79Å; E565-V642 HydrophobicContact CB-CG2 4.38Å; E565-F644 WeakPolarHBondContact OE1-CD2 3.13Å; E565-F644 WeakPolarHBondContact OE1-CE2 3.06Å
566	D	94.7	Very high	90.9	Very high	101 Å²	101	43.2 Å²	43.2	54%	0.54	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-79.4	131.2	179.9	-74.7	-50.8	0	0	0	112.2	K560	K560-D566 VanDerWaalsContact CE-OD1 3.27Å; K560-D566 WeakPolarHBondContact CE-OD1 3.49Å; K560-D566 WeakPolarHBondContact CG-OD1 2.89Å; K560-D566 VanDerWaalsContact NZ-CG 3.33Å; K560-D566 IonicContact NZ-OD1 3.83Å; K560-D566 PolarHBondContact NZ-OD1 3.16Å; K560-D566 IonicContact NZ-OD2 3Å; K560-D566 PolarHBondContact NZ-OD2 2.84Å
567	C	95.7	Very high	91	Very high	14 Å²	14	43.3 Å²	43.3	10%	0.095	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-70.1	130.4	-179.5	-64.5	0	0	0	0	112.5	N559 N609 C640	N559-C567 VanDerWaalsContact O-CB 3.29Å; N559-C567 WeakPolarHBondContact O-CB 3.17Å; N559-C567 PolarHBondContact O-N 2.82Å; N559-C567 PolarHBondContact O-SG 3.43Å; C567-N609 WeakPolarHBondContact CB-O 3.29Å; C567-C640 VanDerWaalsContact CA-SG 3.54Å; C567-C640 HydrophobicContact CB-CB 3.54Å; C567-C640 WeakPolarHBondContact CB-SG 3.39Å; C567-C640 WeakPolarHBondContact SG-CB 3.46Å; C567-C640 CovalentContact SG-SG 2.02Å; C567-C640 PolarHBondContact SG-SG 3.22Å
568	I	93.6	Very high	90.9	Very high	25 Å²	25	47.6 Å²	47.6	13%	0.128	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-65.8	139.2	167.7	-56.9	166.1	0	0	0	108.8	W570 H572 M573 F641 N643 I648	I568-W570 PolarHBondContact O-N 3.08Å; I568-H572 HydrophobicContact CG2-CB 4Å; I568-M573 HydrophobicContact CB-CG 4.32Å; I568-M573 HydrophobicContact CB-SD 3.7Å; I568-M573 HydrophobicContact CD1-SD 3.72Å; I568-M573 HydrophobicContact CG1-SD 4.33Å; I568-M573 HydrophobicContact CG2-CG 4.07Å; I568-M573 HydrophobicContact CG2-SD 3.49Å; I568-M573 WeakPolarHBondContact CG2-SD 3.4Å; I568-F641 WeakPolarHBondContact CB-O 3.39Å; I568-F641 HydrophobicContact CD1-CB 4.39Å; I568-F641 WeakPolarHBondContact CG1-O 3.37Å; I568-F641 PolarHBondContact N-O 3.18Å; I568-N643 HydrophobicContact CD1-CB 4.14Å; I568-I648 HydrophobicContact CD1-CG2 4.43Å
569	S	92.2	Very high	90.7	Very high	32 Å²	32	51.3 Å²	51.3	22%	0.224	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-59	132	172.1	-176.9	0	0	0	0	111.4	S571 H572 M573 H608	S569-S571 PolarHBondContact O-N 3.08Å; S569-S571 PolarHBondContact OG-OG 3.1Å; S569-H572 WeakPolarHBondContact O-CA 3.1Å; S569-H572 WeakPolarHBondContact O-CB 3.32Å; S569-H572 PolarHBondContact O-N 2.84Å; S569-M573 PolarHBondContact O-N 2.78Å; S569-H608 CarbonylContact C-O 3.58Å; S569-H608 VanDerWaalsContact CA-O 3.31Å; S569-H608 WeakPolarHBondContact CA-O 3.26Å; S569-H608 PolarHBondContact OG-O 3.05Å; S569-H608 VanDerWaalsContact OG-O 3.13Å
570	W	91.4	Very high	90.2	Very high	1 Å²	1	51.1 Å²	51.1	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-30.4	177.4	-68.3	96.5	0	0	0	112.8	I568 H572 M573 M574 F590 F602 H608 Q610 L612 I614 I639 C640 F641	I568-W570 PolarHBondContact O-N 3.08Å; W570-H572 VanDerWaalsContact C-N 3.33Å; W570-H572 PolarHBondContact O-N 3.1Å; W570-M573 WeakPolarHBondContact O-CB 3.32Å; W570-M573 PolarHBondContact O-N 2.04Å; W570-M574 VanDerWaalsContact O-CG 3.26Å; W570-M574 WeakPolarHBondContact O-CG 3.22Å; W570-M574 PolarHBondContact O-N 3.26Å; W570-F590 HydrophobicContact CE3-CE1 4.37Å; W570-F590 HydrophobicContact CZ3-CE1 4.05Å; W570-F590 HydrophobicContact CZ3-CZ 4.22Å; W570-F602 HydrophobicContact CB-CD1 4.15Å; W570-F602 HydrophobicContact CB-CE1 3.26Å; W570-F602 HydrophobicContact CB-CE2 4.01Å; W570-F602 HydrophobicContact CB-CZ 3.18Å; W570-F602 HydrophobicContact CD2-CZ 4.46Å; W570-F602 HydrophobicContact CG-CE1 4.24Å; W570-F602 HydrophobicContact CG-CE2 4.43Å; W570-F602 AromaticContact CG-CZ 3.71Å; W570-F602 HydrophobicContact CG-CZ 3.71Å; W570-H608 HydrophobicContact CB-CB 4.47Å; W570-H608 AromaticContact CD1-CG 3.96Å; W570-H608 AromaticContact CD1-ND1 3.35Å; W570-H608 VanDerWaalsContact CD1-ND1 3.35Å; W570-H608 VanDerWaalsContact CD1-O 3.26Å; W570-H608 PolarHBondContact N-O 2.72Å; W570-H608 AromaticContact NE1-ND1 3.68Å; W570-Q610 PolarHBondContact NE1-O 3.41Å; W570-L612 HydrophobicContact CD2-CD2 4.21Å; W570-L612 HydrophobicContact CE3-CD2 4.49Å; W570-L612 HydrophobicContact CH2-CB 4.13Å; W570-L612 HydrophobicContact CZ2-CB 3.42Å; W570-L612 VanDerWaalsContact CZ2-CB 3.42Å; W570-L612 HydrophobicContact CZ2-CD2 4.23Å; W570-L612 HydrophobicContact CZ2-CG 4.47Å; W570-I614 HydrophobicContact CH2-CD1 3.77Å; W570-I614 HydrophobicContact CH2-CG1 4Å; W570-I614 HydrophobicContact CZ3-CD1 3.84Å; W570-I614 HydrophobicContact CZ3-CG1 4.33Å; W570-I639 HydrophobicContact CH2-CG1 4.33Å; W570-C640 HydrophobicContact CZ2-CB 4.49Å; W570-F641 AromaticContact CH2-CD2 3.93Å; W570-F641 HydrophobicContact CH2-CD2 3.93Å; W570-F641 AromaticContact CH2-CE2 3.91Å; W570-F641 HydrophobicContact CH2-CE2 3.91Å; W570-F641 AromaticContact CZ3-CD2 3.85Å; W570-F641 HydrophobicContact CZ3-CD2 3.85Å; W570-F641 AromaticContact CZ3-CE2 3.73Å; W570-F641 HydrophobicContact CZ3-CE2 3.73Å
571	S	88.5	Confident	89.6	Confident	34 Å²	34	51.9 Å²	51.9	24%	0.238	27%	0.267	C	S	.	.	H	α-helix	trans	-54.7	-49	170.1	52.7	0	0	0	0	111.8	S569 M573 M574 D575 M606	S569-S571 PolarHBondContact O-N 3.08Å; S569-S571 PolarHBondContact OG-OG 3.1Å; S571-M573 VanDerWaalsContact C-N 3.34Å; S571-M573 PolarHBondContact O-N 3.28Å; S571-M574 PolarHBondContact O-N 3.13Å; S571-D575 PolarHBondContact O-N 3.42Å; S571-M606 WeakPolarHBondContact CB-O 3.49Å
572	H	90	Very high	88.9	Confident	78 Å²	78	52.7 Å²	52.7	36%	0.361	27%	0.27	S	S	.	.	H	α-helix	trans	-66.8	-35.6	177.6	-167.2	-164	0	0	0	111.8	I568 S569 W570 D575 Y576	I568-H572 HydrophobicContact CG2-CB 4Å; S569-H572 WeakPolarHBondContact O-CA 3.1Å; S569-H572 WeakPolarHBondContact O-CB 3.32Å; S569-H572 PolarHBondContact O-N 2.84Å; W570-H572 VanDerWaalsContact C-N 3.33Å; W570-H572 PolarHBondContact O-N 3.1Å; H572-D575 PolarHBondContact O-N 2.91Å; H572-Y576 AromaticContact CD2-CD2 3.95Å; H572-Y576 AromaticContact CD2-CE2 3.56Å; H572-Y576 AromaticContact CE1-CE2 3.4Å; H572-Y576 WeakPolarHBondContact CE1-CE2 3.33Å; H572-Y576 AromaticContact CE1-CZ 3.51Å; H572-Y576 PolarHBondContact CE1-OH 3.03Å; H572-Y576 AromaticContact CG-CE2 3.74Å; H572-Y576 AromaticContact ND1-CE2 3.64Å; H572-Y576 AromaticContact NE2-CE2 3.35Å; H572-Y576 VanDerWaalsContact NE2-CE2 3.35Å; H572-Y576 WeakPolarHBondContact NE2-CE2 3.37Å; H572-Y576 AromaticContact NE2-CZ 3.35Å; H572-Y576 PolarHBondContact NE2-OH 3.45Å; H572-Y576 WeakPolarHBondContact O-CD2 3.45Å; H572-Y576 PolarHBondContact O-N 3.48Å
573	M	90.1	Very high	88.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-41.8	172.4	-60.6	-50.8	-56.4	0	0	112.6	I568 S569 W570 S571 D575 Y576 A577 M582 F641 I648	I568-M573 HydrophobicContact CB-CG 4.32Å; I568-M573 HydrophobicContact CB-SD 3.7Å; I568-M573 HydrophobicContact CD1-SD 3.72Å; I568-M573 HydrophobicContact CG1-SD 4.33Å; I568-M573 HydrophobicContact CG2-CG 4.07Å; I568-M573 HydrophobicContact CG2-SD 3.49Å; I568-M573 WeakPolarHBondContact CG2-SD 3.4Å; S569-M573 PolarHBondContact O-N 2.78Å; W570-M573 WeakPolarHBondContact O-CB 3.32Å; W570-M573 PolarHBondContact O-N 2.04Å; S571-M573 VanDerWaalsContact C-N 3.34Å; S571-M573 PolarHBondContact O-N 3.28Å; M573-D575 VanDerWaalsContact C-N 3.29Å; M573-D575 PolarHBondContact O-N 3.18Å; M573-Y576 PolarHBondContact O-N 3.43Å; M573-Y576 HydrophobicContact SD-CD2 4.23Å; M573-A577 PolarHBondContact O-N 3.44Å; M573-M582 HydrophobicContact CB-CE 4.17Å; M573-M582 HydrophobicContact CE-CE 3.32Å; M573-M582 HydrophobicContact CE-SD 4.31Å; M573-M582 WeakPolarHBondContact O-CE 3.48Å; M573-F641 HydrophobicContact CE-CB 3.34Å; M573-F641 HydrophobicContact CE-CD1 3.39Å; M573-F641 HydrophobicContact CE-CD2 3.92Å; M573-F641 HydrophobicContact CE-CE1 4.11Å; M573-F641 HydrophobicContact CE-CG 3.25Å; M573-F641 HydrophobicContact CG-CB 4.06Å; M573-F641 HydrophobicContact CG-CD2 4.38Å; M573-F641 HydrophobicContact CG-CG 4.36Å; M573-F641 HydrophobicContact SD-CB 3.5Å; M573-F641 WeakPolarHBondContact SD-CB 3.2Å; M573-F641 HydrophobicContact SD-CG 4.05Å; M573-I648 HydrophobicContact CE-CG2 3.3Å; M573-I648 HydrophobicContact SD-CG2 4.18Å
574	M	89.2	Confident	87.1	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-66.9	-32.4	175.2	-65.2	-63.7	-62.8	0	0	111.6	W570 S571 A577 R578 F590 P599 F602	W570-M574 VanDerWaalsContact O-CG 3.26Å; W570-M574 WeakPolarHBondContact O-CG 3.22Å; W570-M574 PolarHBondContact O-N 3.26Å; S571-M574 PolarHBondContact O-N 3.13Å; M574-A577 WeakPolarHBondContact O-CB 3.46Å; M574-A577 PolarHBondContact O-N 2.89Å; M574-R578 WeakPolarHBondContact O-CB 3.37Å; M574-R578 WeakPolarHBondContact O-CG 3.35Å; M574-R578 PolarHBondContact O-N 2.85Å; M574-F590 HydrophobicContact CE-CB 4.39Å; M574-F590 WeakPolarHBondContact CE-O 3.23Å; M574-F590 HydrophobicContact SD-CB 4.04Å; M574-F590 HydrophobicContact SD-CD1 3.5Å; M574-F590 VanDerWaalsContact SD-CD1 3.5Å; M574-F590 HydrophobicContact SD-CE1 4.3Å; M574-F590 HydrophobicContact SD-CG 4.08Å; M574-P599 HydrophobicContact CE-CB 4.37Å; M574-F602 HydrophobicContact CB-CB 4.45Å; M574-F602 HydrophobicContact CE-CB 4.17Å; M574-F602 HydrophobicContact CG-CB 3.62Å; M574-F602 HydrophobicContact CG-CD1 4.37Å; M574-F602 HydrophobicContact CG-CD2 4.25Å; M574-F602 HydrophobicContact CG-CG 3.84Å; M574-F602 HydrophobicContact SD-CB 4.33Å
575	D	88.8	Confident	86.3	Confident	66 Å²	66	51 Å²	51	35%	0.353	26%	0.256	S	S	.	.	H	α-helix	trans	-73.5	-33.3	174	-66	-25.8	0	0	0	113.1	S571 H572 M573 A577 R578 R579	S571-D575 PolarHBondContact O-N 3.42Å; H572-D575 PolarHBondContact O-N 2.91Å; M573-D575 VanDerWaalsContact C-N 3.29Å; M573-D575 PolarHBondContact O-N 3.18Å; D575-A577 VanDerWaalsContact C-N 3.35Å; D575-R578 IonicContact OD1-CZ 2.74Å; D575-R578 IonicContact OD1-NH1 3.33Å; D575-R578 PolarHBondContact OD1-NH1 3.45Å; D575-R579 WeakPolarHBondContact O-CB 3.48Å; D575-R579 VanDerWaalsContact O-CG 3.31Å; D575-R579 WeakPolarHBondContact O-CG 3.4Å; D575-R579 PolarHBondContact O-N 2.72Å; D575-R579 VanDerWaalsContact O-N 3.09Å; D575-R579 PolarHBondContact O-NE 2.86Å
576	Y	88.2	Confident	85.7	Confident	35 Å²	35	48.2 Å²	48.2	14%	0.137	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-42.3	166.1	-74.6	-62.8	0	0	0	111.3	H572 M573 R579 G580 E581 I648	H572-Y576 AromaticContact CD2-CD2 3.95Å; H572-Y576 AromaticContact CD2-CE2 3.56Å; H572-Y576 AromaticContact CE1-CE2 3.4Å; H572-Y576 WeakPolarHBondContact CE1-CE2 3.33Å; H572-Y576 AromaticContact CE1-CZ 3.51Å; H572-Y576 PolarHBondContact CE1-OH 3.03Å; H572-Y576 AromaticContact CG-CE2 3.74Å; H572-Y576 AromaticContact ND1-CE2 3.64Å; H572-Y576 AromaticContact NE2-CE2 3.35Å; H572-Y576 VanDerWaalsContact NE2-CE2 3.35Å; H572-Y576 WeakPolarHBondContact NE2-CE2 3.37Å; H572-Y576 AromaticContact NE2-CZ 3.35Å; H572-Y576 PolarHBondContact NE2-OH 3.45Å; H572-Y576 WeakPolarHBondContact O-CD2 3.45Å; H572-Y576 PolarHBondContact O-N 3.48Å; M573-Y576 PolarHBondContact O-N 3.43Å; M573-Y576 HydrophobicContact SD-CD2 4.23Å; Y576-R579 VanDerWaalsContact CD1-NH2 3.26Å; Y576-R579 PolarHBondContact O-N 3Å; Y576-G580 PolarHBondContact O-N 3.3Å; Y576-E581 HydrophobicContact CD1-CB 4.13Å; Y576-E581 VanDerWaalsContact CD1-OE2 3.22Å; Y576-E581 WeakPolarHBondContact CD1-OE2 3.5Å; Y576-E581 WeakPolarHBondContact CE1-OE2 3.49Å; Y576-E581 PolarHBondContact O-N 3.28Å; Y576-I648 HydrophobicContact CD1-CD1 3.65Å; Y576-I648 HydrophobicContact CD2-CD1 3.65Å; Y576-I648 HydrophobicContact CE1-CD1 3.56Å; Y576-I648 HydrophobicContact CE2-CD1 3.55Å; Y576-I648 HydrophobicContact CG-CD1 3.7Å
577	A	86.7	Confident	85	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-47.4	175.5	0	0	0	0	0	112.1	M573 M574 D575 R579 G580 M582 F590 Q591	M573-A577 PolarHBondContact O-N 3.44Å; M574-A577 WeakPolarHBondContact O-CB 3.46Å; M574-A577 PolarHBondContact O-N 2.89Å; D575-A577 VanDerWaalsContact C-N 3.35Å; A577-R579 VanDerWaalsContact C-N 3.31Å; A577-R579 PolarHBondContact O-N 3.17Å; A577-G580 PolarHBondContact O-N 3.4Å; A577-M582 VanDerWaalsContact CA-CG 3.44Å; A577-M582 HydrophobicContact CB-CE 4.3Å; A577-M582 HydrophobicContact CB-CG 3.75Å; A577-F590 HydrophobicContact CB-CB 3.5Å; A577-F590 VanDerWaalsContact CB-CB 3.5Å; A577-F590 HydrophobicContact CB-CD2 4.09Å; A577-F590 HydrophobicContact CB-CG 4.05Å; A577-Q591 PolarHBondContact O-NE2 3.27Å
578	R	85.9	Confident	84.2	Confident	134 Å²	134	50.3 Å²	50.3	51%	0.506	24%	0.244	S	C	.	.	H	α-helix	trans	-60.4	-37.1	177.9	-73.6	164.1	-177.1	147.6	0.9	112.7	M574 D575 G580 F602	M574-R578 WeakPolarHBondContact O-CB 3.37Å; M574-R578 WeakPolarHBondContact O-CG 3.35Å; M574-R578 PolarHBondContact O-N 2.85Å; D575-R578 IonicContact OD1-CZ 2.74Å; D575-R578 IonicContact OD1-NH1 3.33Å; D575-R578 PolarHBondContact OD1-NH1 3.45Å; R578-G580 PolarHBondContact O-N 3.09Å; R578-F602 PolarHBondContact NH2-O 3.07Å
579	R	87	Confident	83.8	Confident	132 Å²	132	49.1 Å²	49.1	50%	0.498	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-6.8	175.6	-72.5	178.6	-72.7	157.9	-12.6	114.4	D575 Y576 A577 E581	D575-R579 WeakPolarHBondContact O-CB 3.48Å; D575-R579 VanDerWaalsContact O-CG 3.31Å; D575-R579 WeakPolarHBondContact O-CG 3.4Å; D575-R579 PolarHBondContact O-N 2.72Å; D575-R579 VanDerWaalsContact O-N 3.09Å; D575-R579 PolarHBondContact O-NE 2.86Å; Y576-R579 VanDerWaalsContact CD1-NH2 3.26Å; Y576-R579 PolarHBondContact O-N 3Å; A577-R579 VanDerWaalsContact C-N 3.31Å; A577-R579 PolarHBondContact O-N 3.17Å; R579-E581 VanDerWaalsContact C-N 3.27Å; R579-E581 HydrophobicContact CB-CG 4.01Å; R579-E581 WeakPolarHBondContact CB-OE1 3.35Å; R579-E581 VanDerWaalsContact CD-OE1 3.24Å; R579-E581 WeakPolarHBondContact CD-OE1 3.41Å; R579-E581 IonicContact CZ-OE1 3.41Å; R579-E581 VanDerWaalsContact CZ-OE1 3.23Å; R579-E581 IonicContact CZ-OE2 2.96Å; R579-E581 IonicContact NE-OE1 3.81Å; R579-E581 PolarHBondContact NE-OE1 3.5Å; R579-E581 IonicContact NH1-OE1 2.62Å; R579-E581 PolarHBondContact NH1-OE1 3.23Å; R579-E581 IonicContact NH1-OE2 3.41Å; R579-E581 PolarHBondContact NH1-OE2 3.34Å; R579-E581 PolarHBondContact O-N 3.19Å
580	G	82.1	Confident	83.6	Confident	53 Å²	53	47.9 Å²	47.9	55%	0.546	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	15.9	-176.3	0	0	0	0	0	113.8	Y576 A577 R578 M582	Y576-G580 PolarHBondContact O-N 3.3Å; A577-G580 PolarHBondContact O-N 3.4Å; R578-G580 PolarHBondContact O-N 3.09Å; G580-M582 PolarHBondContact O-N 2.86Å
581	E	82.6	Confident	83.2	Confident	106 Å²	106	51.6 Å²	51.6	50%	0.495	25%	0.246	S	C	.	.			trans	-81.3	-4.2	178.7	-64.8	176	-137.1	0	0	112.4	Y576 R579	Y576-E581 HydrophobicContact CD1-CB 4.13Å; Y576-E581 VanDerWaalsContact CD1-OE2 3.22Å; Y576-E581 WeakPolarHBondContact CD1-OE2 3.5Å; Y576-E581 WeakPolarHBondContact CE1-OE2 3.49Å; Y576-E581 PolarHBondContact O-N 3.28Å; R579-E581 VanDerWaalsContact C-N 3.27Å; R579-E581 HydrophobicContact CB-CG 4.01Å; R579-E581 WeakPolarHBondContact CB-OE1 3.35Å; R579-E581 VanDerWaalsContact CD-OE1 3.24Å; R579-E581 WeakPolarHBondContact CD-OE1 3.41Å; R579-E581 IonicContact CZ-OE1 3.41Å; R579-E581 VanDerWaalsContact CZ-OE1 3.23Å; R579-E581 IonicContact CZ-OE2 2.96Å; R579-E581 IonicContact NE-OE1 3.81Å; R579-E581 PolarHBondContact NE-OE1 3.5Å; R579-E581 IonicContact NH1-OE1 2.62Å; R579-E581 PolarHBondContact NH1-OE1 3.23Å; R579-E581 IonicContact NH1-OE2 3.41Å; R579-E581 PolarHBondContact NH1-OE2 3.34Å; R579-E581 PolarHBondContact O-N 3.19Å
582	M	77.9	Confident	82.9	Confident	24 Å²	24	51.9 Å²	51.9	12%	0.118	25%	0.245	C	C	.	.	S	Bend	trans	-83.4	150.5	172.2	-71.2	-71.9	-163	0	0	112.1	M573 A577 G580 W586 F590	M573-M582 HydrophobicContact CB-CE 4.17Å; M573-M582 HydrophobicContact CE-CE 3.32Å; M573-M582 HydrophobicContact CE-SD 4.31Å; M573-M582 WeakPolarHBondContact O-CE 3.48Å; A577-M582 VanDerWaalsContact CA-CG 3.44Å; A577-M582 HydrophobicContact CB-CE 4.3Å; A577-M582 HydrophobicContact CB-CG 3.75Å; G580-M582 PolarHBondContact O-N 2.86Å; M582-W586 HydrophobicContact CB-CB 4.27Å; M582-W586 HydrophobicContact SD-CB 4.22Å; M582-F590 HydrophobicContact CE-CD2 3.66Å; M582-F590 HydrophobicContact CE-CE2 3.37Å; M582-F590 HydrophobicContact CE-CZ 4.16Å; M582-F590 HydrophobicContact CG-CD2 4.27Å; M582-F590 HydrophobicContact SD-CD2 4.23Å; M582-F590 HydrophobicContact SD-CE2 4.01Å
583	N	71.5	Confident	82.6	Confident	45 Å²	45	51.6 Å²	51.6	24%	0.241	25%	0.248	C	C	.	.			trans	-64.9	163.8	169.5	79.5	8.2	0	0	0	111.4	Q585 W586 K587	N583-Q585 PolarHBondContact ND2-OE1 3.12Å; N583-Q585 PolarHBondContact O-N 2.93Å; N583-Q585 WeakPolarHBondContact OD1-CB 3.07Å; N583-Q585 PolarHBondContact OD1-N 3.49Å; N583-Q585 VanDerWaalsContact OD1-N 3.14Å; N583-W586 PolarHBondContact O-N 3.31Å; N583-W586 WeakPolarHBondContact OD1-CB 3.09Å; N583-W586 PolarHBondContact OD1-N 3Å; N583-K587 PolarHBondContact O-N 2.03Å; N583-K587 VanDerWaalsContact O-N 3.13Å
584	H	68.9	Low	82	Confident	101 Å²	101	61 Å²	61	47%	0.468	28%	0.284	S	S	.	.	H	α-helix	trans	-60.8	-29.8	-178.8	68.9	-96.1	0	0	0	113.3	P126 K587	P126-H584 PolarHBondContact O-CE1 2.72Å; P126-H584 VanDerWaalsContact O-CE1 3.29Å; H584-K587 PolarHBondContact O-N 3.48Å
585	Q	73	Confident	81.4	Confident	18 Å²	18	61.6 Å²	61.6	8%	0.084	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-40.4	-179	-59.7	177.5	-43.4	0	0	111.8	N583 W588 G629	N583-Q585 PolarHBondContact ND2-OE1 3.12Å; N583-Q585 PolarHBondContact O-N 2.93Å; N583-Q585 WeakPolarHBondContact OD1-CB 3.07Å; N583-Q585 PolarHBondContact OD1-N 3.49Å; N583-Q585 VanDerWaalsContact OD1-N 3.14Å; Q585-W588 PolarHBondContact O-NE1 3.07Å; Q585-G629 WeakPolarHBondContact CB-O 3.02Å; Q585-G629 WeakPolarHBondContact CG-O 3.21Å; Q585-G629 PolarHBondContact NE2-O 3.38Å
586	W	81.7	Confident	81.2	Confident	9 Å²	9	58.4 Å²	58.4	3%	0.034	27%	0.272	C	S	.	.	H	α-helix	trans	-83.7	-23.8	178.7	-75.5	115.4	0	0	0	113.2	M582 N583 W588 I589 F590 I614 D631 I633 I634 I639 F641 P650	M582-W586 HydrophobicContact CB-CB 4.27Å; M582-W586 HydrophobicContact SD-CB 4.22Å; N583-W586 PolarHBondContact O-N 3.31Å; N583-W586 WeakPolarHBondContact OD1-CB 3.09Å; N583-W586 PolarHBondContact OD1-N 3Å; W586-W588 PolarHBondContact O-N 2.91Å; W586-I589 HydrophobicContact CE3-CB 4.32Å; W586-I589 HydrophobicContact CE3-CD1 3.85Å; W586-I589 HydrophobicContact CE3-CG2 4.34Å; W586-I589 HydrophobicContact CZ3-CD1 3.76Å; W586-I589 HydrophobicContact CZ3-CG2 4.31Å; W586-I589 PolarHBondContact O-N 2.8Å; W586-F590 HydrophobicContact CB-CD2 3.84Å; W586-F590 HydrophobicContact CB-CE2 3.75Å; W586-F590 AromaticContact CD2-CE2 3.92Å; W586-F590 HydrophobicContact CD2-CE2 3.92Å; W586-F590 HydrophobicContact CD2-CZ 4.45Å; W586-F590 HydrophobicContact CE3-CD2 4.3Å; W586-F590 AromaticContact CE3-CE2 3.52Å; W586-F590 HydrophobicContact CE3-CE2 3.52Å; W586-F590 AromaticContact CE3-CZ 3.74Å; W586-F590 HydrophobicContact CE3-CZ 3.74Å; W586-F590 HydrophobicContact CG-CE2 4.03Å; W586-F590 HydrophobicContact CZ3-CE2 4.4Å; W586-F590 HydrophobicContact CZ3-CZ 4.19Å; W586-F590 VanDerWaalsContact O-CD2 3.23Å; W586-F590 WeakPolarHBondContact O-CD2 3.27Å; W586-F590 PolarHBondContact O-N 2.7Å; W586-I614 HydrophobicContact CE3-CD1 4.48Å; W586-I614 HydrophobicContact CH2-CD1 3.78Å; W586-I614 HydrophobicContact CZ3-CD1 3.41Å; W586-I614 VanDerWaalsContact CZ3-CD1 3.41Å; W586-I614 HydrophobicContact CZ3-CG2 4.45Å; W586-D631 HydrophobicContact CZ2-CB 3.9Å; W586-I633 HydrophobicContact CZ2-CG2 4.43Å; W586-I634 HydrophobicContact CH2-CD1 3.39Å; W586-I634 HydrophobicContact CH2-CG1 3.57Å; W586-I634 HydrophobicContact CZ2-CD1 4.16Å; W586-I634 HydrophobicContact CZ2-CG1 4.35Å; W586-I634 HydrophobicContact CZ3-CD1 3.78Å; W586-I634 HydrophobicContact CZ3-CG1 4.32Å; W586-I639 HydrophobicContact CH2-CD1 3.83Å; W586-I639 HydrophobicContact CZ2-CD1 4.42Å; W586-F641 HydrophobicContact CD2-CE1 4.16Å; W586-F641 AromaticContact CD2-CZ 3.67Å; W586-F641 HydrophobicContact CD2-CZ 3.67Å; W586-F641 AromaticContact CE2-CE1 3.88Å; W586-F641 AromaticContact CE2-CZ 3.57Å; W586-F641 AromaticContact CE3-CZ 3.81Å; W586-F641 HydrophobicContact CE3-CZ 3.81Å; W586-F641 HydrophobicContact CG-CE1 4.46Å; W586-F641 HydrophobicContact CG-CZ 4.35Å; W586-F641 HydrophobicContact CH2-CE2 4.36Å; W586-F641 AromaticContact CH2-CZ 3.76Å; W586-F641 HydrophobicContact CH2-CZ 3.76Å; W586-F641 HydrophobicContact CZ2-CE1 4.22Å; W586-F641 AromaticContact CZ2-CZ 3.65Å; W586-F641 HydrophobicContact CZ2-CZ 3.65Å; W586-F641 HydrophobicContact CZ3-CE2 4.4Å; W586-F641 AromaticContact CZ3-CZ 3.86Å; W586-F641 HydrophobicContact CZ3-CZ 3.86Å; W586-F641 AromaticContact NE1-CE1 3.98Å; W586-P650 HydrophobicContact CZ2-CB 3.84Å; W586-P650 HydrophobicContact CZ2-CG 3.75Å
587	K	80.2	Confident	81	Confident	108 Å²	108	56.9 Å²	56.9	47%	0.47	27%	0.267	S	S	.	.	H	α-helix	trans	-55.1	-49	-175.9	-170.7	-178.9	177.7	-176.1	0	112.8	N583 H584 F590 Q591	N583-K587 PolarHBondContact O-N 2.03Å; N583-K587 VanDerWaalsContact O-N 3.13Å; H584-K587 PolarHBondContact O-N 3.48Å; K587-F590 PolarHBondContact O-N 2.87Å; K587-Q591 HydrophobicContact CG-CG 4.32Å; K587-Q591 VanDerWaalsContact CG-OE1 3.25Å; K587-Q591 WeakPolarHBondContact O-CB 3.32Å; K587-Q591 VanDerWaalsContact O-CG 3.28Å; K587-Q591 WeakPolarHBondContact O-CG 2.99Å; K587-Q591 PolarHBondContact O-N 2.03Å
588	W	78.4	Confident	81.1	Confident	51 Å²	51	56.8 Å²	56.8	19%	0.193	27%	0.266	C	S	.	.	H	α-helix	trans	-69.4	-36.8	-177.7	70.7	-92.2	0	0	0	112.5	Q585 W586 F590 Q591 D592 A595 I618 F627 I630	Q585-W588 PolarHBondContact O-NE1 3.07Å; W586-W588 PolarHBondContact O-N 2.91Å; W588-F590 VanDerWaalsContact C-N 3.33Å; W588-F590 PolarHBondContact O-N 2.84Å; W588-Q591 PolarHBondContact O-N 3.22Å; W588-D592 WeakPolarHBondContact O-CB 3.33Å; W588-D592 PolarHBondContact O-N 2.76Å; W588-A595 HydrophobicContact CE3-CB 3.49Å; W588-A595 VanDerWaalsContact CE3-CB 3.49Å; W588-A595 HydrophobicContact CZ3-CB 3.64Å; W588-I618 HydrophobicContact CH2-CD1 4.36Å; W588-F627 HydrophobicContact CH2-CB 3.93Å; W588-F627 HydrophobicContact CH2-CD1 4.16Å; W588-F627 AromaticContact CH2-CD2 3.51Å; W588-F627 HydrophobicContact CH2-CD2 3.51Å; W588-F627 HydrophobicContact CH2-CE2 4.06Å; W588-F627 AromaticContact CH2-CG 3.59Å; W588-F627 HydrophobicContact CH2-CG 3.59Å; W588-F627 HydrophobicContact CZ2-CB 3.51Å; W588-F627 HydrophobicContact CZ2-CD1 4.36Å; W588-F627 HydrophobicContact CZ2-CD2 4.02Å; W588-F627 AromaticContact CZ2-CG 3.71Å; W588-F627 HydrophobicContact CZ2-CG 3.71Å; W588-F627 HydrophobicContact CZ3-CD1 4.46Å; W588-F627 HydrophobicContact CZ3-CD2 4.28Å; W588-F627 HydrophobicContact CZ3-CE2 4.47Å; W588-F627 HydrophobicContact CZ3-CG 4.31Å; W588-I630 HydrophobicContact CH2-CD1 4.09Å; W588-I630 HydrophobicContact CH2-CG1 4.39Å; W588-I630 HydrophobicContact CZ2-CD1 3.84Å; W588-I630 HydrophobicContact CZ2-CG1 3.64Å
589	I	84.9	Confident	81	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-41.9	175.6	-63.2	178.8	0	0	0	110.9	W586 S596 L598 I614 I634	W586-I589 HydrophobicContact CE3-CB 4.32Å; W586-I589 HydrophobicContact CE3-CD1 3.85Å; W586-I589 HydrophobicContact CE3-CG2 4.34Å; W586-I589 HydrophobicContact CZ3-CD1 3.76Å; W586-I589 HydrophobicContact CZ3-CG2 4.31Å; W586-I589 PolarHBondContact O-N 2.8Å; I589-S596 WeakPolarHBondContact O-CB 3.46Å; I589-L598 HydrophobicContact CG2-CD1 3.52Å; I589-I614 HydrophobicContact CG2-CG2 3.86Å; I589-I634 HydrophobicContact CD1-CD1 3.89Å
590	F	87.7	Confident	80.9	Confident	5 Å²	5	50 Å²	50	2%	0.022	25%	0.247	C	C	.	.	H	α-helix	trans	-91.4	-7.1	-177.2	-64	-51	0	0	0	115.3	W570 M574 A577 M582 W586 K587 W588 L598 I614 F641	W570-F590 HydrophobicContact CE3-CE1 4.37Å; W570-F590 HydrophobicContact CZ3-CE1 4.05Å; W570-F590 HydrophobicContact CZ3-CZ 4.22Å; M574-F590 HydrophobicContact CE-CB 4.39Å; M574-F590 WeakPolarHBondContact CE-O 3.23Å; M574-F590 HydrophobicContact SD-CB 4.04Å; M574-F590 HydrophobicContact SD-CD1 3.5Å; M574-F590 VanDerWaalsContact SD-CD1 3.5Å; M574-F590 HydrophobicContact SD-CE1 4.3Å; M574-F590 HydrophobicContact SD-CG 4.08Å; A577-F590 HydrophobicContact CB-CB 3.5Å; A577-F590 VanDerWaalsContact CB-CB 3.5Å; A577-F590 HydrophobicContact CB-CD2 4.09Å; A577-F590 HydrophobicContact CB-CG 4.05Å; M582-F590 HydrophobicContact CE-CD2 3.66Å; M582-F590 HydrophobicContact CE-CE2 3.37Å; M582-F590 HydrophobicContact CE-CZ 4.16Å; M582-F590 HydrophobicContact CG-CD2 4.27Å; M582-F590 HydrophobicContact SD-CD2 4.23Å; M582-F590 HydrophobicContact SD-CE2 4.01Å; W586-F590 HydrophobicContact CB-CD2 3.84Å; W586-F590 HydrophobicContact CB-CE2 3.75Å; W586-F590 AromaticContact CD2-CE2 3.92Å; W586-F590 HydrophobicContact CD2-CE2 3.92Å; W586-F590 HydrophobicContact CD2-CZ 4.45Å; W586-F590 HydrophobicContact CE3-CD2 4.3Å; W586-F590 AromaticContact CE3-CE2 3.52Å; W586-F590 HydrophobicContact CE3-CE2 3.52Å; W586-F590 AromaticContact CE3-CZ 3.74Å; W586-F590 HydrophobicContact CE3-CZ 3.74Å; W586-F590 HydrophobicContact CG-CE2 4.03Å; W586-F590 HydrophobicContact CZ3-CE2 4.4Å; W586-F590 HydrophobicContact CZ3-CZ 4.19Å; W586-F590 VanDerWaalsContact O-CD2 3.23Å; W586-F590 WeakPolarHBondContact O-CD2 3.27Å; W586-F590 PolarHBondContact O-N 2.7Å; K587-F590 PolarHBondContact O-N 2.87Å; W588-F590 VanDerWaalsContact C-N 3.33Å; W588-F590 PolarHBondContact O-N 2.84Å; F590-L598 HydrophobicContact CD1-CD1 4.17Å; F590-L598 HydrophobicContact CE1-CD1 4.02Å; F590-I614 HydrophobicContact CZ-CD1 4.48Å; F590-F641 HydrophobicContact CE2-CE2 4.33Å; F590-F641 AromaticContact CE2-CZ 3.94Å; F590-F641 HydrophobicContact CE2-CZ 3.94Å; F590-F641 AromaticContact CZ-CE2 3.65Å; F590-F641 HydrophobicContact CZ-CE2 3.65Å; F590-F641 AromaticContact CZ-CZ 3.69Å; F590-F641 HydrophobicContact CZ-CZ 3.69Å
591	Q	83.5	Confident	81	Confident	80 Å²	80	48 Å²	48	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-125.1	-28.6	-176.8	-59.8	-177.1	-6.2	0	0	114.7	A577 K587 W588 T593	A577-Q591 PolarHBondContact O-NE2 3.27Å; K587-Q591 HydrophobicContact CG-CG 4.32Å; K587-Q591 VanDerWaalsContact CG-OE1 3.25Å; K587-Q591 WeakPolarHBondContact O-CB 3.32Å; K587-Q591 VanDerWaalsContact O-CG 3.28Å; K587-Q591 WeakPolarHBondContact O-CG 2.99Å; K587-Q591 PolarHBondContact O-N 2.03Å; W588-Q591 PolarHBondContact O-N 3.22Å; Q591-T593 PolarHBondContact O-N 3.39Å
592	D	82.3	Confident	81.2	Confident	39 Å²	39	43 Å²	43	21%	0.209	20%	0.201	C	C	.	.			trans	-93.3	102.9	-176.7	-164.5	-23.3	0	0	0	111.8	W588 R594 A595 S596	W588-D592 WeakPolarHBondContact O-CB 3.33Å; W588-D592 PolarHBondContact O-N 2.76Å; D592-R594 PolarHBondContact O-N 3.47Å; D592-R594 VanDerWaalsContact O-N 3.14Å; D592-R594 WeakPolarHBondContact OD1-CB 3.4Å; D592-R594 WeakPolarHBondContact OD1-CG 3.19Å; D592-R594 IonicContact OD1-CZ 3.99Å; D592-R594 PolarHBondContact OD1-N 3.3Å; D592-R594 IonicContact OD1-NE 3.32Å; D592-R594 PolarHBondContact OD1-NE 2.88Å; D592-R594 IonicContact OD1-NH2 2.66Å; D592-R594 IonicContact OD2-CZ 2.76Å; D592-R594 IonicContact OD2-NE 3.81Å; D592-R594 PolarHBondContact OD2-NE 2.76Å; D592-R594 IonicContact OD2-NH2 2.72Å; D592-R594 PolarHBondContact OD2-NH2 3.07Å; D592-A595 HydrophobicContact CB-CB 4.02Å; D592-A595 PolarHBondContact O-N 3.25Å; D592-S596 PolarHBondContact O-N 2.98Å
593	T	83.1	Confident	81.4	Confident	72 Å²	72	45.4 Å²	45.4	44%	0.442	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.3	177.2	50.7	0	0	0	0	114.2	Q591 P599 K619	Q591-T593 PolarHBondContact O-N 3.39Å; T593-P599 HydrophobicContact CG2-CB 3.84Å; T593-P599 HydrophobicContact CG2-CG 4.3Å; T593-K619 WeakPolarHBondContact O-CD 3.34Å; T593-K619 WeakPolarHBondContact O-CE 3.19Å; T593-K619 PolarHBondContact O-NZ 2.71Å
594	R	78.7	Confident	81.9	Confident	198 Å²	198	47.1 Å²	47.1	75%	0.747	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-27.5	174	-51.5	170.4	-64.1	172.7	4.9	111.4	D592	D592-R594 PolarHBondContact O-N 3.47Å; D592-R594 VanDerWaalsContact O-N 3.14Å; D592-R594 WeakPolarHBondContact OD1-CB 3.4Å; D592-R594 WeakPolarHBondContact OD1-CG 3.19Å; D592-R594 IonicContact OD1-CZ 3.99Å; D592-R594 PolarHBondContact OD1-N 3.3Å; D592-R594 IonicContact OD1-NE 3.32Å; D592-R594 PolarHBondContact OD1-NE 2.88Å; D592-R594 IonicContact OD1-NH2 2.66Å; D592-R594 IonicContact OD2-CZ 2.76Å; D592-R594 IonicContact OD2-NE 3.81Å; D592-R594 PolarHBondContact OD2-NE 2.76Å; D592-R594 IonicContact OD2-NH2 2.72Å; D592-R594 PolarHBondContact OD2-NH2 3.07Å
595	A	77.1	Confident	82.5	Confident	15 Å²	15	45.9 Å²	45.9	12%	0.124	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-33.7	-173.1	0	0	0	0	0	112.6	W588 D592 K619	W588-A595 HydrophobicContact CE3-CB 3.49Å; W588-A595 VanDerWaalsContact CE3-CB 3.49Å; W588-A595 HydrophobicContact CZ3-CB 3.64Å; D592-A595 HydrophobicContact CB-CB 4.02Å; D592-A595 PolarHBondContact O-N 3.25Å; A595-K619 PolarHBondContact O-N 3.23Å
596	S	84.3	Confident	83	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-136.2	154.6	174.7	-175.1	0	0	0	0	112.6	I589 D592 L598 P599 L617	I589-S596 WeakPolarHBondContact O-CB 3.46Å; D592-S596 PolarHBondContact O-N 2.98Å; S596-L598 VanDerWaalsContact C-N 3.31Å; S596-L598 WeakPolarHBondContact OG-CB 3.04Å; S596-L598 PolarHBondContact OG-N 2.86Å; S596-L598 VanDerWaalsContact OG-N 3.07Å; S596-P599 WeakPolarHBondContact O-CD 3.32Å; S596-L617 CarbonylContact C-O 3.53Å; S596-L617 VanDerWaalsContact CA-O 3.27Å; S596-L617 WeakPolarHBondContact CA-O 3.47Å; S596-L617 WeakPolarHBondContact CB-O 3.43Å; S596-L617 PolarHBondContact OG-O 2.83Å
597	A	84.4	Confident	83.1	Confident	2 Å²	2	48.6 Å²	48.6	2%	0.017	24%	0.239	C	C	.	.	S	Bend	trans	-75.7	-15.4	166.1	0	0	0	0	0	113.3	Y517 P599 E600 L601 L617	Y517-A597 HydrophobicContact CD2-CB 3.81Å; Y517-A597 HydrophobicContact CE2-CB 3.35Å; A597-P599 VanDerWaalsContact C-CD 3.48Å; A597-E600 WeakPolarHBondContact O-CB 3.45Å; A597-E600 PolarHBondContact O-N 2.72Å; A597-E600 VanDerWaalsContact O-N 3.16Å; A597-L601 VanDerWaalsContact O-CB 3.26Å; A597-L601 WeakPolarHBondContact O-CB 2.96Å; A597-L601 PolarHBondContact O-N 3.24Å; A597-L617 PolarHBondContact N-O 2.95Å
598	L	87.3	Confident	83.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-54.1	-44.9	-177.7	-78	165.6	0	0	0	114.9	I589 F590 S596 E600 L601 F602 L612 I614 L617	I589-L598 HydrophobicContact CG2-CD1 3.52Å; F590-L598 HydrophobicContact CD1-CD1 4.17Å; F590-L598 HydrophobicContact CE1-CD1 4.02Å; S596-L598 VanDerWaalsContact C-N 3.31Å; S596-L598 WeakPolarHBondContact OG-CB 3.04Å; S596-L598 PolarHBondContact OG-N 2.86Å; S596-L598 VanDerWaalsContact OG-N 3.07Å; L598-E600 VanDerWaalsContact C-N 3.26Å; L598-E600 PolarHBondContact O-N 2.93Å; L598-L601 PolarHBondContact O-N 2.87Å; L598-F602 HydrophobicContact CD2-CD2 4.02Å; L598-F602 HydrophobicContact CD2-CE2 3.73Å; L598-F602 WeakPolarHBondContact O-CD2 3Å; L598-F602 PolarHBondContact O-N 2.7Å; L598-L612 HydrophobicContact CD2-CD2 3.79Å; L598-I614 HydrophobicContact CD1-CD1 4.28Å; L598-I614 HydrophobicContact CD1-CG1 4.23Å; L598-I614 HydrophobicContact CD1-CG2 4.03Å; L598-L617 HydrophobicContact CD2-CD1 3.61Å; L598-L617 HydrophobicContact CG-CB 4.24Å; L598-L617 HydrophobicContact CG-CD1 3.95Å
599	P	85.3	Confident	83.7	Confident	17 Å²	17	43.8 Å²	43.8	11%	0.11	22%	0.222	C	C	.	.	H	α-helix	trans	-67.7	-29	-179	-12	26.2	0	0	0	112.8	M574 T593 S596 A597 S603	M574-P599 HydrophobicContact CE-CB 4.37Å; T593-P599 HydrophobicContact CG2-CB 3.84Å; T593-P599 HydrophobicContact CG2-CG 4.3Å; S596-P599 WeakPolarHBondContact O-CD 3.32Å; A597-P599 VanDerWaalsContact C-CD 3.48Å; P599-S603 WeakPolarHBondContact O-CA 3.25Å; P599-S603 PolarHBondContact O-N 2.96Å; P599-S603 VanDerWaalsContact O-N 3.16Å
600	E	84.3	Confident	84	Confident	106 Å²	106	44 Å²	44	50%	0.495	22%	0.223	S	C	.	.	H	α-helix	trans	-78.6	-45	178.1	-175.7	172.9	-175.1	0	0	111	A597 L598 F602 S603 K619	A597-E600 WeakPolarHBondContact O-CB 3.45Å; A597-E600 PolarHBondContact O-N 2.72Å; A597-E600 VanDerWaalsContact O-N 3.16Å; L598-E600 VanDerWaalsContact C-N 3.26Å; L598-E600 PolarHBondContact O-N 2.93Å; E600-F602 VanDerWaalsContact C-N 3.34Å; E600-F602 PolarHBondContact O-N 3.47Å; E600-S603 WeakPolarHBondContact O-CB 3.21Å; E600-S603 PolarHBondContact O-N 2.81Å; E600-S603 PolarHBondContact O-OG 2.66Å; E600-K619 IonicContact OE2-NZ 3.11Å; E600-K619 PolarHBondContact OE2-NZ 3.26Å
601	L	84.2	Confident	84.3	Confident	10 Å²	10	43.8 Å²	43.8	5%	0.052	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-38.9	176.6	-178.1	60.6	0	0	0	112.7	I518 R529 A597 L598 M606 L617	I518-L601 HydrophobicContact CD1-CD2 3.9Å; I518-L601 HydrophobicContact CG1-CD1 4.4Å; I518-L601 HydrophobicContact CG1-CD2 4.13Å; R529-L601 PolarHBondContact NH2-O 2.89Å; A597-L601 VanDerWaalsContact O-CB 3.26Å; A597-L601 WeakPolarHBondContact O-CB 2.96Å; A597-L601 PolarHBondContact O-N 3.24Å; L598-L601 PolarHBondContact O-N 2.87Å; L601-M606 HydrophobicContact CD1-CE 4.13Å; L601-M606 HydrophobicContact CD2-CE 4.42Å; L601-M606 HydrophobicContact CG-CE 3.85Å; L601-L617 HydrophobicContact CD2-CD1 4.13Å; L601-L617 HydrophobicContact CD2-CD2 4.47Å
602	F	86.7	Confident	84.6	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.009	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	20.6	176.5	-68.1	-84.7	0	0	0	113.8	W570 M574 R578 L598 E600 K604 M606 H608 L612	W570-F602 HydrophobicContact CB-CD1 4.15Å; W570-F602 HydrophobicContact CB-CE1 3.26Å; W570-F602 HydrophobicContact CB-CE2 4.01Å; W570-F602 HydrophobicContact CB-CZ 3.18Å; W570-F602 HydrophobicContact CD2-CZ 4.46Å; W570-F602 HydrophobicContact CG-CE1 4.24Å; W570-F602 HydrophobicContact CG-CE2 4.43Å; W570-F602 AromaticContact CG-CZ 3.71Å; W570-F602 HydrophobicContact CG-CZ 3.71Å; M574-F602 HydrophobicContact CB-CB 4.45Å; M574-F602 HydrophobicContact CE-CB 4.17Å; M574-F602 HydrophobicContact CG-CB 3.62Å; M574-F602 HydrophobicContact CG-CD1 4.37Å; M574-F602 HydrophobicContact CG-CD2 4.25Å; M574-F602 HydrophobicContact CG-CG 3.84Å; M574-F602 HydrophobicContact SD-CB 4.33Å; R578-F602 PolarHBondContact NH2-O 3.07Å; L598-F602 HydrophobicContact CD2-CD2 4.02Å; L598-F602 HydrophobicContact CD2-CE2 3.73Å; L598-F602 WeakPolarHBondContact O-CD2 3Å; L598-F602 PolarHBondContact O-N 2.7Å; E600-F602 VanDerWaalsContact C-N 3.34Å; E600-F602 PolarHBondContact O-N 3.47Å; F602-K604 VanDerWaalsContact C-N 3.35Å; F602-K604 CarbonylContact C-O 3.58Å; F602-M606 HydrophobicContact CD1-CB 3.97Å; F602-M606 HydrophobicContact CD1-CE 3.73Å; F602-M606 HydrophobicContact CD2-CE 4.28Å; F602-M606 HydrophobicContact CE1-CB 4.06Å; F602-M606 HydrophobicContact CE1-CE 3.16Å; F602-M606 HydrophobicContact CE1-CG 4.38Å; F602-M606 HydrophobicContact CE2-CE 3.8Å; F602-M606 HydrophobicContact CG-CE 4.24Å; F602-M606 HydrophobicContact CZ-CE 3.19Å; F602-H608 HydrophobicContact CE1-CB 4.06Å; F602-H608 HydrophobicContact CZ-CB 4.2Å; F602-L612 HydrophobicContact CE2-CD2 4.31Å
603	S	82.2	Confident	85	Confident	74 Å²	74	38.5 Å²	38.5	52%	0.517	20%	0.196	S	C	.	.	S	Bend	trans	-62.1	-41.6	174.4	58.4	0	0	0	0	112.1	P599 E600	P599-S603 WeakPolarHBondContact O-CA 3.25Å; P599-S603 PolarHBondContact O-N 2.96Å; P599-S603 VanDerWaalsContact O-N 3.16Å; E600-S603 WeakPolarHBondContact O-CB 3.21Å; E600-S603 PolarHBondContact O-N 2.81Å; E600-S603 PolarHBondContact O-OG 2.66Å
604	K	81.2	Confident	85.3	Confident	81 Å²	81	35.1 Å²	35.1	35%	0.352	18%	0.176	S	C	.	.	S	Bend	trans	-91.3	147.7	166.2	-61.4	179.6	-176.9	177.7	0	110.1	E512 Y523 F602 M606	E512-K604 IonicContact OE1-NZ 3.99Å; E512-K604 PolarHBondContact OE1-NZ 3.38Å; E512-K604 IonicContact OE2-NZ 3.91Å; Y523-K604 PolarHBondContact OH-NZ 3.02Å; F602-K604 VanDerWaalsContact C-N 3.35Å; F602-K604 CarbonylContact C-O 3.58Å; K604-M606 PolarHBondContact O-N 3.28Å; K604-M606 VanDerWaalsContact O-N 3.12Å
605	P	81.7	Confident	85.5	Confident	75 Å²	75	25.9 Å²	25.9	49%	0.487	14%	0.141	S	C	.	.			trans	-52.4	118.3	171.9	-25.2	33.4	0	0	0	111.7	T527 A528 R529	T527-P605 WeakPolarHBondContact O-CD 3.22Å; T527-P605 WeakPolarHBondContact O-CG 3.22Å; A528-P605 WeakPolarHBondContact CA-O 3.32Å; R529-P605 PolarHBondContact N-O 3.07Å
606	M	84.5	Confident	85.8	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.01	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-123.3	122.5	178.6	-176.6	168.2	67.8	0	0	110.5	I518 M521 R529 S571 L601 F602 K604 H608	I518-M606 HydrophobicContact CD1-CE 3.98Å; M521-M606 HydrophobicContact CE-CG 3.77Å; M521-M606 HydrophobicContact CE-SD 3.28Å; M521-M606 WeakPolarHBondContact CE-SD 3.49Å; M521-M606 HydrophobicContact SD-SD 3.95Å; R529-M606 HydrophobicContact CG-CB 4.29Å; R529-M606 HydrophobicContact CG-CG 4.42Å; R529-M606 CarbonylContact O-C 3.54Å; R529-M606 VanDerWaalsContact O-CA 3.25Å; R529-M606 WeakPolarHBondContact O-CA 3.5Å; S571-M606 WeakPolarHBondContact CB-O 3.49Å; L601-M606 HydrophobicContact CD1-CE 4.13Å; L601-M606 HydrophobicContact CD2-CE 4.42Å; L601-M606 HydrophobicContact CG-CE 3.85Å; F602-M606 HydrophobicContact CD1-CB 3.97Å; F602-M606 HydrophobicContact CD1-CE 3.73Å; F602-M606 HydrophobicContact CD2-CE 4.28Å; F602-M606 HydrophobicContact CE1-CB 4.06Å; F602-M606 HydrophobicContact CE1-CE 3.16Å; F602-M606 HydrophobicContact CE1-CG 4.38Å; F602-M606 HydrophobicContact CE2-CE 3.8Å; F602-M606 HydrophobicContact CG-CE 4.24Å; F602-M606 HydrophobicContact CZ-CE 3.19Å; K604-M606 PolarHBondContact O-N 3.28Å; K604-M606 VanDerWaalsContact O-N 3.12Å; M606-H608 HydrophobicContact CE-CB 4.24Å; M606-H608 HydrophobicContact CG-CB 4.36Å; M606-H608 PolarHBondContact O-N 2.74Å; M606-H608 VanDerWaalsContact O-N 3.12Å
607	E	82.7	Confident	85.8	Confident	83 Å²	83	25.8 Å²	25.8	39%	0.388	14%	0.139	S	C	.	.			trans	-77.7	95.5	172	-77.2	-161.9	-138.2	0	0	110.2	R506 I524 R529	R506-E607 IonicContact CZ-OE1 2.67Å; R506-E607 IonicContact CZ-OE2 2.7Å; R506-E607 IonicContact NH1-OE1 2.78Å; R506-E607 PolarHBondContact NH1-OE1 2.79Å; R506-E607 IonicContact NH1-OE2 3.71Å; R506-E607 PolarHBondContact NH1-OE2 3.13Å; R506-E607 IonicContact NH2-OE1 3.31Å; R506-E607 IonicContact NH2-OE2 3.29Å; R506-E607 PolarHBondContact NH2-OE2 2.9Å; I524-E607 HydrophobicContact CD1-CB 4.31Å; I524-E607 HydrophobicContact CD1-CG 4.47Å; R529-E607 PolarHBondContact O-N 3.01Å
608	H	85	Confident	85.8	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.139	C	C	.	.			trans	-137.1	116	176	-157.3	-69	0	0	0	108.4	R503 S569 W570 F602 M606 Q610	R503-H608 PolarHBondContact NH2-CD2 3.48Å; R503-H608 PolarHBondContact NH2-NE2 2.76Å; R503-H608 VanDerWaalsContact NH2-NE2 3.18Å; S569-H608 CarbonylContact C-O 3.58Å; S569-H608 VanDerWaalsContact CA-O 3.31Å; S569-H608 WeakPolarHBondContact CA-O 3.26Å; S569-H608 PolarHBondContact OG-O 3.05Å; S569-H608 VanDerWaalsContact OG-O 3.13Å; W570-H608 HydrophobicContact CB-CB 4.47Å; W570-H608 AromaticContact CD1-CG 3.96Å; W570-H608 AromaticContact CD1-ND1 3.35Å; W570-H608 VanDerWaalsContact CD1-ND1 3.35Å; W570-H608 VanDerWaalsContact CD1-O 3.26Å; W570-H608 PolarHBondContact N-O 2.72Å; W570-H608 AromaticContact NE1-ND1 3.68Å; F602-H608 HydrophobicContact CE1-CB 4.06Å; F602-H608 HydrophobicContact CZ-CB 4.2Å; M606-H608 HydrophobicContact CE-CB 4.24Å; M606-H608 HydrophobicContact CG-CB 4.36Å; M606-H608 PolarHBondContact O-N 2.74Å; M606-H608 VanDerWaalsContact O-N 3.12Å; H608-Q610 PolarHBondContact CE1-O 3.32Å; H608-Q610 VanDerWaalsContact CE1-O 3.29Å; H608-Q610 PolarHBondContact ND1-O 2.93Å; H608-Q610 VanDerWaalsContact ND1-O 3.13Å
609	N	87.4	Confident	85.2	Confident	57 Å²	57	30.4 Å²	30.4	31%	0.305	16%	0.159	S	C	.	.			trans	-121	0.6	170.7	66.4	-17.2	0	0	0	112.4	N559 C567	N559-N609 WeakPolarHBondContact CB-O 3.3Å; C567-N609 WeakPolarHBondContact CB-O 3.29Å
610	Q	90.6	Very high	84.5	Confident	6 Å²	6	33 Å²	33	3%	0.028	17%	0.172	C	C	.	.	S	Bend	trans	-74	156.2	174.6	-58.6	75.9	7.6	0	0	110.1	Y534 G556 K558 W570 H608	Y534-Q610 HydrophobicContact CE1-CG 4.32Å; Y534-Q610 PolarHBondContact OH-NE2 2.73Å; G556-Q610 WeakPolarHBondContact O-CB 3.35Å; G556-Q610 WeakPolarHBondContact O-CG 3.43Å; K558-Q610 CarbonylContact O-C 3.59Å; K558-Q610 VanDerWaalsContact O-CA 3.25Å; K558-Q610 WeakPolarHBondContact O-CA 3.41Å; W570-Q610 PolarHBondContact NE1-O 3.41Å; H608-Q610 PolarHBondContact CE1-O 3.32Å; H608-Q610 VanDerWaalsContact CE1-O 3.29Å; H608-Q610 PolarHBondContact ND1-O 2.93Å; H608-Q610 VanDerWaalsContact ND1-O 3.13Å
611	C	93.3	Very high	83.5	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.			trans	-63	151	178.8	-55.7	0	0	0	0	111.7	Y554 K558 P638 I639 C653	Y554-C611 HydrophobicContact CD1-CB 4.39Å; Y554-C611 WeakPolarHBondContact CD1-O 3.41Å; Y554-C611 HydrophobicContact CE1-CB 4.44Å; K558-C611 PolarHBondContact O-N 2.69Å; K558-C611 PolarHBondContact O-SG 3.45Å; C611-P638 HydrophobicContact CB-CB 4.22Å; C611-I639 CarbonylContact C-O 3.5Å; C611-I639 VanDerWaalsContact CA-O 3.3Å; C611-I639 WeakPolarHBondContact CA-O 3.28Å; C611-C653 HydrophobicContact CB-CB 3.48Å; C611-C653 VanDerWaalsContact CB-CB 3.48Å; C611-C653 WeakPolarHBondContact CB-SG 3.33Å; C611-C653 WeakPolarHBondContact SG-CB 3.41Å; C611-C653 CovalentContact SG-SG 2.01Å; C611-C653 PolarHBondContact SG-SG 3.16Å
612	L	91.3	Very high	82.3	Confident	6 Å²	6	34 Å²	34	3%	0.031	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-141.2	134.1	-173.6	-165.1	61.9	0	0	0	109	I518 W570 L598 F602 I614 L617 I639	I518-L612 HydrophobicContact CD1-CD1 3.72Å; I518-L612 HydrophobicContact CG1-CD1 4.3Å; W570-L612 HydrophobicContact CD2-CD2 4.21Å; W570-L612 HydrophobicContact CE3-CD2 4.49Å; W570-L612 HydrophobicContact CH2-CB 4.13Å; W570-L612 HydrophobicContact CZ2-CB 3.42Å; W570-L612 VanDerWaalsContact CZ2-CB 3.42Å; W570-L612 HydrophobicContact CZ2-CD2 4.23Å; W570-L612 HydrophobicContact CZ2-CG 4.47Å; L598-L612 HydrophobicContact CD2-CD2 3.79Å; F602-L612 HydrophobicContact CE2-CD2 4.31Å; L612-I614 PolarHBondContact O-N 3.06Å; L612-L617 HydrophobicContact CD1-CD1 4.04Å; L612-L617 HydrophobicContact CD2-CD1 3.53Å; L612-L617 HydrophobicContact CG-CD1 3.7Å; L612-I639 PolarHBondContact N-O 3.4Å; L612-I639 PolarHBondContact O-N 3.42Å
613	N	89.9	Confident	81	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.189	C	C	.	.			trans	-82	99.4	171.5	-169.6	-5.9	0	0	0	108.7	M549 L550 I552 L615 T616 P638	M549-N613 PolarHBondContact O-ND2 2.93Å; L550-N613 PolarHBondContact O-ND2 2.78Å; I552-N613 WeakPolarHBondContact O-CB 3.18Å; I552-N613 PolarHBondContact O-ND2 3.35Å; N613-L615 PolarHBondContact O-N 3.01Å; N613-L615 WeakPolarHBondContact OD1-CB 3.35Å; N613-L615 PolarHBondContact OD1-N 2.99Å; N613-T616 HydrophobicContact CB-CG2 4.28Å; N613-T616 PolarHBondContact O-N 3.15Å; N613-T616 PolarHBondContact O-OG1 3.32Å; N613-P638 HydrophobicContact CB-CG 4.23Å
614	I	89.2	Confident	80.1	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-62.8	-29.6	179.9	-66.9	-171	0	0	0	111.2	W570 W586 I589 F590 L598 L612 T616 L617 I618 I634 I639 F641	W570-I614 HydrophobicContact CH2-CD1 3.77Å; W570-I614 HydrophobicContact CH2-CG1 4Å; W570-I614 HydrophobicContact CZ3-CD1 3.84Å; W570-I614 HydrophobicContact CZ3-CG1 4.33Å; W586-I614 HydrophobicContact CE3-CD1 4.48Å; W586-I614 HydrophobicContact CH2-CD1 3.78Å; W586-I614 HydrophobicContact CZ3-CD1 3.41Å; W586-I614 VanDerWaalsContact CZ3-CD1 3.41Å; W586-I614 HydrophobicContact CZ3-CG2 4.45Å; I589-I614 HydrophobicContact CG2-CG2 3.86Å; F590-I614 HydrophobicContact CZ-CD1 4.48Å; L598-I614 HydrophobicContact CD1-CD1 4.28Å; L598-I614 HydrophobicContact CD1-CG1 4.23Å; L598-I614 HydrophobicContact CD1-CG2 4.03Å; L612-I614 PolarHBondContact O-N 3.06Å; I614-T616 VanDerWaalsContact C-N 3.28Å; I614-T616 PolarHBondContact O-N 2.87Å; I614-L617 PolarHBondContact O-N 2.7Å; I614-I618 PolarHBondContact O-N 2.89Å; I614-I634 HydrophobicContact CB-CG1 4.42Å; I614-I634 HydrophobicContact CB-CG2 4.42Å; I614-I634 HydrophobicContact CG2-CD1 4.29Å; I614-I634 HydrophobicContact CG2-CG1 4.48Å; I614-I639 HydrophobicContact CD1-CD1 3.76Å; I614-I639 HydrophobicContact CD1-CG1 4.22Å; I614-I639 HydrophobicContact CG1-CD1 4.25Å; I614-I639 HydrophobicContact CG1-CG1 4.26Å; I614-F641 HydrophobicContact CD1-CE2 4.26Å
615	L	83.9	Confident	79.2	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.026	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-61.2	-37.8	-178.5	-171.7	54.1	0	0	0	111.9	L550 N613 L617 I618 Q621 Y624 I634 L635	L550-L615 HydrophobicContact CB-CD2 3.95Å; L550-L615 HydrophobicContact CD2-CD2 3.84Å; L550-L615 HydrophobicContact CG-CD2 4.42Å; N613-L615 PolarHBondContact O-N 3.01Å; N613-L615 WeakPolarHBondContact OD1-CB 3.35Å; N613-L615 PolarHBondContact OD1-N 2.99Å; L615-L617 PolarHBondContact O-N 3.47Å; L615-I618 HydrophobicContact CD1-CD1 4.23Å; L615-I618 PolarHBondContact O-N 3.33Å; L615-Q621 WeakPolarHBondContact O-CG 3.41Å; L615-Y624 HydrophobicContact CD1-CD1 3.62Å; L615-Y624 HydrophobicContact CD1-CD2 4.41Å; L615-Y624 HydrophobicContact CD1-CE1 4.37Å; L615-Y624 HydrophobicContact CD1-CG 3.66Å; L615-Y624 HydrophobicContact CD2-CD1 4.49Å; L615-Y624 HydrophobicContact CD2-CE1 4.49Å; L615-I634 HydrophobicContact CB-CG2 3.82Å; L615-I634 HydrophobicContact CD1-CG2 4.48Å; L615-L635 HydrophobicContact CD2-CD2 4.43Å
616	T	81.9	Confident	78	Confident	7 Å²	7	38.7 Å²	38.7	4%	0.043	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-71.3	-17	177.8	62.9	0	0	0	0	113	E553 N613 I614 Q621	E553-T616 HydrophobicContact CG-CG2 3.76Å; N613-T616 HydrophobicContact CB-CG2 4.28Å; N613-T616 PolarHBondContact O-N 3.15Å; N613-T616 PolarHBondContact O-OG1 3.32Å; I614-T616 VanDerWaalsContact C-N 3.28Å; I614-T616 PolarHBondContact O-N 2.87Å; T616-Q621 VanDerWaalsContact CA-NE2 3.34Å; T616-Q621 PolarHBondContact O-NE2 2.85Å
617	L	85.1	Confident	76.9	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.026	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-97.6	3.8	179.7	-58.1	178	0	0	0	113.8	Y517 S596 A597 L598 L601 L612 I614 L615	Y517-L617 HydrophobicContact CD1-CD2 3.98Å; Y517-L617 HydrophobicContact CD2-CD2 4.31Å; Y517-L617 HydrophobicContact CG-CD2 3.7Å; S596-L617 CarbonylContact C-O 3.53Å; S596-L617 VanDerWaalsContact CA-O 3.27Å; S596-L617 WeakPolarHBondContact CA-O 3.47Å; S596-L617 WeakPolarHBondContact CB-O 3.43Å; S596-L617 PolarHBondContact OG-O 2.83Å; A597-L617 PolarHBondContact N-O 2.95Å; L598-L617 HydrophobicContact CD2-CD1 3.61Å; L598-L617 HydrophobicContact CG-CB 4.24Å; L598-L617 HydrophobicContact CG-CD1 3.95Å; L601-L617 HydrophobicContact CD2-CD1 4.13Å; L601-L617 HydrophobicContact CD2-CD2 4.47Å; L612-L617 HydrophobicContact CD1-CD1 4.04Å; L612-L617 HydrophobicContact CD2-CD1 3.53Å; L612-L617 HydrophobicContact CG-CD1 3.7Å; I614-L617 PolarHBondContact O-N 2.7Å; L615-L617 PolarHBondContact O-N 3.47Å
618	I	83.4	Confident	75.6	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.015	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-83.6	126.6	171.2	-66.8	173.1	0	0	0	108.2	W588 I614 L615 D620 Q621 F627 I630	W588-I618 HydrophobicContact CH2-CD1 4.36Å; I614-I618 PolarHBondContact O-N 2.89Å; L615-I618 HydrophobicContact CD1-CD1 4.23Å; L615-I618 PolarHBondContact O-N 3.33Å; I618-D620 PolarHBondContact O-N 3.39Å; I618-Q621 WeakPolarHBondContact O-CG 3.47Å; I618-Q621 PolarHBondContact O-N 3.15Å; I618-F627 HydrophobicContact CG2-CE2 4.09Å; I618-I630 HydrophobicContact CD1-CD1 4.23Å
619	K	76	Confident	74.4	Confident	96 Å²	96	44.5 Å²	44.5	42%	0.417	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.8	-173.6	-71.6	-174.7	176.2	176.6	0	113.3	T593 A595 E600	T593-K619 WeakPolarHBondContact O-CD 3.34Å; T593-K619 WeakPolarHBondContact O-CE 3.19Å; T593-K619 PolarHBondContact O-NZ 2.71Å; A595-K619 PolarHBondContact O-N 3.23Å; E600-K619 IonicContact OE2-NZ 3.11Å; E600-K619 PolarHBondContact OE2-NZ 3.26Å
620	D	69.7	Low	73.5	Confident	73 Å²	73	43 Å²	43	39%	0.39	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	65.6	169.6	-171.1	-6.8	0	0	0	110.3	I618 A622 S623 Y624	I618-D620 PolarHBondContact O-N 3.39Å; D620-A622 PolarHBondContact O-N 3.42Å; D620-S623 PolarHBondContact O-N 2.74Å; D620-S623 WeakPolarHBondContact OD1-CB 3.44Å; D620-S623 PolarHBondContact OD1-N 3.3Å; D620-S623 VanDerWaalsContact OD1-N 3.13Å; D620-S623 PolarHBondContact OD1-OG 2.96Å; D620-S623 WeakPolarHBondContact OD2-CB 3.45Å; D620-S623 PolarHBondContact OD2-OG 3.21Å; D620-Y624 PolarHBondContact O-N 3.23Å
621	Q	64.3	Low	72.6	Confident	76 Å²	76	44.7 Å²	44.7	36%	0.355	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-51.9	-43.1	177.8	-55.4	-175.2	2.8	0	0	111.2	L615 T616 I618 S623 Y624	L615-Q621 WeakPolarHBondContact O-CG 3.41Å; T616-Q621 VanDerWaalsContact CA-NE2 3.34Å; T616-Q621 PolarHBondContact O-NE2 2.85Å; I618-Q621 WeakPolarHBondContact O-CG 3.47Å; I618-Q621 PolarHBondContact O-N 3.15Å; Q621-S623 PolarHBondContact O-N 2.62Å; Q621-Y624 VanDerWaalsContact O-CD1 3.26Å; Q621-Y624 WeakPolarHBondContact O-CD1 3.44Å; Q621-Y624 PolarHBondContact O-N 2.9Å; Q621-Y624 VanDerWaalsContact O-N 3.13Å
622	A	58	Low	71.7	Confident	60 Å²	60	46.7 Å²	46.7	50%	0.496	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-62.8	-15	-178.9	0	0	0	0	0	114	D620 Y625	D620-A622 PolarHBondContact O-N 3.42Å; A622-Y625 WeakPolarHBondContact O-CE1 3.34Å
623	S	60.7	Low	71.1	Confident	10 Å²	10	47.8 Å²	47.8	7%	0.07	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-115.9	13.5	178	-54.5	0	0	0	0	114.1	D620 Q621 Y625 K626	D620-S623 PolarHBondContact O-N 2.74Å; D620-S623 WeakPolarHBondContact OD1-CB 3.44Å; D620-S623 PolarHBondContact OD1-N 3.3Å; D620-S623 VanDerWaalsContact OD1-N 3.13Å; D620-S623 PolarHBondContact OD1-OG 2.96Å; D620-S623 WeakPolarHBondContact OD2-CB 3.45Å; D620-S623 PolarHBondContact OD2-OG 3.21Å; Q621-S623 PolarHBondContact O-N 2.62Å; S623-Y625 PolarHBondContact O-N 3.11Å; S623-K626 VanDerWaalsContact O-CB 3.29Å; S623-K626 WeakPolarHBondContact O-CB 3.32Å; S623-K626 WeakPolarHBondContact O-CG 3.35Å; S623-K626 PolarHBondContact O-N 3.4Å; S623-K626 PolarHBondContact OG-NZ 3.02Å
624	Y	62.3	Low	70.5	Confident	60 Å²	60	47.8 Å²	47.8	24%	0.235	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-51.1	-39.8	-174.5	78.7	-101.1	0	0	0	112.5	L615 D620 Q621 K626 F627 I630 L635	L615-Y624 HydrophobicContact CD1-CD1 3.62Å; L615-Y624 HydrophobicContact CD1-CD2 4.41Å; L615-Y624 HydrophobicContact CD1-CE1 4.37Å; L615-Y624 HydrophobicContact CD1-CG 3.66Å; L615-Y624 HydrophobicContact CD2-CD1 4.49Å; L615-Y624 HydrophobicContact CD2-CE1 4.49Å; D620-Y624 PolarHBondContact O-N 3.23Å; Q621-Y624 VanDerWaalsContact O-CD1 3.26Å; Q621-Y624 WeakPolarHBondContact O-CD1 3.44Å; Q621-Y624 PolarHBondContact O-N 2.9Å; Q621-Y624 VanDerWaalsContact O-N 3.13Å; Y624-K626 PolarHBondContact O-N 3.45Å; Y624-K626 VanDerWaalsContact O-N 3.09Å; Y624-F627 VanDerWaalsContact O-CD2 3.32Å; Y624-F627 WeakPolarHBondContact O-CD2 3.36Å; Y624-F627 PolarHBondContact O-N 3.33Å; Y624-F627 VanDerWaalsContact O-N 3.07Å; Y624-I630 HydrophobicContact CD2-CD1 4.47Å; Y624-I630 VanDerWaalsContact O-CD1 3.29Å; Y624-I630 WeakPolarHBondContact O-CD1 2.98Å; Y624-L635 HydrophobicContact CD2-CD2 3.82Å; Y624-L635 HydrophobicContact CE1-CD2 4.46Å; Y624-L635 HydrophobicContact CE2-CD1 4.06Å; Y624-L635 HydrophobicContact CE2-CD2 3.26Å; Y624-L635 HydrophobicContact CE2-CG 4.3Å
625	Y	62.6	Low	69.9	Low	138 Å²	138	49.9 Å²	49.9	54%	0.541	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-65.5	-12	-179.3	62.6	-96.1	0	0	0	114.2	A622 S623	A622-Y625 WeakPolarHBondContact O-CE1 3.34Å; S623-Y625 PolarHBondContact O-N 3.11Å
626	K	57.3	Low	69.8	Low	123 Å²	123	53.5 Å²	53.5	54%	0.535	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-85	-12.4	175.8	-53.9	-175.8	-162.6	147.7	0	112.6	S623 Y624 P628	S623-K626 VanDerWaalsContact O-CB 3.29Å; S623-K626 WeakPolarHBondContact O-CB 3.32Å; S623-K626 WeakPolarHBondContact O-CG 3.35Å; S623-K626 PolarHBondContact O-N 3.4Å; S623-K626 PolarHBondContact OG-NZ 3.02Å; Y624-K626 PolarHBondContact O-N 3.45Å; Y624-K626 VanDerWaalsContact O-N 3.09Å; K626-P628 WeakPolarHBondContact O-CD 3.45Å
627	F	60.7	Low	70	Confident	59 Å²	59	53.1 Å²	53.1	26%	0.259	28%	0.275	S	S	.	.	S	Bend	trans	-85.6	105.6	176.7	-57.7	-65.1	0	0	0	109.7	W588 I618 Y624 G629 I630	W588-F627 HydrophobicContact CH2-CB 3.93Å; W588-F627 HydrophobicContact CH2-CD1 4.16Å; W588-F627 AromaticContact CH2-CD2 3.51Å; W588-F627 HydrophobicContact CH2-CD2 3.51Å; W588-F627 HydrophobicContact CH2-CE2 4.06Å; W588-F627 AromaticContact CH2-CG 3.59Å; W588-F627 HydrophobicContact CH2-CG 3.59Å; W588-F627 HydrophobicContact CZ2-CB 3.51Å; W588-F627 HydrophobicContact CZ2-CD1 4.36Å; W588-F627 HydrophobicContact CZ2-CD2 4.02Å; W588-F627 AromaticContact CZ2-CG 3.71Å; W588-F627 HydrophobicContact CZ2-CG 3.71Å; W588-F627 HydrophobicContact CZ3-CD1 4.46Å; W588-F627 HydrophobicContact CZ3-CD2 4.28Å; W588-F627 HydrophobicContact CZ3-CE2 4.47Å; W588-F627 HydrophobicContact CZ3-CG 4.31Å; I618-F627 HydrophobicContact CG2-CE2 4.09Å; Y624-F627 VanDerWaalsContact O-CD2 3.32Å; Y624-F627 WeakPolarHBondContact O-CD2 3.36Å; Y624-F627 PolarHBondContact O-N 3.33Å; Y624-F627 VanDerWaalsContact O-N 3.07Å; F627-G629 PolarHBondContact O-N 3.24Å; F627-I630 HydrophobicContact CB-CD1 3.97Å; F627-I630 HydrophobicContact CB-CG1 4.01Å; F627-I630 HydrophobicContact CD2-CD1 4.11Å; F627-I630 PolarHBondContact O-N 2.76Å
628	P	54.2	Low	70.4	Confident	120 Å²	120	52.9 Å²	52.9	78%	0.779	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	133.8	-179.2	27.1	-34.7	0	0	0	110.2	K626	K626-P628 WeakPolarHBondContact O-CD 3.45Å
629	G	61.6	Low	70.9	Confident	29 Å²	29	52.8 Å²	52.8	30%	0.299	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	8.4	177.1	0	0	0	0	0	115.9	Q585 F627 D631	Q585-G629 WeakPolarHBondContact CB-O 3.02Å; Q585-G629 WeakPolarHBondContact CG-O 3.21Å; Q585-G629 PolarHBondContact NE2-O 3.38Å; F627-G629 PolarHBondContact O-N 3.24Å; G629-D631 PolarHBondContact O-N 3.43Å
630	I	67.8	Low	71.8	Confident	24 Å²	24	48.2 Å²	48.2	12%	0.123	25%	0.253	C	S	.	.			trans	-52.3	128.2	163.4	-78.5	-171.1	0	0	0	109.5	W588 I618 Y624 F627 P632 I634	W588-I630 HydrophobicContact CH2-CD1 4.09Å; W588-I630 HydrophobicContact CH2-CG1 4.39Å; W588-I630 HydrophobicContact CZ2-CD1 3.84Å; W588-I630 HydrophobicContact CZ2-CG1 3.64Å; I618-I630 HydrophobicContact CD1-CD1 4.23Å; Y624-I630 HydrophobicContact CD2-CD1 4.47Å; Y624-I630 VanDerWaalsContact O-CD1 3.29Å; Y624-I630 WeakPolarHBondContact O-CD1 2.98Å; F627-I630 HydrophobicContact CB-CD1 3.97Å; F627-I630 HydrophobicContact CB-CG1 4.01Å; F627-I630 HydrophobicContact CD2-CD1 4.11Å; F627-I630 PolarHBondContact O-N 2.76Å; I630-P632 VanDerWaalsContact O-CD 3.31Å; I630-P632 WeakPolarHBondContact O-CD 3.46Å; I630-I634 HydrophobicContact CG2-CB 4.45Å; I630-I634 HydrophobicContact CG2-CD1 3.88Å
631	D	71	Confident	72.9	Confident	42 Å²	42	44.8 Å²	44.8	23%	0.225	24%	0.235	C	C	.	.			trans	-65.1	119.2	171.6	-169.9	-29.4	0	0	0	108.7	W586 G629 I633 I634 P650	W586-D631 HydrophobicContact CZ2-CB 3.9Å; G629-D631 PolarHBondContact O-N 3.43Å; D631-I633 HydrophobicContact CB-CG2 3.92Å; D631-I633 PolarHBondContact O-N 3.23Å; D631-I633 VanDerWaalsContact OD1-CB 3.25Å; D631-I633 WeakPolarHBondContact OD1-CB 3.27Å; D631-I633 WeakPolarHBondContact OD1-CG2 3.47Å; D631-I633 PolarHBondContact OD1-N 3.22Å; D631-I634 PolarHBondContact O-N 3.39Å; D631-P650 VanDerWaalsContact OD2-CG 3.23Å; D631-P650 WeakPolarHBondContact OD2-CG 3.08Å
632	P	74.9	Confident	74.3	Confident	42 Å²	42	41.2 Å²	41.2	27%	0.273	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-58.3	-13.1	-179.4	-23.7	34.1	0	0	0	114	H186 I630 I634 L635	H186-P632 WeakPolarHBondContact NE2-CB 3.47Å; I630-P632 VanDerWaalsContact O-CD 3.31Å; I630-P632 WeakPolarHBondContact O-CD 3.46Å; P632-I634 PolarHBondContact O-N 3.29Å; P632-L635 VanDerWaalsContact O-CB 3.29Å; P632-L635 WeakPolarHBondContact O-CB 3.1Å; P632-L635 PolarHBondContact O-N 2.87Å
633	I	78.8	Confident	75.8	Confident	29 Å²	29	42.7 Å²	42.7	15%	0.149	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-58.1	-28.6	171.8	-148.1	71.4	0	0	0	113.4	W586 D631 L635 K636 I639 P650 P652	W586-I633 HydrophobicContact CZ2-CG2 4.43Å; D631-I633 HydrophobicContact CB-CG2 3.92Å; D631-I633 PolarHBondContact O-N 3.23Å; D631-I633 VanDerWaalsContact OD1-CB 3.25Å; D631-I633 WeakPolarHBondContact OD1-CB 3.27Å; D631-I633 WeakPolarHBondContact OD1-CG2 3.47Å; D631-I633 PolarHBondContact OD1-N 3.22Å; I633-L635 PolarHBondContact O-N 3.05Å; I633-K636 HydrophobicContact CD1-CD 4.13Å; I633-K636 WeakPolarHBondContact O-CB 3.21Å; I633-K636 PolarHBondContact O-N 3.35Å; I633-I639 HydrophobicContact CG2-CD1 4.39Å; I633-P650 HydrophobicContact CG2-CB 3.62Å; I633-P650 HydrophobicContact CG2-CG 3.61Å; I633-P652 HydrophobicContact CD1-CG 4.34Å
634	I	76.4	Confident	76.9	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-62.6	-28.7	174.4	-68.6	160.7	0	0	0	110.5	W586 I589 I614 L615 I630 D631 P632 K636 G637 I639	W586-I634 HydrophobicContact CH2-CD1 3.39Å; W586-I634 HydrophobicContact CH2-CG1 3.57Å; W586-I634 HydrophobicContact CZ2-CD1 4.16Å; W586-I634 HydrophobicContact CZ2-CG1 4.35Å; W586-I634 HydrophobicContact CZ3-CD1 3.78Å; W586-I634 HydrophobicContact CZ3-CG1 4.32Å; I589-I634 HydrophobicContact CD1-CD1 3.89Å; I614-I634 HydrophobicContact CB-CG1 4.42Å; I614-I634 HydrophobicContact CB-CG2 4.42Å; I614-I634 HydrophobicContact CG2-CD1 4.29Å; I614-I634 HydrophobicContact CG2-CG1 4.48Å; L615-I634 HydrophobicContact CB-CG2 3.82Å; L615-I634 HydrophobicContact CD1-CG2 4.48Å; I630-I634 HydrophobicContact CG2-CB 4.45Å; I630-I634 HydrophobicContact CG2-CD1 3.88Å; D631-I634 PolarHBondContact O-N 3.39Å; P632-I634 PolarHBondContact O-N 3.29Å; I634-K636 PolarHBondContact O-N 3.39Å; I634-G637 PolarHBondContact O-N 2.92Å; I634-I639 HydrophobicContact CG1-CD1 4.35Å
635	L	77.1	Confident	78	Confident	46 Å²	46	50.3 Å²	50.3	24%	0.241	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-77.7	0.1	177.2	-44.2	-177	0	0	0	112.7	L550 L615 Y624 P632 I633 G637	L550-L635 HydrophobicContact CD2-CB 4.15Å; L550-L635 VanDerWaalsContact CD2-O 3.28Å; L550-L635 WeakPolarHBondContact CD2-O 3.26Å; L615-L635 HydrophobicContact CD2-CD2 4.43Å; Y624-L635 HydrophobicContact CD2-CD2 3.82Å; Y624-L635 HydrophobicContact CE1-CD2 4.46Å; Y624-L635 HydrophobicContact CE2-CD1 4.06Å; Y624-L635 HydrophobicContact CE2-CD2 3.26Å; Y624-L635 HydrophobicContact CE2-CG 4.3Å; P632-L635 VanDerWaalsContact O-CB 3.29Å; P632-L635 WeakPolarHBondContact O-CB 3.1Å; P632-L635 PolarHBondContact O-N 2.87Å; I633-L635 PolarHBondContact O-N 3.05Å; L635-G637 VanDerWaalsContact C-N 3.34Å
636	K	81.3	Confident	78.8	Confident	80 Å²	80	49 Å²	49	35%	0.348	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-95.4	14.1	169.7	-54.6	-159.3	178.5	-159.7	0	112.9	M549 I633 I634 P652	M549-K636 WeakPolarHBondContact CG-O 3.17Å; M549-K636 VanDerWaalsContact SD-O 3.32Å; I633-K636 HydrophobicContact CD1-CD 4.13Å; I633-K636 WeakPolarHBondContact O-CB 3.21Å; I633-K636 PolarHBondContact O-N 3.35Å; I634-K636 PolarHBondContact O-N 3.39Å; K636-P652 HydrophobicContact CB-CB 4.07Å; K636-P652 HydrophobicContact CD-CG 4.39Å
637	G	87.6	Confident	80	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	81.4	-141.2	174.1	0	0	0	0	0	113.5	M549 I634 L635 I639	M549-G637 WeakPolarHBondContact O-CA 3.33Å; I634-G637 PolarHBondContact O-N 2.92Å; L635-G637 VanDerWaalsContact C-N 3.34Å; G637-I639 WeakPolarHBondContact O-CG2 3.42Å; G637-I639 PolarHBondContact O-N 2.96Å
638	P	92.8	Very high	81.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-61	120.9	-177.3	-20.2	30.5	0	0	0	112.2	I544 I552 Y554 C611 N613 C653 F654	I544-P638 HydrophobicContact CD1-CG 3.72Å; I552-P638 HydrophobicContact CG2-CG 3.93Å; Y554-P638 HydrophobicContact CD1-CB 4.49Å; Y554-P638 HydrophobicContact CG-CB 4.4Å; Y554-P638 HydrophobicContact CG-CG 4.22Å; C611-P638 HydrophobicContact CB-CB 4.22Å; N613-P638 HydrophobicContact CB-CG 4.23Å; P638-C653 WeakPolarHBondContact O-CB 3.31Å; P638-C653 PolarHBondContact O-N 3.16Å; P638-F654 HydrophobicContact CB-CD2 3.88Å; P638-F654 HydrophobicContact CB-CE2 4Å; P638-F654 HydrophobicContact CG-CD2 3.97Å; P638-F654 HydrophobicContact CG-CE2 4.19Å
639	I	93.6	Very high	82.9	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	170.1	177.3	68.7	169.9	0	0	0	110.7	W570 W586 C611 L612 I614 I633 I634 G637 F641 P650 Q651	W570-I639 HydrophobicContact CH2-CG1 4.33Å; W586-I639 HydrophobicContact CH2-CD1 3.83Å; W586-I639 HydrophobicContact CZ2-CD1 4.42Å; C611-I639 CarbonylContact C-O 3.5Å; C611-I639 VanDerWaalsContact CA-O 3.3Å; C611-I639 WeakPolarHBondContact CA-O 3.28Å; L612-I639 PolarHBondContact N-O 3.4Å; L612-I639 PolarHBondContact O-N 3.42Å; I614-I639 HydrophobicContact CD1-CD1 3.76Å; I614-I639 HydrophobicContact CD1-CG1 4.22Å; I614-I639 HydrophobicContact CG1-CD1 4.25Å; I614-I639 HydrophobicContact CG1-CG1 4.26Å; I633-I639 HydrophobicContact CG2-CD1 4.39Å; I634-I639 HydrophobicContact CG1-CD1 4.35Å; G637-I639 WeakPolarHBondContact O-CG2 3.42Å; G637-I639 PolarHBondContact O-N 2.96Å; I639-F641 HydrophobicContact CD1-CE2 4.27Å; I639-P650 HydrophobicContact CD1-CB 3.84Å; I639-Q651 CarbonylContact C-O 3.54Å; I639-Q651 VanDerWaalsContact CA-O 3.3Å; I639-Q651 WeakPolarHBondContact CA-O 3.22Å; I639-Q651 WeakPolarHBondContact CB-O 3.29Å
640	C	94.7	Very high	84.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	171.8	154.4	74.4	0	0	0	0	109.5	C567 W570 P650 Q651	C567-C640 VanDerWaalsContact CA-SG 3.54Å; C567-C640 HydrophobicContact CB-CB 3.54Å; C567-C640 WeakPolarHBondContact CB-SG 3.39Å; C567-C640 WeakPolarHBondContact SG-CB 3.46Å; C567-C640 CovalentContact SG-SG 2.02Å; C567-C640 PolarHBondContact SG-SG 3.22Å; W570-C640 HydrophobicContact CZ2-CB 4.49Å; C640-P650 CarbonylContact O-C 3.48Å; C640-P650 WeakPolarHBondContact O-CA 3.45Å; C640-Q651 PolarHBondContact N-O 2.71Å; C640-Q651 PolarHBondContact O-N 3Å; C640-Q651 VanDerWaalsContact O-O 3.12Å
641	F	93.4	Very high	85.4	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	145.3	174.7	-73.3	-101.6	0	0	0	110.7	I568 W570 M573 W586 F590 I614 I639 I648 M649 P650	I568-F641 WeakPolarHBondContact CB-O 3.39Å; I568-F641 HydrophobicContact CD1-CB 4.39Å; I568-F641 WeakPolarHBondContact CG1-O 3.37Å; I568-F641 PolarHBondContact N-O 3.18Å; W570-F641 AromaticContact CH2-CD2 3.93Å; W570-F641 HydrophobicContact CH2-CD2 3.93Å; W570-F641 AromaticContact CH2-CE2 3.91Å; W570-F641 HydrophobicContact CH2-CE2 3.91Å; W570-F641 AromaticContact CZ3-CD2 3.85Å; W570-F641 HydrophobicContact CZ3-CD2 3.85Å; W570-F641 AromaticContact CZ3-CE2 3.73Å; W570-F641 HydrophobicContact CZ3-CE2 3.73Å; M573-F641 HydrophobicContact CE-CB 3.34Å; M573-F641 HydrophobicContact CE-CD1 3.39Å; M573-F641 HydrophobicContact CE-CD2 3.92Å; M573-F641 HydrophobicContact CE-CE1 4.11Å; M573-F641 HydrophobicContact CE-CG 3.25Å; M573-F641 HydrophobicContact CG-CB 4.06Å; M573-F641 HydrophobicContact CG-CD2 4.38Å; M573-F641 HydrophobicContact CG-CG 4.36Å; M573-F641 HydrophobicContact SD-CB 3.5Å; M573-F641 WeakPolarHBondContact SD-CB 3.2Å; M573-F641 HydrophobicContact SD-CG 4.05Å; W586-F641 HydrophobicContact CD2-CE1 4.16Å; W586-F641 AromaticContact CD2-CZ 3.67Å; W586-F641 HydrophobicContact CD2-CZ 3.67Å; W586-F641 AromaticContact CE2-CE1 3.88Å; W586-F641 AromaticContact CE2-CZ 3.57Å; W586-F641 AromaticContact CE3-CZ 3.81Å; W586-F641 HydrophobicContact CE3-CZ 3.81Å; W586-F641 HydrophobicContact CG-CE1 4.46Å; W586-F641 HydrophobicContact CG-CZ 4.35Å; W586-F641 HydrophobicContact CH2-CE2 4.36Å; W586-F641 AromaticContact CH2-CZ 3.76Å; W586-F641 HydrophobicContact CH2-CZ 3.76Å; W586-F641 HydrophobicContact CZ2-CE1 4.22Å; W586-F641 AromaticContact CZ2-CZ 3.65Å; W586-F641 HydrophobicContact CZ2-CZ 3.65Å; W586-F641 HydrophobicContact CZ3-CE2 4.4Å; W586-F641 AromaticContact CZ3-CZ 3.86Å; W586-F641 HydrophobicContact CZ3-CZ 3.86Å; W586-F641 AromaticContact NE1-CE1 3.98Å; F590-F641 HydrophobicContact CE2-CE2 4.33Å; F590-F641 AromaticContact CE2-CZ 3.94Å; F590-F641 HydrophobicContact CE2-CZ 3.94Å; F590-F641 AromaticContact CZ-CE2 3.65Å; F590-F641 HydrophobicContact CZ-CE2 3.65Å; F590-F641 AromaticContact CZ-CZ 3.69Å; F590-F641 HydrophobicContact CZ-CZ 3.69Å; I614-F641 HydrophobicContact CD1-CE2 4.26Å; I639-F641 HydrophobicContact CD1-CE2 4.27Å; F641-I648 HydrophobicContact CD1-CG2 4.04Å; F641-M649 WeakPolarHBondContact CA-O 3.23Å; F641-P650 HydrophobicContact CD1-CB 4.21Å; F641-P650 HydrophobicContact CE1-CB 3.88Å; F641-P650 HydrophobicContact CE1-CG 4.24Å; F641-P650 HydrophobicContact CE2-CB 4.46Å; F641-P650 HydrophobicContact CZ-CB 4.01Å
642	V	93.5	Very high	86.4	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.1	176.9	-57.5	0	0	0	0	110.7	T561 E565 F644 I648 M649 Q651	T561-V642 HydrophobicContact CG2-CG1 3.43Å; T561-V642 VanDerWaalsContact CG2-CG1 3.43Å; E565-V642 HydrophobicContact CB-CB 4.18Å; E565-V642 HydrophobicContact CB-CG1 3.79Å; E565-V642 HydrophobicContact CB-CG2 4.38Å; V642-F644 HydrophobicContact CG2-CB 4.2Å; V642-F644 PolarHBondContact O-N 3.29Å; V642-I648 WeakPolarHBondContact O-CA 3.05Å; V642-M649 HydrophobicContact CG2-CG 4.21Å; V642-M649 PolarHBondContact N-O 3.38Å; V642-M649 PolarHBondContact O-N 2.8Å; V642-Q651 HydrophobicContact CG2-CB 4.49Å; V642-Q651 VanDerWaalsContact CG2-CD 3.4Å; V642-Q651 HydrophobicContact CG2-CG 3.84Å
643	N	89.4	Confident	87.3	Confident	90 Å²	90	42.2 Å²	42.2	48%	0.481	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	79.4	174.1	-175.5	-3.1	0	0	0	109.2	I568 K645 S646	I568-N643 HydrophobicContact CD1-CB 4.14Å; N643-K645 PolarHBondContact O-N 2.77Å; N643-S646 WeakPolarHBondContact OD1-CA 3.41Å; N643-S646 PolarHBondContact OD1-N 3.39Å
644	F	84.3	Confident	87.9	Confident	68 Å²	68	41.1 Å²	41.1	30%	0.298	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	108.5	-179	-171.1	-103.3	0	0	0	110.1	E565 V642 S646 F647 M649	E565-F644 WeakPolarHBondContact OE1-CD2 3.13Å; E565-F644 WeakPolarHBondContact OE1-CE2 3.06Å; V642-F644 HydrophobicContact CG2-CB 4.2Å; V642-F644 PolarHBondContact O-N 3.29Å; F644-S646 PolarHBondContact O-N 3.22Å; F644-F647 PolarHBondContact N-O 2.04Å; F644-F647 PolarHBondContact O-N 3.26Å; F644-M649 HydrophobicContact CB-CE 4.19Å; F644-M649 HydrophobicContact CB-CG 4.29Å; F644-M649 HydrophobicContact CB-SD 4.05Å; F644-M649 HydrophobicContact CD1-CE 4.19Å; F644-M649 HydrophobicContact CD1-SD 4.35Å
645	K	84.2	Confident	88.3	Confident	162 Å²	162	44.9 Å²	44.9	70%	0.704	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	45.7	179	-56	179.2	-180	177	0	113.5	N643 F647	N643-K645 PolarHBondContact O-N 2.77Å; K645-F647 WeakPolarHBondContact O-CD2 3.31Å; K645-F647 PolarHBondContact O-N 2.94Å
646	S	80.8	Confident	88.7	Confident	112 Å²	112	43.1 Å²	43.1	78%	0.783	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	6.5	-176.3	-50.9	0	0	0	0	115.2	N643 F644	N643-S646 WeakPolarHBondContact OD1-CA 3.41Å; N643-S646 PolarHBondContact OD1-N 3.39Å; F644-S646 PolarHBondContact O-N 3.22Å
647	F	82.7	Confident	88.9	Confident	141 Å²	141	40.8 Å²	40.8	62%	0.618	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.5	169.4	-67	-84.8	0	0	0	110.1	F644 K645 M649	F644-F647 PolarHBondContact N-O 2.04Å; F644-F647 PolarHBondContact O-N 3.26Å; K645-F647 WeakPolarHBondContact O-CD2 3.31Å; K645-F647 PolarHBondContact O-N 2.94Å; F647-M649 HydrophobicContact CB-CE 3.84Å; F647-M649 PolarHBondContact O-N 3.42Å
648	I	86.9	Confident	88.7	Confident	55 Å²	55	43.9 Å²	43.9	28%	0.282	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	114.4	169.2	-63.1	172.6	0	0	0	107.3	I568 M573 Y576 F641 V642	I568-I648 HydrophobicContact CD1-CG2 4.43Å; M573-I648 HydrophobicContact CE-CG2 3.3Å; M573-I648 HydrophobicContact SD-CG2 4.18Å; Y576-I648 HydrophobicContact CD1-CD1 3.65Å; Y576-I648 HydrophobicContact CD2-CD1 3.65Å; Y576-I648 HydrophobicContact CE1-CD1 3.56Å; Y576-I648 HydrophobicContact CE2-CD1 3.55Å; Y576-I648 HydrophobicContact CG-CD1 3.7Å; F641-I648 HydrophobicContact CD1-CG2 4.04Å; V642-I648 WeakPolarHBondContact O-CA 3.05Å
649	M	87.5	Confident	88.3	Confident	64 Å²	64	43.9 Å²	43.9	32%	0.315	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.2	-179.7	64.4	177.7	66	0	0	112.5	F641 V642 F644 F647	F641-M649 WeakPolarHBondContact CA-O 3.23Å; V642-M649 HydrophobicContact CG2-CG 4.21Å; V642-M649 PolarHBondContact N-O 3.38Å; V642-M649 PolarHBondContact O-N 2.8Å; F644-M649 HydrophobicContact CB-CE 4.19Å; F644-M649 HydrophobicContact CB-CG 4.29Å; F644-M649 HydrophobicContact CB-SD 4.05Å; F644-M649 HydrophobicContact CD1-CE 4.19Å; F644-M649 HydrophobicContact CD1-SD 4.35Å; F647-M649 HydrophobicContact CB-CE 3.84Å; F647-M649 PolarHBondContact O-N 3.42Å
650	P	91	Very high	87.8	Confident	17 Å²	17	46 Å²	46	11%	0.11	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	141.6	172	31.7	-37.8	0	0	0	111	W586 D631 I633 I639 C640 F641	W586-P650 HydrophobicContact CZ2-CB 3.84Å; W586-P650 HydrophobicContact CZ2-CG 3.75Å; D631-P650 VanDerWaalsContact OD2-CG 3.23Å; D631-P650 WeakPolarHBondContact OD2-CG 3.08Å; I633-P650 HydrophobicContact CG2-CB 3.62Å; I633-P650 HydrophobicContact CG2-CG 3.61Å; I639-P650 HydrophobicContact CD1-CB 3.84Å; C640-P650 CarbonylContact O-C 3.48Å; C640-P650 WeakPolarHBondContact O-CA 3.45Å; F641-P650 HydrophobicContact CD1-CB 4.21Å; F641-P650 HydrophobicContact CE1-CB 3.88Å; F641-P650 HydrophobicContact CE1-CG 4.24Å; F641-P650 HydrophobicContact CE2-CB 4.46Å; F641-P650 HydrophobicContact CZ-CB 4.01Å
651	Q	91.2	Very high	87.2	Confident	16 Å²	16	48.8 Å²	48.8	8%	0.075	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141.6	172.6	-74	-171.3	3.7	0	0	111	T561 Y563 I639 C640 V642	T561-Q651 HydrophobicContact CG2-CB 3.51Å; T561-Q651 HydrophobicContact CG2-CG 4.43Å; T561-Q651 PolarHBondContact OG1-OE1 2.79Å; Y563-Q651 HydrophobicContact CD2-CG 4.41Å; Y563-Q651 VanDerWaalsContact CD2-OE1 3.28Å; Y563-Q651 HydrophobicContact CE2-CG 4.37Å; I639-Q651 CarbonylContact C-O 3.54Å; I639-Q651 VanDerWaalsContact CA-O 3.3Å; I639-Q651 WeakPolarHBondContact CA-O 3.22Å; I639-Q651 WeakPolarHBondContact CB-O 3.29Å; C640-Q651 PolarHBondContact N-O 2.71Å; C640-Q651 PolarHBondContact O-N 3Å; C640-Q651 VanDerWaalsContact O-O 3.12Å; V642-Q651 HydrophobicContact CG2-CB 4.49Å; V642-Q651 VanDerWaalsContact CG2-CD 3.4Å; V642-Q651 HydrophobicContact CG2-CG 3.84Å
652	P	92.2	Very high	86.8	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.019	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	144.5	177.3	28.6	-36.8	0	0	0	112.2	I562 I633 K636	I562-P652 HydrophobicContact CD1-CB 3.9Å; I562-P652 HydrophobicContact CD1-CG 3.47Å; I562-P652 VanDerWaalsContact CD1-CG 3.47Å; I562-P652 HydrophobicContact CG1-CG 4.11Å; I562-P652 WeakPolarHBondContact CG1-O 3.5Å; I562-P652 PolarHBondContact N-O 3.27Å; I633-P652 HydrophobicContact CD1-CG 4.34Å; K636-P652 HydrophobicContact CB-CB 4.07Å; K636-P652 HydrophobicContact CD-CG 4.39Å
653	C	93.5	Very high	86.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.265	C	S	.	.			trans	-99.9	-13.1	179.5	-65.1	0	0	0	0	114.5	K558 I562 C611 P638	K558-C653 HydrophobicContact CD-CB 4.41Å; K558-C653 WeakPolarHBondContact CD-O 3.35Å; K558-C653 WeakPolarHBondContact CE-O 3.43Å; K558-C653 PolarHBondContact NZ-O 2.86Å; I562-C653 VanDerWaalsContact CG2-O 3.31Å; I562-C653 WeakPolarHBondContact CG2-O 3.46Å; C611-C653 HydrophobicContact CB-CB 3.48Å; C611-C653 VanDerWaalsContact CB-CB 3.48Å; C611-C653 WeakPolarHBondContact CB-SG 3.33Å; C611-C653 WeakPolarHBondContact SG-CB 3.41Å; C611-C653 CovalentContact SG-SG 2.01Å; C611-C653 PolarHBondContact SG-SG 3.16Å; P638-C653 WeakPolarHBondContact O-CB 3.31Å; P638-C653 PolarHBondContact O-N 3.16Å
654	F	91	Very high	86.1	Confident	6 Å²	6	55.1 Å²	55.1	3%	0.026	28%	0.276	C	S	.	.			trans	-125.8	146.7	-178.7	-69	-92.7	0	0	0	111.9	L541 F542 I544 M549 Y554 K558 I562 P638	L541-F654 HydrophobicContact CB-CE1 4.22Å; L541-F654 HydrophobicContact CD2-CE1 4.03Å; L541-F654 HydrophobicContact CD2-CZ 4.32Å; L541-F654 HydrophobicContact CG-CE1 4Å; L541-F654 WeakPolarHBondContact O-CE1 3.48Å; F542-F654 WeakPolarHBondContact O-CD1 3.11Å; I544-F654 HydrophobicContact CD1-CB 3.7Å; I544-F654 HydrophobicContact CD1-CD1 3.66Å; I544-F654 HydrophobicContact CD1-CD2 3.52Å; I544-F654 HydrophobicContact CD1-CE1 4.14Å; I544-F654 HydrophobicContact CD1-CE2 4.03Å; I544-F654 HydrophobicContact CD1-CG 3.32Å; I544-F654 HydrophobicContact CD1-CZ 4.32Å; I544-F654 HydrophobicContact CG1-CB 4.13Å; I544-F654 HydrophobicContact CG1-CD1 3.71Å; I544-F654 HydrophobicContact CG1-CD2 4.48Å; I544-F654 HydrophobicContact CG1-CE1 4.23Å; I544-F654 HydrophobicContact CG1-CG 3.85Å; M549-F654 HydrophobicContact CE-CB 4.16Å; M549-F654 HydrophobicContact SD-CB 4.31Å; Y554-F654 HydrophobicContact CD1-CE2 4.19Å; Y554-F654 HydrophobicContact CD1-CZ 4.49Å; Y554-F654 HydrophobicContact CD2-CE2 4.09Å; Y554-F654 AromaticContact CD2-CZ 3.87Å; Y554-F654 HydrophobicContact CD2-CZ 3.87Å; Y554-F654 HydrophobicContact CE1-CE2 4.09Å; Y554-F654 HydrophobicContact CE1-CZ 4.07Å; Y554-F654 HydrophobicContact CE2-CE1 4.29Å; Y554-F654 HydrophobicContact CE2-CE2 4Å; Y554-F654 AromaticContact CE2-CZ 3.39Å; Y554-F654 HydrophobicContact CE2-CZ 3.39Å; Y554-F654 HydrophobicContact CG-CE2 4.19Å; Y554-F654 HydrophobicContact CG-CZ 4.39Å; Y554-F654 AromaticContact CZ-CE2 4Å; Y554-F654 AromaticContact CZ-CZ 3.51Å; K558-F654 HydrophobicContact CB-CZ 4.11Å; K558-F654 HydrophobicContact CD-CD1 4.22Å; K558-F654 HydrophobicContact CD-CD2 4.31Å; K558-F654 HydrophobicContact CD-CE1 3.6Å; K558-F654 HydrophobicContact CD-CE2 3.69Å; K558-F654 HydrophobicContact CD-CZ 3.28Å; K558-F654 HydrophobicContact CG-CZ 4.32Å; I562-F654 VanDerWaalsContact CG2-C 3.49Å; P638-F654 HydrophobicContact CB-CD2 3.88Å; P638-F654 HydrophobicContact CB-CE2 4Å; P638-F654 HydrophobicContact CG-CD2 3.97Å; P638-F654 HydrophobicContact CG-CE2 4.19Å
655	R	86.3	Confident	86.1	Confident	80 Å²	80	56.7 Å²	56.7	30%	0.302	29%	0.288	S	S	.	.			trans	-89.1	153.1	160.4	-56.6	-167.4	-177.6	157.7	7.3	107.2	C543 I544 I562 D659 E663 F681	C543-R655 WeakPolarHBondContact CA-O 3.24Å; I544-R655 PolarHBondContact N-O 3.06Å; I562-R655 HydrophobicContact CB-CG 4.29Å; I562-R655 HydrophobicContact CD1-CG 4.45Å; I562-R655 HydrophobicContact CG2-CG 3.93Å; I562-R655 PolarHBondContact O-NH2 3.15Å; R655-D659 HydrophobicContact CB-CB 4.45Å; R655-E663 WeakPolarHBondContact CD-OE2 3.32Å; R655-E663 IonicContact CZ-OE2 3.39Å; R655-E663 IonicContact NE-OE2 3.6Å; R655-E663 IonicContact NH1-OE2 2.65Å; R655-E663 PolarHBondContact NH1-OE2 3.12Å; R655-F681 HydrophobicContact CG-CE2 4.05Å; R655-F681 VanDerWaalsContact NE-CD2 3.35Å
656	T	85.9	Confident	86.1	Confident	8 Å²	8	54.1 Å²	54.1	5%	0.049	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-64.5	146.5	166.3	69.6	0	0	0	0	108.8	I544 R546 M549 E658 D659 M660	I544-T656 CarbonylContact O-C 3.49Å; I544-T656 VanDerWaalsContact O-CA 3.23Å; I544-T656 WeakPolarHBondContact O-CA 3.18Å; R546-T656 HydrophobicContact CB-CG2 4.24Å; R546-T656 HydrophobicContact CG-CG2 4.44Å; R546-T656 PolarHBondContact NH2-OG1 2.92Å; R546-T656 VanDerWaalsContact NH2-OG1 3.1Å; M549-T656 HydrophobicContact CE-CG2 3.71Å; T656-E658 VanDerWaalsContact CB-OE2 3.27Å; T656-E658 WeakPolarHBondContact CB-OE2 3.35Å; T656-E658 PolarHBondContact O-N 3.49Å; T656-D659 PolarHBondContact O-N 3.5Å; T656-D659 WeakPolarHBondContact OG1-CB 3.42Å; T656-D659 PolarHBondContact OG1-N 3.27Å; T656-D659 VanDerWaalsContact OG1-N 3.1Å; T656-D659 PolarHBondContact OG1-OD2 2.86Å; T656-M660 PolarHBondContact O-N 3.39Å
657	C	85.1	Confident	86.3	Confident	32 Å²	32	52.1 Å²	52.1	22%	0.216	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-29.7	178.3	-68.5	0	0	0	0	111.5	C543 I544 M660 S661	C543-C657 HydrophobicContact CB-CB 3.88Å; C543-C657 WeakPolarHBondContact CB-SG 3.23Å; C543-C657 WeakPolarHBondContact SG-CA 3.09Å; C543-C657 WeakPolarHBondContact SG-CB 3.01Å; C543-C657 CovalentContact SG-SG 2.04Å; C543-C657 PolarHBondContact SG-SG 3.04Å; I544-C657 VanDerWaalsContact C-SG 3.57Å; I544-C657 PolarHBondContact N-SG 2.87Å; I544-C657 PolarHBondContact O-N 3.37Å; I544-C657 VanDerWaalsContact O-N 3.08Å; C657-M660 PolarHBondContact O-N 2.91Å; C657-S661 WeakPolarHBondContact O-CB 3.09Å; C657-S661 PolarHBondContact O-N 2.78Å
658	E	82.8	Confident	86.4	Confident	64 Å²	64	48.1 Å²	48.1	30%	0.299	25%	0.251	S	S	.	.	H	α-helix	trans	-64.4	-46.2	171	-54.7	92.8	140.8	0	0	111.9	R546 T656 M660 S661 I662	R546-E658 WeakPolarHBondContact CB-OE1 3.18Å; R546-E658 PolarHBondContact N-OE1 3.13Å; R546-E658 PolarHBondContact N-OE2 3.31Å; T656-E658 VanDerWaalsContact CB-OE2 3.27Å; T656-E658 WeakPolarHBondContact CB-OE2 3.35Å; T656-E658 PolarHBondContact O-N 3.49Å; E658-M660 VanDerWaalsContact C-N 3.34Å; E658-M660 PolarHBondContact O-N 3.43Å; E658-S661 PolarHBondContact O-N 2.84Å; E658-I662 WeakPolarHBondContact O-CB 3.34Å; E658-I662 WeakPolarHBondContact O-CD1 3.15Å; E658-I662 WeakPolarHBondContact O-CG1 3.18Å; E658-I662 PolarHBondContact O-N 2.94Å
659	D	83.9	Confident	86	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-64.5	-38.7	176.1	-69.5	-40.4	0	0	0	112.1	R546 R655 T656 I662 E663 Y678 T679	R546-D659 IonicContact NH2-OD1 3.83Å; R655-D659 HydrophobicContact CB-CB 4.45Å; T656-D659 PolarHBondContact O-N 3.5Å; T656-D659 WeakPolarHBondContact OG1-CB 3.42Å; T656-D659 PolarHBondContact OG1-N 3.27Å; T656-D659 VanDerWaalsContact OG1-N 3.1Å; T656-D659 PolarHBondContact OG1-OD2 2.86Å; D659-I662 PolarHBondContact O-N 3.16Å; D659-E663 WeakPolarHBondContact O-CB 3.3Å; D659-E663 VanDerWaalsContact O-CG 3.31Å; D659-E663 WeakPolarHBondContact O-CG 3.45Å; D659-E663 PolarHBondContact O-N 3.37Å; D659-Y678 HydrophobicContact CB-CD2 4.46Å; D659-Y678 HydrophobicContact CB-CE2 4.38Å; D659-Y678 WeakPolarHBondContact OD1-CA 3.49Å; D659-Y678 VanDerWaalsContact OD1-CD2 3.22Å; D659-Y678 WeakPolarHBondContact OD1-CD2 3.21Å; D659-T679 PolarHBondContact OD1-N 3.23Å; D659-T679 PolarHBondContact OD2-N 2.87Å; D659-T679 PolarHBondContact OD2-OG1 2.7Å
660	M	83.7	Confident	85.8	Confident	44 Å²	44	55.8 Å²	55.8	22%	0.217	29%	0.29	C	S	.	.	H	α-helix	trans	-61.7	-48.6	175.8	-175.4	171.1	-75.6	0	0	110.7	F542 C543 T656 C657 E658 I662 E663 E664	F542-M660 HydrophobicContact CB-CE 4.34Å; C543-M660 HydrophobicContact CB-CB 4.46Å; C543-M660 HydrophobicContact CB-CE 3.82Å; C543-M660 HydrophobicContact CB-SD 3.86Å; T656-M660 PolarHBondContact O-N 3.39Å; C657-M660 PolarHBondContact O-N 2.91Å; E658-M660 VanDerWaalsContact C-N 3.34Å; E658-M660 PolarHBondContact O-N 3.43Å; M660-I662 PolarHBondContact O-N 2.74Å; M660-E663 PolarHBondContact O-N 2.78Å; M660-E664 WeakPolarHBondContact O-CB 3.35Å; M660-E664 WeakPolarHBondContact O-CG 3.45Å; M660-E664 PolarHBondContact O-N 3.17Å
661	S	83	Confident	85.2	Confident	59 Å²	59	59.6 Å²	59.6	41%	0.413	32%	0.323	S	S	.	.	H	α-helix	trans	-60.2	-41.6	174.7	-179.7	0	0	0	0	112.9	C657 E658 E663 N665	C657-S661 WeakPolarHBondContact O-CB 3.09Å; C657-S661 PolarHBondContact O-N 2.78Å; E658-S661 PolarHBondContact O-N 2.84Å; S661-E663 VanDerWaalsContact C-N 3.33Å; S661-E663 PolarHBondContact O-N 3.3Å; S661-N665 WeakPolarHBondContact O-CB 2.98Å; S661-N665 PolarHBondContact O-N 3.22Å; S661-N665 PolarHBondContact O-ND2 3.27Å; S661-N665 PolarHBondContact OG-ND2 2.96Å
662	I	84.6	Confident	84.5	Confident	25 Å²	25	60.5 Å²	60.5	13%	0.128	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-37.3	176.9	-70.7	163.4	0	0	0	111.6	E658 D659 M660 N666 C667 I668 Y678	E658-I662 WeakPolarHBondContact O-CB 3.34Å; E658-I662 WeakPolarHBondContact O-CD1 3.15Å; E658-I662 WeakPolarHBondContact O-CG1 3.18Å; E658-I662 PolarHBondContact O-N 2.94Å; D659-I662 PolarHBondContact O-N 3.16Å; M660-I662 PolarHBondContact O-N 2.74Å; I662-N666 CarbonylContact O-C 3.58Å; I662-N666 WeakPolarHBondContact O-CA 3.07Å; I662-N666 PolarHBondContact O-N 3.01Å; I662-C667 WeakPolarHBondContact CA-O 3.43Å; I662-C667 PolarHBondContact O-N 3.32Å; I662-I668 HydrophobicContact CD1-CG1 4.05Å; I662-I668 HydrophobicContact CG1-CG1 4.05Å; I662-I668 HydrophobicContact CG2-CD1 4.45Å; I662-I668 HydrophobicContact CG2-CG1 3.73Å; I662-Y678 HydrophobicContact CB-CD2 4.18Å; I662-Y678 HydrophobicContact CB-CE2 4.33Å; I662-Y678 HydrophobicContact CD1-CD2 4.12Å; I662-Y678 HydrophobicContact CG2-CD2 3.67Å; I662-Y678 HydrophobicContact CG2-CE2 3.81Å; I662-Y678 HydrophobicContact CG2-CG 4.5Å
663	E	83	Confident	83.8	Confident	49 Å²	49	64.7 Å²	64.7	23%	0.229	35%	0.351	C	S	.	.	H	α-helix	trans	-74.8	-44.3	179.2	-75.1	175	168.7	0	0	112.5	R655 D659 M660 S661 N666 Y678 G680 F681	R655-E663 WeakPolarHBondContact CD-OE2 3.32Å; R655-E663 IonicContact CZ-OE2 3.39Å; R655-E663 IonicContact NE-OE2 3.6Å; R655-E663 IonicContact NH1-OE2 2.65Å; R655-E663 PolarHBondContact NH1-OE2 3.12Å; D659-E663 WeakPolarHBondContact O-CB 3.3Å; D659-E663 VanDerWaalsContact O-CG 3.31Å; D659-E663 WeakPolarHBondContact O-CG 3.45Å; D659-E663 PolarHBondContact O-N 3.37Å; M660-E663 PolarHBondContact O-N 2.78Å; S661-E663 VanDerWaalsContact C-N 3.33Å; S661-E663 PolarHBondContact O-N 3.3Å; E663-N666 PolarHBondContact O-N 2.82Å; E663-Y678 HydrophobicContact CG-CE2 3.96Å; E663-Y678 WeakPolarHBondContact CG-OH 3.49Å; E663-Y678 PolarHBondContact OE1-OH 3.2Å; E663-G680 VanDerWaalsContact OE1-CA 3.31Å; E663-G680 WeakPolarHBondContact OE1-CA 3.2Å; E663-F681 PolarHBondContact OE1-N 3.1Å
664	E	84.5	Confident	83	Confident	151 Å²	151	73.8 Å²	73.8	71%	0.706	39%	0.393	S	S	*	.	H	α-helix	trans	-63.9	-43.3	177.7	-73.2	177.7	176	0	0	111.9	M660	M660-E664 WeakPolarHBondContact O-CB 3.35Å; M660-E664 WeakPolarHBondContact O-CG 3.45Å; M660-E664 PolarHBondContact O-N 3.17Å
665	N	85.1	Confident	82	Confident	102 Å²	102	78.3 Å²	78.3	55%	0.545	42%	0.422	S	S	.	.	H	α-helix	trans	-84.2	-10.3	177.7	-63.3	-68.8	0	0	0	113.3	S661 C667	S661-N665 WeakPolarHBondContact O-CB 2.98Å; S661-N665 PolarHBondContact O-N 3.22Å; S661-N665 PolarHBondContact O-ND2 3.27Å; S661-N665 PolarHBondContact OG-ND2 2.96Å; N665-C667 VanDerWaalsContact CB-SG 3.59Å; N665-C667 PolarHBondContact O-N 2.91Å; N665-C667 VanDerWaalsContact O-N 3.15Å
666	N	84.1	Confident	81	Confident	107 Å²	107	75.8 Å²	75.8	57%	0.572	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	31.3	-173.3	-171.2	15.6	0	0	0	113.4	I662 E663 R682	I662-N666 CarbonylContact O-C 3.58Å; I662-N666 WeakPolarHBondContact O-CA 3.07Å; I662-N666 PolarHBondContact O-N 3.01Å; E663-N666 PolarHBondContact O-N 2.82Å; N666-R682 PolarHBondContact OD1-NH1 3.26Å; N666-R682 PolarHBondContact OD1-NH2 2.93Å
667	C	85.3	Confident	80.2	Confident	70 Å²	70	78.1 Å²	78.1	47%	0.473	43%	0.432	S	S	.	.			trans	-149.9	154.2	-178	69.4	0	0	0	0	112.2	I662 N665	I662-C667 WeakPolarHBondContact CA-O 3.43Å; I662-C667 PolarHBondContact O-N 3.32Å; N665-C667 VanDerWaalsContact CB-SG 3.59Å; N665-C667 PolarHBondContact O-N 2.91Å; N665-C667 VanDerWaalsContact O-N 3.15Å
668	I	84.2	Confident	79.6	Confident	58 Å²	58	79.8 Å²	79.8	30%	0.297	43%	0.434	S	S	.	.			trans	-108.9	134.1	167.3	-55.6	177.5	0	0	0	106.7	I662 N670 I673 A676	I662-I668 HydrophobicContact CD1-CG1 4.05Å; I662-I668 HydrophobicContact CG1-CG1 4.05Å; I662-I668 HydrophobicContact CG2-CD1 4.45Å; I662-I668 HydrophobicContact CG2-CG1 3.73Å; I668-N670 PolarHBondContact O-N 3.13Å; I668-I673 HydrophobicContact CG2-CB 4.23Å; I668-I673 HydrophobicContact CG2-CG1 4.36Å; I668-A676 HydrophobicContact CG2-CB 3.7Å
669	E	78.9	Confident	78.9	Confident	134 Å²	134	79.3 Å²	79.3	63%	0.626	44%	0.435	S	S	*	.			trans	-62.6	135.5	178.3	-63.2	-172.6	164.9	0	0	111.2	A671 T672 I673	E669-A671 PolarHBondContact O-N 2.91Å; E669-A671 VanDerWaalsContact O-N 3.11Å; E669-T672 PolarHBondContact O-N 2.71Å; E669-T672 PolarHBondContact O-OG1 3.14Å; E669-I673 PolarHBondContact O-N 2.8Å
670	N	82	Confident	78.2	Confident	145 Å²	145	80.1 Å²	80.1	78%	0.775	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.1	-177.7	-170.4	53	0	0	0	113.2	I668 I673	I668-N670 PolarHBondContact O-N 3.13Å; N670-I673 WeakPolarHBondContact O-CG2 3.38Å
671	A	78.7	Confident	77.3	Confident	97 Å²	97	80.8 Å²	80.8	80%	0.802	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-26.5	175.3	0	0	0	0	0	113.3	E669	E669-A671 PolarHBondContact O-N 2.91Å; E669-A671 VanDerWaalsContact O-N 3.11Å
672	T	76.1	Confident	77	Confident	35 Å²	35	84 Å²	84	22%	0.215	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-9.9	-177.6	60.2	0	0	0	0	113.2	E669 Q674 T675 A676	E669-T672 PolarHBondContact O-N 2.71Å; E669-T672 PolarHBondContact O-OG1 3.14Å; T672-Q674 PolarHBondContact O-N 2.89Å; T672-T675 CarbonylContact O-C 3.58Å; T672-T675 PolarHBondContact O-N 3.49Å; T672-T675 PolarHBondContact O-OG1 3.37Å; T672-A676 VanDerWaalsContact O-CB 3.24Å; T672-A676 WeakPolarHBondContact O-CB 2.66Å; T672-A676 PolarHBondContact O-N 2.82Å
673	I	78.9	Confident	76.5	Confident	91 Å²	91	88.1 Å²	88.1	47%	0.467	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-26.5	-173.4	-163.9	161.7	0	0	0	116	I668 E669 N670	I668-I673 HydrophobicContact CG2-CB 4.23Å; I668-I673 HydrophobicContact CG2-CG1 4.36Å; E669-I673 PolarHBondContact O-N 2.8Å; N670-I673 WeakPolarHBondContact O-CG2 3.38Å
674	Q	75	Confident	76.5	Confident	192 Å²	192	91.1 Å²	91.1	90%	0.897	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-18.9	176.6	-65.5	-171.4	-5.7	0	0	114.1	T672	T672-Q674 PolarHBondContact O-N 2.89Å
675	T	70.8	Confident	76.4	Confident	101 Å²	101	86.7 Å²	86.7	62%	0.62	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-15.2	-178.5	55.3	0	0	0	0	113.1	T672 V677	T672-T675 CarbonylContact O-C 3.58Å; T672-T675 PolarHBondContact O-N 3.49Å; T672-T675 PolarHBondContact O-OG1 3.37Å; T675-V677 PolarHBondContact O-N 3.17Å; T675-V677 VanDerWaalsContact O-N 3.13Å
676	A	65.9	Low	76.4	Confident	26 Å²	26	91.5 Å²	91.5	22%	0.215	49%	0.489	C	S	.	.			trans	-69.5	103.8	179.3	0	0	0	0	0	111.1	I668 T672 Y678	I668-A676 HydrophobicContact CG2-CB 3.7Å; T672-A676 VanDerWaalsContact O-CB 3.24Å; T672-A676 WeakPolarHBondContact O-CB 2.66Å; T672-A676 PolarHBondContact O-N 2.82Å; A676-Y678 PolarHBondContact O-N 3.34Å
677	V	68.7	Low	76.6	Confident	57 Å²	57	91.5 Å²	91.5	35%	0.345	49%	0.493	S	S	.	.			trans	-80	101.9	167.5	-173.3	0	0	0	0	108.1	H188 R546 T675 T679	H188-V677 VanDerWaalsContact CE1-CG2 3.44Å; H188-V677 WeakPolarHBondContact CE1-CG2 3.03Å; R546-V677 PolarHBondContact NH1-O 3.46Å; R546-V677 PolarHBondContact NH2-O 3.49Å; T675-V677 PolarHBondContact O-N 3.17Å; T675-V677 VanDerWaalsContact O-N 3.13Å; V677-T679 HydrophobicContact CG1-CG2 3.81Å
678	Y	73.1	Confident	76.3	Confident	68 Å²	68	90.3 Å²	90.3	27%	0.267	49%	0.492	S	S	.	.			trans	-82.1	120.2	172.7	175.7	-109.9	0	0	0	109.9	D659 I662 E663 A676 G680 F681 R682	D659-Y678 HydrophobicContact CB-CD2 4.46Å; D659-Y678 HydrophobicContact CB-CE2 4.38Å; D659-Y678 WeakPolarHBondContact OD1-CA 3.49Å; D659-Y678 VanDerWaalsContact OD1-CD2 3.22Å; D659-Y678 WeakPolarHBondContact OD1-CD2 3.21Å; I662-Y678 HydrophobicContact CB-CD2 4.18Å; I662-Y678 HydrophobicContact CB-CE2 4.33Å; I662-Y678 HydrophobicContact CD1-CD2 4.12Å; I662-Y678 HydrophobicContact CG2-CD2 3.67Å; I662-Y678 HydrophobicContact CG2-CE2 3.81Å; I662-Y678 HydrophobicContact CG2-CG 4.5Å; E663-Y678 HydrophobicContact CG-CE2 3.96Å; E663-Y678 WeakPolarHBondContact CG-OH 3.49Å; E663-Y678 PolarHBondContact OE1-OH 3.2Å; A676-Y678 PolarHBondContact O-N 3.34Å; Y678-G680 VanDerWaalsContact CZ-CA 3.45Å; Y678-G680 VanDerWaalsContact OH-C 3.26Å; Y678-G680 WeakPolarHBondContact OH-CA 2.87Å; Y678-F681 PolarHBondContact OH-N 2.84Å; Y678-R682 HydrophobicContact CE1-CB 3.7Å; Y678-R682 WeakPolarHBondContact OH-CB 3.27Å; Y678-R682 PolarHBondContact OH-N 3.46Å
679	T	67	Low	76.1	Confident	54 Å²	54	94.3 Å²	94.3	33%	0.331	51%	0.507	S	S	.	.			trans	-114.9	7.5	179.3	80.1	0	0	0	0	114.5	D659 V677	D659-T679 PolarHBondContact OD1-N 3.23Å; D659-T679 PolarHBondContact OD2-N 2.87Å; D659-T679 PolarHBondContact OD2-OG1 2.7Å; V677-T679 HydrophobicContact CG1-CG2 3.81Å
680	G	68.8	Low	76	Confident	18 Å²	18	95 Å²	95	19%	0.186	52%	0.523	C	S	.	.	S	Bend	trans	-74.9	-163.7	179.7	0	0	0	0	0	115.9	E663 Y678	E663-G680 VanDerWaalsContact OE1-CA 3.31Å; E663-G680 WeakPolarHBondContact OE1-CA 3.2Å; Y678-G680 VanDerWaalsContact CZ-CA 3.45Å; Y678-G680 VanDerWaalsContact OH-C 3.26Å; Y678-G680 WeakPolarHBondContact OH-CA 2.87Å
681	F	66.6	Low	75.7	Confident	58 Å²	58	92.5 Å²	92.5	25%	0.254	51%	0.511	S	S	.	.			trans	-105	15.4	-160.5	-61.1	-71.6	0	0	0	115.6	I562 Y563 R655 E663 Y678 T683	I562-F681 HydrophobicContact CB-CE2 4.31Å; I562-F681 HydrophobicContact CD1-CE1 4.28Å; I562-F681 HydrophobicContact CD1-CE2 3.57Å; I562-F681 HydrophobicContact CD1-CZ 3.23Å; I562-F681 HydrophobicContact CG1-CE1 4.29Å; I562-F681 HydrophobicContact CG1-CE2 3.82Å; I562-F681 HydrophobicContact CG1-CZ 3.55Å; Y563-F681 HydrophobicContact CD1-CD1 4.26Å; Y563-F681 HydrophobicContact CD1-CE1 4.32Å; Y563-F681 AromaticContact CE1-CD1 3.53Å; Y563-F681 HydrophobicContact CE1-CD1 3.53Å; Y563-F681 AromaticContact CE1-CE1 3.41Å; Y563-F681 HydrophobicContact CE1-CE1 3.41Å; Y563-F681 VanDerWaalsContact CE1-CE1 3.41Å; Y563-F681 HydrophobicContact CE1-CZ 4.46Å; Y563-F681 HydrophobicContact CE2-CE1 4.47Å; Y563-F681 AromaticContact CZ-CE1 3.53Å; Y563-F681 WeakPolarHBondContact OH-CE1 3.4Å; R655-F681 HydrophobicContact CG-CE2 4.05Å; R655-F681 VanDerWaalsContact NE-CD2 3.35Å; E663-F681 PolarHBondContact OE1-N 3.1Å; Y678-F681 PolarHBondContact OH-N 2.84Å; F681-T683 PolarHBondContact O-N 3.21Å
682	R	74.7	Confident	75.6	Confident	127 Å²	127	92.2 Å²	92.2	48%	0.479	50%	0.495	S	S	.	.			trans	-64.1	103.1	179.3	-170	179.7	-169.5	124.8	14.7	111.8	N666 Y678 Q684	N666-R682 PolarHBondContact OD1-NH1 3.26Å; N666-R682 PolarHBondContact OD1-NH2 2.93Å; Y678-R682 HydrophobicContact CE1-CB 3.7Å; Y678-R682 WeakPolarHBondContact OH-CB 3.27Å; Y678-R682 PolarHBondContact OH-N 3.46Å; R682-Q684 WeakPolarHBondContact CG-O 3.45Å; R682-Q684 PolarHBondContact NE-O 3.13Å
683	T	75.8	Confident	75.6	Confident	110 Å²	110	95.4 Å²	95.4	68%	0.675	51%	0.511	S	S	*	.			trans	-99	18.6	176.8	54.9	0	0	0	0	113.7	F681 P690	F681-T683 PolarHBondContact O-N 3.21Å; T683-P690 WeakPolarHBondContact O-CA 3.03Å
684	Q	82	Confident	75.4	Confident	112 Å²	112	95.6 Å²	95.6	52%	0.523	51%	0.513	S	S	.	.	S	Bend	trans	-145.8	135.3	177.9	-65.2	-175.5	4.4	0	0	112.2	R682 K689	R682-Q684 WeakPolarHBondContact CG-O 3.45Å; R682-Q684 PolarHBondContact NE-O 3.13Å; Q684-K689 CarbonylContact C-O 3.58Å; Q684-K689 WeakPolarHBondContact CA-O 3.33Å
685	T	83.8	Confident	75.4	Confident	59 Å²	59	89.6 Å²	89.6	36%	0.362	49%	0.489	S	S	.	.			trans	-58.9	163.8	168.6	64.7	0	0	0	0	112.5	T687 G688 K689	T685-T687 PolarHBondContact O-N 2.61Å; T685-T687 PolarHBondContact OG1-N 3.08Å; T685-T687 PolarHBondContact OG1-OG1 3.06Å; T685-T687 VanDerWaalsContact OG1-OG1 3.05Å; T685-G688 PolarHBondContact O-N 2.96Å; T685-K689 WeakPolarHBondContact CB-O 3.48Å; T685-K689 HydrophobicContact CG2-CB 4.4Å; T685-K689 PolarHBondContact N-O 2.9Å; T685-K689 WeakPolarHBondContact OG1-CB 3.49Å; T685-K689 PolarHBondContact OG1-N 3.01Å; T685-K689 VanDerWaalsContact OG1-N 3.15Å; T685-K689 PolarHBondContact OG1-O 3.14Å
686	K	85	Confident	75.7	Confident	202 Å²	202	88.9 Å²	88.9	88%	0.878	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-23.8	171.4	-176.2	174.5	178.6	177.1	0	113.5
687	T	86.5	Confident	76.4	Confident	108 Å²	108	93.4 Å²	93.4	66%	0.663	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	8.9	177.8	51.2	0	0	0	0	114.7	T685 K689	T685-T687 PolarHBondContact O-N 2.61Å; T685-T687 PolarHBondContact OG1-N 3.08Å; T685-T687 PolarHBondContact OG1-OG1 3.06Å; T685-T687 VanDerWaalsContact OG1-OG1 3.05Å; T687-K689 PolarHBondContact O-N 2.85Å
688	G	80.7	Confident	77	Confident	44 Å²	44	96.2 Å²	96.2	45%	0.454	51%	0.512	S	S	.	.	S	Bend	trans	73.4	2.2	179.7	0	0	0	0	0	115.2	T685	T685-G688 PolarHBondContact O-N 2.96Å
689	K	79	Confident	77.3	Confident	142 Å²	142	98.5 Å²	98.5	62%	0.617	53%	0.532	S	S	*	.			trans	-70.5	139	165.4	-56.6	178.1	-178.8	177.4	0	108.6	Q684 T685 T687	Q684-K689 CarbonylContact C-O 3.58Å; Q684-K689 WeakPolarHBondContact CA-O 3.33Å; T685-K689 WeakPolarHBondContact CB-O 3.48Å; T685-K689 HydrophobicContact CG2-CB 4.4Å; T685-K689 PolarHBondContact N-O 2.9Å; T685-K689 WeakPolarHBondContact OG1-CB 3.49Å; T685-K689 PolarHBondContact OG1-N 3.01Å; T685-K689 VanDerWaalsContact OG1-N 3.15Å; T685-K689 PolarHBondContact OG1-O 3.14Å; T687-K689 PolarHBondContact O-N 2.85Å
690	P	77.8	Confident	78.2	Confident	148 Å²	148	102.5 Å²	102.5	96%	0.961	55%	0.55	S	S	*	*			trans	-49.7	0	166	-24.7	34.8	0	0	0	112	T683	T683-P690 WeakPolarHBondContact O-CA 3.03Å

Retrieved 690 of 690 residues in 279.7 ms (Link to these results)

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